#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 3.34 -0.26 0.00 2.01 -1.26 -3.98 115.64 115.49 1afp s THR 2 Ca 0.00 1.28 -0.06 0.00 0.31 0.00 0.00 61.69 63.22 1afp s THR 2 Cb 0.00 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1afp s THR 2 CO 0.00 0.25 0.03 -0.31 -0.69 0.00 0.00 174.62 173.91 1afp s TYR 3 N -1.25 3.07 0.30 4.92 1.51 -0.44 -4.89 117.35 120.57 1afp s TYR 3 Ca 0.48 -0.85 -0.14 0.00 -1.01 0.00 0.00 57.07 55.56 1afp s TYR 3 Cb -0.32 -2.20 -0.08 0.00 -0.11 0.00 0.00 41.96 39.25 1afp s TYR 3 CO 0.41 -0.52 0.69 -0.80 -1.11 0.00 0.00 175.55 174.22 1afp s ASN 4 N 1.51 6.74 0.00 2.29 0.02 -1.26 0.08 114.94 124.32 1afp s ASN 4 Ca 0.04 1.19 0.00 0.00 -1.02 0.00 0.00 52.86 53.07 1afp s ASN 4 Cb -0.16 -2.33 0.00 0.00 0.02 0.00 0.00 41.25 38.78 1afp s ASN 4 CO 0.01 -0.17 0.00 0.61 0.02 0.00 0.00 177.10 177.57 1afp n GLY 5 N -0.29 0.82 3.14 0.66 0.00 -0.28 -3.80 105.19 105.45 1afp n GLY 5 Ca 0.03 0.21 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 4.40 0.77 0.10 1.61 1.02 -0.41 -2.67 119.74 124.57 1afp s LYS 6 Ca 0.00 -1.22 0.04 0.00 0.02 0.00 0.00 55.97 54.81 1afp s LYS 6 Cb 0.00 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.53 1afp s LYS 6 CO 0.00 -0.20 -0.11 0.00 -0.92 0.00 0.00 175.35 174.12 1afp s TYR 8 N -2.46 2.73 -0.09 0.00 2.02 0.27 -1.95 117.35 117.87 1afp s TYR 8 Ca 0.07 -0.42 -0.23 0.00 -0.37 0.00 0.00 57.07 56.12 1afp s TYR 8 Cb -0.03 -1.72 -0.28 0.00 -0.40 0.00 0.00 41.96 39.53 1afp s TYR 8 CO 0.00 -0.02 0.76 1.57 -1.57 0.00 0.00 175.55 176.30 1afp h LYS 9 N 6.00 0.19 -0.30 -0.62 2.10 -1.79 1.97 116.57 124.11 1afp h LYS 9 Ca -0.36 -0.32 0.09 0.00 -2.00 0.00 0.00 60.65 58.05 1afp h LYS 9 Cb 1.18 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 1afp h LYS 9 CO 0.52 1.15 0.22 -0.22 -2.00 0.00 0.00 179.45 179.13 1afp h LYS 10 N -0.58 0.00 0.00 0.07 3.64 -1.94 0.06 116.57 117.82 1afp h LYS 10 Ca -0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1afp h LYS 10 Cb 1.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1afp h LYS 10 CO 0.07 0.00 -0.80 -0.25 -2.27 0.00 0.00 179.45 176.21 1afp n ASP 11 N -4.44 0.84 -3.85 4.20 10.43 -1.23 -5.01 116.55 117.49 1afp n ASP 11 Ca 0.04 -0.67 -0.37 0.00 2.57 0.00 0.00 54.79 56.36 1afp n ASP 11 Cb 0.39 1.11 0.03 0.00 1.84 0.00 0.00 41.12 44.48 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 -1.43 -4.61 -3.96 -2.24 4.05 0.64 -4.84 115.26 102.88 1afp n ASN 12 Ca 0.02 -1.13 -0.08 0.00 0.45 0.00 0.00 54.58 53.83 1afp n ASN 12 Cb 0.23 -2.71 -0.08 0.00 1.23 0.00 0.00 39.78 38.45 1afp n ASN 12 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1afp s ILE 13 N -3.52 0.15 -0.08 -1.44 -5.25 0.37 -1.64 121.20 109.80 1afp s ILE 13 Ca 0.46 -1.43 0.05 0.00 -0.99 0.00 0.00 60.65 58.73 1afp s ILE 13 Cb -0.20 -1.51 -0.00 0.00 2.95 0.00 0.00 42.46 43.69 1afp s ILE 13 CO 0.91 -0.68 -0.24 0.00 -1.79 0.00 0.00 174.94 173.14 1afp s LYS 15 N 0.14 1.80 0.00 0.00 0.00 0.33 0.19 119.74 122.20 1afp s LYS 15 Ca -0.12 -2.05 0.00 0.00 0.00 0.00 0.00 55.97 53.79 1afp s LYS 15 Cb -0.16 -0.86 0.00 0.00 0.00 0.00 0.00 37.83 36.81 1afp s LYS 15 CO 0.06 -0.30 0.00 2.48 0.00 0.00 0.00 175.35 177.60 1afp n TYR 16 N -0.82 0.00 -3.68 1.78 0.18 -0.73 -1.29 117.16 112.60 1afp n TYR 16 Ca -0.05 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.36 1afp n TYR 16 Cb 0.66 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.51 1afp n TYR 16 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1afp s LYS 17 N -0.35 3.85 1.04 -3.48 1.02 -1.25 -0.90 119.74 119.67 1afp s LYS 17 Ca 0.00 -0.38 -0.14 0.00 0.02 0.00 0.00 55.97 55.47 1afp s LYS 17 Cb 0.00 -3.51 0.21 0.00 -0.52 0.00 0.00 37.83 34.01 1afp s LYS 17 CO 0.00 -0.15 1.12 0.00 -0.92 0.00 0.00 175.35 175.41 1afp s ALA 18 N 1.59 1.08 0.29 5.17 0.00 -1.26 -4.82 121.76 123.82 1afp s ALA 18 Ca 0.07 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1afp s ALA 18 Cb -0.15 -3.01 0.55 0.00 0.00 0.00 0.00 23.12 20.51 1afp s ALA 18 CO 0.07 -2.93 1.86 0.37 0.00 0.00 0.00 175.76 175.14 1afp h GLN 19 N -2.00 0.97 -0.63 0.00 4.15 -1.98 -0.79 115.11 114.83 1afp h GLN 19 Ca -0.51 -0.06 0.08 0.00 0.77 0.00 0.00 58.65 58.94 1afp h GLN 19 Cb 1.32 -0.22 -0.07 0.00 0.21 0.00 0.00 27.48 28.72 1afp h GLN 19 CO 0.51 0.64 0.29 0.66 -1.93 0.00 0.00 178.83 179.01 1afp h SER 20 N 1.00 0.36 0.00 -0.69 4.64 -2.01 -3.46 113.55 113.40 1afp h SER 20 Ca 0.46 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1afp h SER 20 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1afp h SER 20 CO -0.22 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1afp n GLY 21 N -1.29 1.29 0.00 -0.77 0.00 -0.30 -5.08 105.19 99.03 1afp n GLY 21 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.52 1.61 4.81 -1.26 -4.72 118.16 115.08 1afp n LYS 22 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 1afp n LYS 22 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 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 -0.07 3.15 2.01 -1.26 -4.10 115.64 115.37 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 0.04 0.00 0.01 0.00 0.00 72.50 71.55 1afp s THR 23 CO 0.00 0.00 0.17 0.00 -0.69 0.00 0.00 174.62 174.10 1afp s ALA 24 N -1.41 -0.35 0.04 7.40 0.00 -0.07 -4.68 121.76 122.68 1afp s ALA 24 Ca -0.09 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.63 1afp s ALA 24 Cb -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1afp s ALA 24 CO 0.07 -0.16 0.06 0.42 0.00 0.00 0.00 175.76 176.15 1afp s ILE 