#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 2.52 -0.23 0.00 2.01 -1.26 -4.18 115.64 114.50 1afp s THR 2 Ca 0.00 0.42 -0.10 0.00 0.31 0.00 0.00 61.69 62.32 1afp s THR 2 Cb 0.00 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 1afp s THR 2 CO 0.00 0.06 0.14 -0.31 -0.69 0.00 0.00 174.62 173.82 1afp s TYR 3 N 0.34 3.31 0.21 4.92 1.51 0.10 -4.84 117.35 122.91 1afp s TYR 3 Ca 0.63 0.20 -0.05 0.00 -1.01 0.00 0.00 57.07 56.84 1afp s TYR 3 Cb -0.44 -2.23 -0.05 0.00 -0.11 0.00 0.00 41.96 39.13 1afp s TYR 3 CO 0.40 0.09 0.45 -0.80 -1.11 0.00 0.00 175.55 174.59 1afp s ASN 4 N 0.89 6.47 0.00 2.29 0.02 -1.26 0.19 114.94 123.54 1afp s ASN 4 Ca 0.07 0.63 0.00 0.00 -1.02 0.00 0.00 52.86 52.54 1afp s ASN 4 Cb -0.13 -2.11 0.00 0.00 0.02 0.00 0.00 41.25 39.03 1afp s ASN 4 CO 0.03 -0.05 0.00 0.61 0.02 0.00 0.00 177.10 177.71 1afp n GLY 5 N -0.38 1.85 3.15 0.66 0.00 -0.04 -4.07 105.19 106.35 1afp n GLY 5 Ca -0.02 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 4.05 0.74 0.22 1.61 1.02 0.16 -2.65 119.74 124.90 1afp s LYS 6 Ca 0.00 -1.13 0.03 0.00 0.02 0.00 0.00 55.97 54.89 1afp s LYS 6 Cb 0.00 0.27 -0.05 0.00 -0.52 0.00 0.00 37.83 37.53 1afp s LYS 6 CO 0.00 -0.19 0.02 0.00 -0.92 0.00 0.00 175.35 174.26 1afp s TYR 8 N -3.54 1.13 -0.12 0.00 1.51 -0.47 -0.62 117.35 115.24 1afp s TYR 8 Ca 0.29 -0.30 -0.27 0.00 -1.01 0.00 0.00 57.07 55.78 1afp s TYR 8 Cb 0.06 -0.80 -0.27 0.00 -0.11 0.00 0.00 41.96 40.85 1afp s TYR 8 CO 0.08 -0.12 0.78 1.57 -1.11 0.00 0.00 175.55 176.76 1afp h LYS 9 N 6.38 0.06 -0.33 -0.62 5.09 -1.82 2.26 116.57 127.59 1afp h LYS 9 Ca -0.33 -0.11 0.10 0.00 0.09 0.00 0.00 60.65 60.40 1afp h LYS 9 Cb 1.17 0.04 -0.01 0.00 0.10 0.00 0.00 32.23 33.53 1afp h LYS 9 CO 0.48 1.05 0.34 -0.22 -2.09 0.00 0.00 179.45 179.01 1afp h LYS 10 N -0.87 0.00 0.00 0.07 3.64 -1.96 0.20 116.57 117.65 1afp h LYS 10 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1afp h LYS 10 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1afp h LYS 10 CO 0.03 0.00 -0.91 -0.25 -2.27 0.00 0.00 179.45 176.05 1afp n ASP 11 N -3.83 1.34 -3.92 4.20 9.92 -1.22 -5.02 116.55 118.02 1afp n ASP 11 Ca 0.05 -0.44 -0.38 0.00 -0.53 0.00 0.00 54.79 53.50 1afp n ASP 11 Cb 0.50 1.21 0.02 0.00 -0.64 0.00 0.00 41.12 42.20 1afp n ASP 11 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1afp n ASN 12 N -1.51 -3.94 -4.18 -2.24 2.85 0.75 -4.81 115.26 102.18 1afp n ASN 12 Ca 0.00 -1.16 -0.12 0.00 -0.11 0.00 0.00 54.58 53.19 1afp n ASN 12 Cb 0.21 -2.49 -0.10 0.00 1.24 0.00 0.00 39.78 38.65 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 -3.60 0.01 -0.16 -1.44 -5.25 -0.22 -1.16 121.20 109.39 1afp s ILE 13 Ca 0.41 -2.00 0.02 0.00 -0.99 0.00 0.00 60.65 58.09 1afp s ILE 13 Cb -0.19 -2.50 0.02 0.00 2.95 0.00 0.00 42.46 42.73 1afp s ILE 13 CO 0.92 0.00 -0.20 0.00 -1.79 0.00 0.00 174.94 173.87 1afp s LYS 15 N 1.11 2.08 0.11 0.00 1.02 0.50 -0.55 119.74 124.02 1afp s LYS 15 Ca -0.00 -1.01 -0.05 0.00 0.02 0.00 0.00 55.97 54.93 1afp s LYS 15 Cb -0.14 -2.