#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 5.24 -0.19 0.00 2.01 -1.26 -3.14 115.64 118.29 1afp s THR 2 Ca 0.00 0.45 -0.26 0.00 0.31 0.00 0.00 61.69 62.19 1afp s THR 2 Cb 0.00 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 1afp s THR 2 CO 0.00 0.22 0.87 -0.31 -0.69 0.00 0.00 174.62 174.71 1afp s TYR 3 N 1.71 3.39 0.53 4.92 2.02 -1.13 -4.84 117.35 123.96 1afp s TYR 3 Ca 0.13 1.28 -0.07 0.00 -0.37 0.00 0.00 57.07 58.03 1afp s TYR 3 Cb -0.15 -3.07 -0.04 0.00 -0.40 0.00 0.00 41.96 38.30 1afp s TYR 3 CO 0.09 -0.31 0.88 -0.80 -1.57 0.00 0.00 175.55 173.84 1afp s ASN 4 N 1.20 6.25 0.00 2.29 0.02 -1.26 -0.13 114.94 123.31 1afp s ASN 4 Ca 0.39 1.12 0.00 0.00 -1.02 0.00 0.00 52.86 53.34 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 0.11 -0.69 0.00 0.61 0.02 0.00 0.00 177.10 177.15 1afp n GLY 5 N -2.45 0.84 3.09 0.66 0.00 -0.66 -3.85 105.19 102.82 1afp n GLY 5 Ca 0.03 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 1.52 0.60 0.11 1.61 1.02 0.80 -1.48 119.74 123.91 1afp s LYS 6 Ca 0.00 -1.08 0.07 0.00 0.02 0.00 0.00 55.97 54.98 1afp s LYS 6 Cb 0.00 0.03 -0.03 0.00 -0.52 0.00 0.00 37.83 37.30 1afp s LYS 6 CO 0.00 -0.06 -0.17 0.00 -0.92 0.00 0.00 175.35 174.21 1afp s TYR 8 N -1.57 2.61 -0.11 0.00 2.02 -0.64 -1.89 117.35 117.78 1afp s TYR 8 Ca 0.06 -0.22 -0.20 0.00 -0.37 0.00 0.00 57.07 56.33 1afp s TYR 8 Cb -0.08 -1.46 -0.27 0.00 -0.40 0.00 0.00 41.96 39.75 1afp s TYR 8 CO 0.04 0.30 0.63 1.57 -1.57 0.00 0.00 175.55 176.52 1afp h LYS 9 N 4.35 0.18 -0.09 -0.62 5.09 -1.83 1.96 116.57 125.60 1afp h LYS 9 Ca -0.48 -0.31 0.03 0.00 0.09 0.00 0.00 60.65 59.97 1afp h LYS 9 Cb 1.16 0.12 -0.00 0.00 0.10 0.00 0.00 32.23 33.60 1afp h LYS 9 CO 0.49 1.15 0.11 -0.22 -2.09 0.00 0.00 179.45 178.88 1afp h LYS 10 N -0.53 0.00 0.00 0.07 3.64 -1.96 -0.50 116.57 117.29 1afp h LYS 10 Ca -0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1afp h LYS 10 Cb 1.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1afp h LYS 10 CO 0.04 0.00 -0.44 -0.25 -2.27 0.00 0.00 179.45 176.53 1afp n ASP 11 N -3.81 0.69 -4.16 4.20 8.00 -1.24 -5.01 116.55 115.22 1afp n ASP 11 Ca -0.01 -0.58 -0.40 0.00 0.71 0.00 0.00 54.79 54.52 1afp n ASP 11 Cb 0.21 1.04 -0.03 0.00 -0.02 0.00 0.00 41.12 42.32 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 -1.23 -2.02 -4.17 -2.24 5.15 0.65 -4.77 115.26 106.63 1afp n ASN 12 Ca 0.01 -1.26 -0.19 0.00 -0.60 0.00 0.00 54.58 52.53 1afp n ASN 12 Cb 0.11 -1.54 -0.10 0.00 -0.53 0.00 0.00 39.78 37.73 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 -3.88 0.55 -0.29 -1.44 -5.25 -0.59 0.46 121.20 110.76 1afp s ILE 13 Ca 0.29 -2.00 0.01 0.00 -0.99 0.00 0.00 60.65 57.97 1afp s ILE 13 Cb -0.16 -2.57 0.08 0.00 2.95 0.00 0.00 42.46 42.76 1afp s ILE 13 CO 0.96 0.00 0.02 0.00 -1.79 0.00 0.00 174.94 174.13 1afp s LYS 15 N 1.28 3.86 0.08 0.00 -2.85 0.21 0.16 119.74 122.48 1afp s LYS 15 Ca 0.04 0.06 -0.27 0.00 -1.00 0.00 0.00 55.97 54.80 1afp s LYS 15 Cb -0.18 -3.29 0.09 0.00 -2.06 0.00 0.00 37.83 32.39 1afp s LYS 15 CO -0.12 0.56 1.13 1.52 0.10 0.00 0.00 175.35 178.54 1afp s TYR 16 N -0.49 -0.05 -0.12 1.78 1.13 -1.26 -0.14 117.35 118.20 1afp s TYR 16 Ca 0.17 -0.18 -0.12 0.00 -1.41 0.00 0.00 57.07 55.53 1afp s TYR 16 Cb -0.13 0.61 -0.05 0.00 -1.10 0.00 0.00 41.96 41.29 1afp s TYR 16 CO 0.06 -0.58 0.27 0.15 -2.51 0.00 0.00 175.55 172.94 1afp s LYS 17 N -2.66 4.01 -0.33 -3.49 -0.14 -1.25 -4.14 119.74 111.74 1afp s