25 N 1.11 4.51 -0.20 0.00 1.01 -1.26 -1.77 121.20 124.60 1afp s ILE 25 Ca -0.08 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 1afp s ILE 25 Cb -0.10 -3.11 0.08 0.00 0.01 0.00 0.00 42.46 39.33 1afp s ILE 25 CO -0.06 0.23 0.16 0.00 0.00 0.00 0.00 174.94 175.28 1afp n LYS 27 N 5.30 0.00 -3.56 0.00 4.01 -1.26 -1.15 118.16 121.50 1afp n LYS 27 Ca -0.06 0.00 -0.37 0.00 -0.51 0.00 0.00 58.31 57.37 1afp n LYS 27 Cb 0.49 -0.90 -0.08 0.00 -0.51 0.00 0.00 35.03 34.02 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1afp n TYR 29 N 4.20 0.00 0.00 0.00 4.11 -1.26 -4.76 117.16 119.45 1afp n TYR 29 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.78 1afp n TYR 29 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 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 0.00 0.00 -1.51 -3.48 0.31 -1.26 -3.50 118.33 108.89 1afp n VAL 30 Ca 0.00 0.45 -0.27 0.00 -0.01 0.00 0.00 64.34 64.50 1afp n VAL 30 Cb 0.00 -0.75 -0.16 0.00 -0.91 0.00 0.00 33.84 32.02 1afp n VAL 30 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1afp n LYS 31 N -0.40 0.20 -1.53 5.55 3.00 -1.26 -4.84 118.16 118.88 1afp n LYS 31 Ca 0.00 -0.14 -0.30 0.00 -0.00 0.00 0.00 58.31 57.87 1afp n LYS 31 Cb 0.00 -1.84 0.08 0.00 0.00 0.00 0.00 35.03 33.27 1afp n LYS 31 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1afp s LYS 32 N 8.02 2.38 0.32 1.64 2.20 -1.23 -4.58 119.74 128.50 1afp s LYS 32 Ca 1.23 0.79 -0.28 0.00 -0.36 0.00 0.00 55.97 57.36 1afp s LYS 32 Cb -0.78 -1.94 -0.09 0.00 -1.51 0.00 0.00 37.83 33.51 1afp s LYS 32 CO 0.44 -1.45 1.09 0.00 -0.36 0.00 0.00 175.35 175.07 1afp h PRO 34 N 3.39 0.59 -1.07 0.00 0.13 -1.90 -3.37 132.00 129.77 1afp h PRO 34 Ca -0.47 -0.57 0.23 0.00 -0.87 0.00 0.00 66.00 64.31 1afp h PRO 34 Cb 1.21 0.15 -0.29 0.00 0.13 0.00 0.00 31.00 32.20 1afp h PRO 34 CO 0.65 1.19 0.93 -0.98 -0.23 0.00 0.00 178.00 179.56 1afp s ARG 35 N -3.45 0.07 -0.03 0.86 1.70 -1.26 -4.81 118.95 112.03 1afp s ARG 35 Ca -0.08 0.03 -0.39 0.00 -0.47 0.00 0.00 55.73 54.82 1afp s ARG 35 Cb 0.08 0.03 -0.18 0.00 -0.57 0.00 0.00 34.95 34.32 1afp s ARG 35 CO 0.89 -0.02 1.32 -3.47 -1.08 0.00 0.00 175.30 172.94 1afp n ASP 36 N 0.81 1.17 0.00 -2.89 2.03 -1.25 0.41 116.55 116.82 1afp n ASP 36 Ca -0.03 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.41 1afp n ASP 36 Cb 0.58 -1.07 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 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 2.51 2.82 3.69 0.27 0.00 -0.82 -4.99 105.19 108.68 1afp n GLY 37 Ca 0.21 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.83 0.12 -1.75 4.61 0.00 0.16 -4.49 120.51 117.33 1afp n ALA 38 Ca 0.00 0.34 -0.37 0.00 0.00 0.00 0.00 53.44 53.41 1afp n ALA 38 Cb 0.00 -2.30 0.03 0.00 0.00 