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.94 1afp s LYS 15 CO -0.08 0.52 0.25 2.48 -0.92 0.00 0.00 175.35 177.60 1afp n TYR 16 N 1.09 -1.31 0.34 3.18 0.18 -1.11 0.39 117.16 119.92 1afp n TYR 16 Ca -0.15 -0.53 0.14 0.00 1.88 0.00 0.00 57.90 59.25 1afp n TYR 16 Cb 0.52 0.26 0.50 0.00 -0.38 0.00 0.00 39.34 40.25 1afp n TYR 16 CO 0.00 0.00 0.00 -0.22 -2.08 0.00 0.00 176.86 174.56 1afp h LYS 17 N 0.00 0.00 0.00 -3.48 3.64 -1.75 -3.01 116.57 111.97 1afp h LYS 17 Ca -0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1afp h LYS 17 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1afp h LYS 17 CO 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.30 1afp n ALA 18 N -1.98 0.00 -0.04 5.00 0.00 -1.26 -1.71 120.51 120.52 1afp n ALA 18 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.43 1afp n ALA 18 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.79 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 0.24 -0.61 0.00 0.00 -1.26 -4.28 117.38 111.47 1afp n GLN 19 Ca 0.00 0.29 0.47 0.00 -0.00 0.00 0.00 57.00 57.76 1afp n GLN 19 Cb 0.00 -1.14 0.74 0.00 0.00 0.00 0.00 30.24 29.84 1afp n GLN 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1afp n SER 20 N -3.47 0.06 0.00 1.69 7.64 -1.26 -4.66 113.62 113.62 1afp n SER 20 Ca -0.05 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1afp n SER 20 Cb 0.18 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 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 -1.76 1.61 0.00 0.23 0.00 -1.25 -5.05 105.19 98.96 1afp n GLY 21 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1afp n GLY 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1afp n LYS 22 N -0.20 0.00 -3.75 1.61 5.02 -0.93 -4.80 118.16 115.10 1afp n LYS 22 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1afp n LYS 22 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1afp n LYS 22 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1afp s THR 23 N 0.00 0.04 -0.18 -0.18 2.01 -0.69 -4.26 115.64 112.38 1afp s THR 23 Ca 0.00 -0.83 -0.34 0.00 0.31 0.00 0.00 61.69 60.83 1afp s THR 23 Cb 0.00 -1.56 0.14 0.00 0.01 0.00 0.00 72.50 71.09 1afp s THR 23 CO 0.00 -0.17 1.17 0.00 -0.69 0.00 0.00 174.62 174.93 1afp s ALA 24 N -3.88 -2.04 0.20 7.40 0.00 -1.14 -4.75 121.76 117.56 1afp s ALA 24 Ca 0.09 1.56 0.11 0.00 0.00 0.00 0.00 51.96 53.73 1afp s ALA 24 Cb -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1afp s