LYS 17 Ca 0.16 0.10 -0.00 0.00 -1.36 0.00 0.00 55.97 54.86 1afp s LYS 17 Cb 0.01 -3.33 0.27 0.00 -1.68 0.00 0.00 37.83 33.10 1afp s LYS 17 CO 0.00 0.45 1.89 0.00 -0.76 0.00 0.00 175.35 176.93 1afp n ALA 18 N 2.86 4.99 0.00 5.17 0.00 -1.26 -4.66 120.51 127.60 1afp n ALA 18 Ca -0.14 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.49 1afp n ALA 18 Cb 0.53 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 0.04 0.00 -0.12 0.00 -0.06 -1.26 -3.59 117.38 112.39 1afp n GLN 19 Ca 0.34 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.43 1afp n GLN 19 Cb 0.73 0.00 0.30 0.00 -4.06 0.00 0.00 30.24 27.21 1afp n GLN 19 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1afp n SER 20 N 1.41 1.85 0.00 1.69 3.41 -1.26 -4.87 113.62 115.84 1afp n SER 20 Ca 0.00 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 1afp n SER 20 Cb 0.00 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 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 1.13 0.76 0.00 5.00 0.00 -1.24 -4.93 105.19 105.92 1afp n GLY 21 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 0.00 -0.45 1.61 4.81 -1.26 -4.70 118.16 116.17 1afp n LYS 22 Ca 0.00 0.08 -0.15 0.00 -0.87 0.00 0.00 58.31 57.37 1afp n LYS 22 Cb 0.00 -0.71 0.15 0.00 0.02 0.00 0.00 35.03 34.49 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 -0.29 0.00 0.00 3.15 5.66 -1.26 -4.88 114.28 116.65 1afp n THR 23 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1afp n THR 23 Cb 0.00 -0.49 0.00 0.00 -1.55 0.00 0.00 70.33 68.29 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 -4.33 0.00 -1.71 1.79 0.00 -1.26 -4.29 120.51 110.71 1afp n ALA 24 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1afp n ALA 24 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -5.50 -3.30 0.00 5.41 -1.19 -4.92 119.36 109.86 1afp n ILE 25 Ca 0.00 2.51 -0.03 0.00 1.00 0.00 0.00 62.75 66.23 1afp n ILE 25 Cb 0.00 -3.38 -0.05 0.00 -0.71 0.00 0.00 39.64 35.50 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 -2.49 0.00 5.02 -1.26 0.11 118.16 124.94 1afp n LYS 27 Ca -0.03 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.86 1afp n LYS 27 Cb 0.50 -0.57 -0.02 0.00 -0.02 0.00 0.00 35.03 34.92 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 9.54 2.35 -0.95 0.00 4.11 -1.26 -4.54 117.16 126.42 1afp n TYR 29 Ca 0.42 -0.27 0.00 0.00 -0.00 0.00 0.00 57.90 58.06 1afp n TYR 29 Cb 0.48 -2.77 0.00 0.00 -0.00 0.00 0.00 39.34 37.05 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 6.03 -2.45 -2.28 -3.48 0.24 -1.26 -4.93 118.33 110.19 1afp n VAL 30 Ca 0.23 1.09 0.12 0.00 -2.04 0.00 0.00 64.34 63.74 1afp n VAL 30 Cb 0.40 -1.66 -0.03 0.00 -1.47 0.00 0.00 33.84 31.08 1afp n VAL 30 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1afp n LYS 31 N -1.70 -1.76 -3.98 7.34 4.81 -1.26 -4.93 118.16 116.67 1afp n LYS 31 Ca 0.00 1.16 -0.11 0.00 -0.87 0.00 0.00 58.31 58.49 1afp n LYS 31 Cb 0.18 -2.15 -0.12 0.00 0.02 0.00 0.00 35.03 32.96 1afp n LYS 31 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1afp s LYS 32 N -1.45 0.27 0.45 1.64 2.20 -1.26 -4.95 119.74 116.65 1afp s LYS 32 Ca 0.00 -0.44 -0.25 0.00 -0.36 0.00 0.00 55.97 54.93 1afp s LYS 32 Cb 0.00 -0.03 -0.08 0.00 -1.51 0.00 0.00 37.83 36.21 1afp s LYS 32 CO 0.00 -0.01 1.36 0.00 -0.36 0.00 0.00 175.35 176.34 1afp h PRO 34 N 2.26 0.31 -1.57 0.00 0.13 -1.92 -3.40 132.00 127.82 1afp h PRO 34 Ca -0.50 -0.30 0.07 0.00 -0.87 0.00 0.00 66.00 64.40 1afp