0.00 0.00 19.45 17.18 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 3.87 3.15 0.20 0.00 2.20 -1.26 0.11 119.74 128.00 1afp s LYS 39 Ca 0.98 1.99 -0.23 0.00 -0.36 0.00 0.00 55.97 58.35 1afp s LYS 39 Cb -0.98 -2.14 0.05 0.00 -1.51 0.00 0.00 37.83 33.25 1afp s LYS 39 CO 0.62 -1.11 0.78 0.00 -0.36 0.00 0.00 175.35 175.28 1afp s GLU 41 N -3.63 0.98 -0.33 0.00 1.03 -1.20 -1.12 118.70 114.42 1afp s GLU 41 Ca 0.09 -0.08 -0.22 0.00 0.03 0.00 0.00 54.97 54.79 1afp s GLU 41 Cb -0.03 -1.11 0.00 0.00 -0.80 0.00 0.00 34.13 32.19 1afp s GLU 41 CO 0.01 -0.20 0.70 0.12 -1.33 0.00 0.00 175.26 174.56 1afp s PHE 42 N 1.48 3.17 -0.22 4.83 5.36 0.11 -3.22 117.98 129.49 1afp s PHE 42 Ca -0.02 0.57 -0.29 0.00 -0.96 0.00 0.00 56.93 56.24 1afp s PHE 42 Cb -0.13 -3.17 -0.01 0.00 -0.34 0.00 0.00 43.02 39.36 1afp s PHE 42 CO -0.04 -0.59 1.33 -0.51 -1.46 0.00 0.00 175.22 173.95 1afp s ASP 43 N 1.72 6.77 0.00 6.13 1.11 -1.22 -1.33 116.67 129.84 1afp s ASP 43 Ca 0.28 1.52 0.24 0.00 0.18 0.00 0.00 52.55 54.77 1afp s ASP 43 Cb -0.14 -2.54 1.44 0.00 1.07 0.00 0.00 42.92 42.75 1afp s ASP 43 CO 0.14 -0.94 1.90 -0.24 1.18 0.00 0.00 175.17 177.20 1afp n SER 44 N 7.22 0.00 -0.02 0.27 2.88 -1.26 -0.68 113.62 122.04 1afp n SER 44 Ca 0.15 -1.14 -0.16 0.00 -1.33 0.00 0.00 58.87 56.39 1afp n SER 44 Cb 0.45 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.81 1afp n SER 44 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1afp h TYR 45 N 0.00 0.43 0.00 0.66 0.05 -1.89 -3.42 116.97 112.80 1afp h TYR 45 Ca 0.00 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.56 1afp h TYR 45 Cb 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1afp h TYR 45 CO 0.00 1.01 -0.82 1.63 -1.05 0.00 0.00 178.16 178.93 1afp n LYS 46 N -4.38 0.00 0.00 4.88 5.02 -1.22 -5.04 118.16 117.41 1afp n LYS 46 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1afp n LYS 46 Cb 0.56 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.81 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 3.02 1.73 3.68 0.72 0.00 0.14 -5.09 105.19 109.40 1afp n GLY 47 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1afp n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1afp s LYS 48 N -0.03 -0.19 -0.16 1.61 1.02 -1.25 -4.85 119.74 115.90 1afp s LYS 48 Ca 0.00 0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.11 1afp s LYS 48 Cb 0.00 -1.70 0.02 0.00 -0.52 0.00 0.00 37.83 35.63 1afp s LYS 48 CO 0.00 -3.06 -0.18 0.00 -0.92 0.00 0.00 175.35 171.20 1afp n TYR 50 N 4.58 4.06 1.95 0.00 4.02 -1.20 -4.80 117.16 125.78 1afp n TYR 50 Ca -0.19 -3.86 0.16 0.00 -0.01 0.00 0.00 57.90 54.00 1afp n TYR 50 Cb 0.50 -1.20 0.91 0.00 -0.02 0.00 0.00 39.34 39.54 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85