ALA 24 CO -0.04 -0.55 -0.19 0.42 0.00 0.00 0.00 175.76 175.40 1afp s ILE 25 N -2.27 2.60 -0.29 0.00 1.01 -1.26 -2.74 121.20 118.24 1afp s ILE 25 Ca 0.08 -1.99 0.00 0.00 0.00 0.00 0.00 60.65 58.75 1afp s ILE 25 Cb -0.01 -2.28 0.14 0.00 0.01 0.00 0.00 42.46 40.33 1afp s ILE 25 CO -0.05 -0.16 0.34 0.00 0.00 0.00 0.00 174.94 175.07 1afp n LYS 27 N 5.33 0.00 -3.31 0.00 4.01 -1.26 -1.18 118.16 121.74 1afp n LYS 27 Ca -0.01 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.40 1afp n LYS 27 Cb 0.47 -0.93 -0.07 0.00 -0.51 0.00 0.00 35.03 33.99 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 4.84 0.19 -0.49 0.00 4.11 -1.26 -4.81 117.16 119.74 1afp n TYR 29 Ca -0.06 -0.25 0.00 0.00 -0.00 0.00 0.00 57.90 57.58 1afp n TYR 29 Cb 0.51 -0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.83 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 0.42 0.00 -1.53 -3.48 0.31 -1.26 -4.97 118.33 107.81 1afp n VAL 30 Ca 0.07 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.15 1afp n VAL 30 Cb 0.31 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.11 1afp n VAL 30 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1afp n LYS 31 N 0.00 0.34 -1.15 5.55 4.01 -1.26 -4.80 118.16 120.85 1afp n LYS 31 Ca 0.00 -0.26 -0.37 0.00 -0.51 0.00 0.00 58.31 57.17 1afp n LYS 31 Cb 0.00 -2.30 0.02 0.00 -0.51 0.00 0.00 35.03 32.23 1afp n LYS 31 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1afp n LYS 32 N 7.64 0.00 -1.73 1.97 2.85 -1.26 -4.68 118.16 122.95 1afp n LYS 32 Ca 0.56 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 57.41 1afp n LYS 32 Cb 0.27 -0.96 0.01 0.00 -0.65 0.00 0.00 35.03 33.70 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1afp h PRO 34 N 2.34 0.69 -1.28 0.00 0.13 -1.91 -3.37 132.00 128.61 1afp h PRO 34 Ca -0.49 -0.67 0.14 0.00 -0.87 0.00 0.00 66.00 64.11 1afp h PRO 34 Cb 1.28 0.17 -0.30 0.00 0.13 0.00 0.00 31.00 32.27 1afp h PRO 34 CO 0.61 1.26 0.71 -0.98 -0.23 0.00 0.00 178.00 179.38 1afp s ARG 35 N -3.47 0.23 0.05 0.86 1.70 -1.26 -4.84 118.95 112.22 1afp s ARG 35 Ca -0.11 0.28 -0.32 0.00 -0.47 0.00 0.00 55.73 55.12 1afp s ARG 35 Cb 0.07 0.11 -0.17 0.00 -0.57 0.00 0.00 34.95 34.40 1afp s ARG 35 CO 0.90 -0.03 0.80 -3.47 -1.08 0.00 0.00 175.30 172.42 1afp n ASP 36 N 1.85 -0.30 0.00 -2.89 2.03 -1.25 0.10 116.55 116.08 1afp n ASP 36 Ca -0.11 1.00 0.00 0.00 0.52 0.00 0.00 54.79 56.20 1afp n ASP 36 Cb 0.56 -0.80 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 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 1.42 3.23 3.69 0.27 0.00 0.21 -4.97 105.19 109.03 1afp n GLY 37 Ca 0.17 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.06 -1.45 -1.75 4.61 0.00 0.28 -4.26 120.51 116.88 1afp n ALA 38 Ca 0.00 