h PRO 34 Cb 1.26 0.08 -0.27 0.00 0.13 0.00 0.00 31.00 32.21 1afp h PRO 34 CO 0.61 0.98 0.47 -0.98 -0.23 0.00 0.00 178.00 178.85 1afp s ARG 35 N -3.32 0.47 -0.23 0.86 3.03 -1.26 -4.89 118.95 113.61 1afp s ARG 35 Ca -0.14 0.58 -0.42 0.00 2.03 0.00 0.00 55.73 57.78 1afp s ARG 35 Cb 0.03 0.22 -0.19 0.00 -1.03 0.00 0.00 34.95 33.97 1afp s ARG 35 CO 0.78 -0.06 1.27 -3.47 -1.13 0.00 0.00 175.30 172.69 1afp n ASP 36 N 2.33 0.55 0.00 -2.89 -0.08 -1.26 -0.43 116.55 114.77 1afp n ASP 36 Ca -0.13 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.28 1afp n ASP 36 Cb 0.56 -0.87 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 2.59 2.03 3.41 0.27 0.00 -0.79 -4.99 105.19 107.71 1afp n GLY 37 Ca 0.24 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.37 -1.54 -1.46 4.61 0.00 0.43 -4.35 120.51 117.83 1afp n ALA 38 Ca 0.00 0.47 -0.35 0.00 0.00 0.00 0.00 53.44 53.56 1afp n ALA 38 Cb 0.00 -1.74 0.09 0.00 0.00 0.00 0.00 19.45 17.80 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 2.39 2.17 0.32 0.00 2.36 -1.26 0.89 119.74 126.61 1afp s LYS 39 Ca 0.95 1.92 -0.13 0.00 -2.55 0.00 0.00 55.97 56.15 1afp s LYS 39 Cb -1.35 -1.82 0.02 0.00 -1.05 0.00 0.00 37.83 33.64 1afp s LYS 39 CO 0.72 -1.85 0.64 0.00 1.55 0.00 0.00 175.35 176.41 1afp s GLU 41 N -3.19 0.61 -0.68 0.00 1.03 0.37 -1.65 118.70 115.19 1afp s GLU 41 Ca 0.19 0.99 -0.15 0.00 0.03 0.00 0.00 54.97 56.04 1afp s GLU 41 Cb -0.03 0.14 0.18 0.00 -0.80 0.00 0.00 34.13 33.62 1afp s GLU 41 CO 0.12 -0.13 0.63 0.12 -1.33 0.00 0.00 175.26 174.66 1afp s PHE 42 N 1.21 3.52 -0.12 4.83 5.36 0.82 -1.94 117.98 131.66 1afp s PHE 42 Ca -0.07 -1.69 -0.32 0.00 -0.96 0.00 0.00 56.93 53.89 1afp s PHE 42 Cb -0.06 -3.79 -0.09 0.00 -0.34 0.00 0.00 43.02 38.74 1afp s PHE 42 CO -0.12 -1.00 2.03 -0.25 -1.46 0.00 0.00 175.22 174.42 1afp n ASP 43 N 4.56 3.42 0.00 6.13 10.43 -1.26 -2.82 116.55 137.01 1afp n ASP 43 Ca 0.01 0.70 0.12 0.00 2.57 0.00 0.00 54.79 58.18 1afp n ASP 43 Cb 0.43 -1.44 0.67 0.00 1.84 0.00 0.00 41.12 42.63 1afp n ASP 43 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1afp n SER 44 N 8.51 0.00 0.18 -2.24 3.41 -1.19 0.97 113.62 123.27 1afp n SER 44 Ca 0.26 -0.58 0.08 0.00 -0.26 0.00 0.00 58.87 58.37 1afp n SER 44 Cb 0.35 -0.07 0.12 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.00 0.00 0.00 7.33 0.05 -1.86 -3.41 116.97 119.07 1afp h TYR 45 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1afp h TYR 45 Cb 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 1afp h TYR 45 CO 0.00 0.23 0.00 1.63 -1.05 0.00 0.00 178.16 178.97 1afp n LYS 46 N -3.16 0.00 0.00 4.88 4.76 -1.04 -5.08 118.16 118.52 1afp n LYS 46 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1afp n LYS 46 Cb 0.62 -0.14 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 1afp n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1afp n GLY 47 N 1.49 0.71 0.00 0.72 0.00 0.27 -5.07 105.19 103.31 1afp n GLY 47 Ca 0.00 -0.04 0.00 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 0.00 0.00 0.00 1.61 4.76 -1.22 -4.93 118.16 118.38 1afp n LYS 48 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1afp n LYS 48 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 0.00 0.00 1.92 0.00 4.02 -0.82 -0.48 117.16 121.81 1afp n TYR 50 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.04 1afp n TYR 50 Cb 0.00 -0.87 0.91 0.00 -0.02 0.00 0.00 39.34 39.36 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85