0.49 -0.36 0.00 0.00 0.00 0.00 53.44 53.57 1afp n ALA 38 Cb 0.00 -1.97 0.03 0.00 0.00 0.00 0.00 19.45 17.51 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 2.49 2.96 0.34 0.00 2.36 -1.26 0.19 119.74 126.82 1afp s LYS 39 Ca 1.00 1.84 -0.12 0.00 -2.55 0.00 0.00 55.97 56.14 1afp s LYS 39 Cb -1.33 -1.93 0.03 0.00 -1.05 0.00 0.00 37.83 33.55 1afp s LYS 39 CO 0.72 -1.22 0.64 0.00 1.55 0.00 0.00 175.35 177.05 1afp s GLU 41 N -2.94 0.02 -0.14 0.00 1.03 -1.26 -0.86 118.70 114.54 1afp s GLU 41 Ca 0.21 0.30 -0.09 0.00 0.03 0.00 0.00 54.97 55.42 1afp s GLU 41 Cb -0.03 -0.23 -0.04 0.00 -0.80 0.00 0.00 34.13 33.02 1afp s GLU 41 CO 0.13 -0.18 0.16 0.12 -1.33 0.00 0.00 175.26 174.16 1afp s PHE 42 N 1.23 3.53 0.01 4.83 5.36 0.49 -2.39 117.98 131.05 1afp s PHE 42 Ca -0.08 0.49 -0.30 0.00 -0.96 0.00 0.00 56.93 56.09 1afp s PHE 42 Cb -0.12 -2.06 -0.03 0.00 -0.34 0.00 0.00 43.02 40.46 1afp s PHE 42 CO -0.04 0.55 0.97 -0.51 -1.46 0.00 0.00 175.22 174.72 1afp s ASP 43 N -0.45 7.37 -1.28 6.13 1.01 -1.24 0.01 116.67 128.22 1afp s ASP 43 Ca 0.13 1.66 -0.06 0.00 0.71 0.00 0.00 52.55 54.99 1afp s ASP 43 Cb -0.12 -2.57 0.09 0.00 1.01 0.00 0.00 42.92 41.33 1afp s ASP 43 CO 0.02 -0.23 2.49 -1.54 0.21 0.00 0.00 175.17 176.13 1afp n SER 44 N 3.74 8.00 0.00 0.27 3.41 -1.26 -3.08 113.62 124.70 1afp n SER 44 Ca 0.05 -3.08 0.00 0.00 -0.26 0.00 0.00 58.87 55.59 1afp n SER 44 Cb 0.51 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 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 1.88 0.00 0.05 7.33 0.18 -1.26 -4.88 117.16 120.45 1afp n TYR 45 Ca 0.63 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 60.26 1afp n TYR 45 Cb 0.27 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.09 1afp n TYR 45 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 1afp h LYS 46 N 0.00 0.19 -0.20 -3.48 1.57 -1.98 -3.47 116.57 109.20 1afp h LYS 46 Ca 0.00 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.37 1afp h LYS 46 Cb 0.00 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1afp h LYS 46 CO 0.00 1.02 -0.08 0.41 -0.57 0.00 0.00 179.45 180.23 1afp n GLY 47 N 1.64 0.69 2.12 3.86 0.00 -1.18 -5.01 105.19 107.31 1afp n GLY 47 Ca -0.16 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.50 0.90 -3.73 1.61 4.01 -1.26 -5.00 118.16 112.20 1afp n LYS 48 Ca -0.04 -1.79 -0.30 0.00 -0.51 0.00 0.00 58.31 55.67 1afp n LYS 48 Cb 0.18 0.02 -0.14 0.00 -0.51 0.00 0.00 35.03 34.59 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 4.21 1.08 1.56 0.00 4.02 -1.01 -4.78 117.16 122.23 1afp n TYR 50 Ca 0.04 -1.48 0.12 0.00 -0.01 0.00 0.00 57.90 56.57 1afp n TYR 50 Cb 0.38 -1.37 0.74 0.00 -0.02 0.00 0.00 39.34 39.08 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85