#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfw n SER 2 N -2.87 0.27 -4.25 0.00 7.64 -1.26 -2.99 113.62 110.16 1nfw n SER 2 Ca -0.03 0.06 -0.43 0.00 1.01 0.00 0.00 58.87 59.48 1nfw n SER 2 Cb 0.06 -0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.07 1nfw n SER 2 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1nfw s LEU 3 N -2.94 5.95 -1.49 -3.43 0.20 0.21 -4.64 118.68 112.52 1nfw s LEU 3 Ca 0.14 -1.93 -0.07 0.00 0.69 0.00 0.00 54.13 52.96 1nfw s LEU 3 Cb 0.18 -2.10 0.06 0.00 -0.43 0.00 0.00 46.19 43.90 1nfw s LEU 3 CO 0.60 -0.75 0.65 -0.67 -0.29 0.00 0.00 176.35 175.89 1nfw n ASP 4 N 4.96 -1.97 -1.69 3.68 2.03 -1.26 -0.93 116.55 121.37 1nfw n ASP 4 Ca -0.09 -0.94 -0.16 0.00 0.52 0.00 0.00 54.79 54.12 1nfw n ASP 4 Cb 0.41 -3.25 -0.06 0.00 -0.72 0.00 0.00 41.12 37.50 1nfw n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1nfw n ASN 5 N -2.88 -4.42 -0.36 1.67 5.15 -1.16 -1.09 115.26 112.18 1nfw n ASN 5 Ca -0.15 0.33 -0.05 0.00 -0.60 0.00 0.00 54.58 54.12 1nfw n ASN 5 Cb 0.61 -3.94 -0.02 0.00 -0.53 0.00 0.00 39.78 35.90 1nfw n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1nfw n GLY 6 N -0.44 0.63 2.50 8.20 0.00 -0.10 -1.89 105.19 114.09 1nfw n GLY 6 Ca -0.17 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1nfw n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nfw n ASP 7 N -0.34 -2.03 -4.80 1.61 2.03 -0.25 -4.97 116.55 107.79 1nfw n ASP 7 Ca -0.05 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.93 1nfw n ASP 7 Cb 0.33 -0.61 -0.04 0.00 -0.72 0.00 0.00 41.12 40.08 1nfw n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nfw h ASP 9 N 1.65 0.54 0.00 0.00 5.19 -1.69 -3.47 116.42 118.64 1nfw h ASP 9 Ca -0.49 -0.68 0.00 0.00 -0.62 0.00 0.00 57.03 55.24 1nfw h ASP 9 Cb 1.21 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1nfw h ASP 9 CO 0.59 1.14 0.00 0.00 -3.12 0.00 0.00 179.24 177.85 1nfw n GLN 10 N -4.27 0.00 -1.74 3.56 6.02 -1.26 -5.02 117.38 114.67 1nfw n GLN 10 Ca -0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.48 1nfw n GLN 10 Cb 0.60 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.84 1nfw n GLN 10 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1nfw n PHE 11 N 0.00 2.82 -4.44 1.08 3.72 -1.07 -4.91 117.46 114.67 1nfw n PHE 11 Ca 0.00 0.20 -0.23 0.00 -0.05 0.00 0.00 57.45 57.37 1nfw n PHE 11 Cb 0.00 -2.62 -0.17 0.00 -0.94 0.00 0.00 39.48 35.76 1nfw n PHE 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nfw s HIS 13 N 0.77 0.85 -0.32 0.00 2.46 -0.38 -4.99 115.29 113.67 1nfw s HIS 13 Ca -0.13 -0.28 -0.12 0.00 0.47 0.00 0.00 55.06 55.01 1nfw s HIS 13 Cb -0.15 -0.52 -0.02 0.00 -0.13 0.00 0.00 32.58 31.76 1nfw s HIS 13 CO 0.02 -0.01 0.20 -1.21 -2.47 0.00 0.00 174.74 171.27 1nfw s GLU 14 N -0.77 3.48 -0.07 2.88 2.02 -1.26 -0.13 118.70 124.85 1nfw s GLU 14 Ca -0.00 -0.64 0.05 0.00 0.02 0.00 0.00 54.97 54.39 1nfw s GLU 14 Cb -0.06 -3.71 -0.01 0.00 0.10 0.00 0.00 34.13 30.45 1nfw s GLU 14 CO 0.00 -0.41 -0.21 -1.21 0.02 0.00 0.00 175.26 173.45 1nfw s GLU 15 N 1.69 2.73 -0.94 1.61 0.41 0.16 -4.77 118.70 119.58 1nfw s GLU 15 Ca 0.06 -0.84 -0.09 0.00 -0.41 0.00 0.00 54.97 53.68 1nfw s GLU 15 Cb -0.17 -2.28 0.01 0.00 -1.78 0.00 0.00 34.13 29.91 1nfw s GLU 15 CO 0.09 0.37 0.18 0.00 -0.49 0.00 0.00 175.26 175.41 1nfw n GLN 16 N 3.00 -0.77 -1.36 1.61 10.64 -1.26 0.21 117.38 129.45 1nfw n GLN 16 Ca -0.18 -0.02 -0.12 0.00 -1.83 0.00 0.00 57.00 54.85 1nfw n GLN 16 Cb 0.52 -1.93 -0.05 0.00 -0.86 0.00 0.00 30.24 27.92 1nfw n GLN 16 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1nfw n ASN 17 N -1.52 -4.82 -4.28 2.61 5.03 -1.26 -4.99 115.26 106.03 1nfw n ASN 17 Ca -0.16 0.31 -0.21 0.00 0.87 0.00 0.00 54.58 55.38 1nfw n ASN 17 Cb 0.43 -3.41 -0.12 0.00 -1.02 0.00 0.00 39.78 35.66 1nfw n ASN 17 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1nfw s SER 18 N -2.72 2.36 -0.09 6.41 0.15 0.55 -5.11 113.70 115.26 1nfw s SER 18 Ca 0.00 -0.75 -0.19 0.00 0.70 0.00 0.00 55.95 55.71 1nfw s SER 18 Cb 0.00 -0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.15 1nfw s SER 18 CO 0.00 -0.03 0.51 -0.69 1.20 0.00 0.00 173.24 174.23 1nfw s VAL 19 N -1.63 5.14 -0.13 4.45 1.01 -1.26 0.35 120.40 128.32 1nfw s VAL 19 Ca 0.09 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.11 1nfw s VAL 19 Cb -0.08 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1nfw s VAL 19 CO 0.04 0.34 -0.14 -0.69 0.00 0.00 0.00 175.10 174.66 1nfw s VAL 20 N 0.48 1.50 0.18 2.92 1.01 0.82 -4.93 120.40 122.37 1nfw s VAL 20 Ca 0.28 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1nfw s VAL 20 Cb -0.16 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1nfw s VAL 20 CO 0.12 0.44 0.36 0.00 0.00 0.00 0.00 175.10 176.03 1nfw s SER 22 N -3.05 0.55 0.15 0.00 1.04 -0.72 -4.94 113.70 106.73 1nfw s SER 22 Ca 0.38 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1nfw s SER 22 Cb -0.11 0.70 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1nfw s SER 22 CO 0.28 -1.37 0.04 0.00 0.98 0.00 0.00 173.24 173.17 1nfw s ALA 24 N -3.90 1.92 0.20 0.00 0.00 -1.26 -4.89 121.76 113.82 1nfw s ALA 24 Ca 0.25 0.27 -0.32 0.00 0.00 0.00 0.00 51.96 52.16 1nfw s ALA 24 Cb 0.07 -3.30 -0.12 0.00 0.00 0.00 0.00 23.12 19.77 1nfw s ALA 24 CO 0.03 -2.11 1.72 -2.13 0.00 0.00 0.00 175.76 173.27 1nfw n ARG 25 N -3.76 2.71 0.00 0.00 0.63 -1.26 -2.07 116.66 112.91 1nfw n ARG 25 Ca 0.09 0.98 0.00 0.00 -0.92 0.00 0.00 57.85 58.00 1nfw n ARG 25 Cb 0.53 -2.82 0.00 0.00 0.45 0.00 0.00 32.46 30.62 1nfw n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1nfw n GLY 26 N 3.93 0.79 3.24 5.14 0.00 -1.26 -4.69 105.19 112.34 1nfw n GLY 26 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 1nfw n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nfw s TYR 27 N -2.00 1.30 -0.01 1.61 1.51 -0.88 -0.33 117.35 118.55 1nfw s TYR 27 Ca 0.00 -0.65 0.05 0.00 -1.01 0.00 0.00 57.07 55.45 1nfw s TYR 27 Cb 0.00 -0.67 -0.01 0.00 -0.11 0.00 0.00 41.96 41.17 1nfw s TYR 27 CO 0.00 0.11 -0.15 0.95 -1.11 0.00 0.00 175.55 175.35 1nfw s THR 28 N -2.72 1.17 0.06 -0.71 -4.23 0.93 -4.81 115.64 105.33 1nfw s THR 28 Ca 0.12 -0.63 -0.31 0.00 -1.18 0.00 0.00 61.69 59.69 1nfw s THR 28 Cb -0.01 -0.98 -0.07 0.00 1.34 0.00 0.00 72.50 72.77 1nfw s THR 28 CO 0.02 0.33 1.52 -0.22 -0.54 0.00 0.00 174.62 175.73 1nfw s LEU 29 N -0.33 4.35 1.33 4.79 2.96 -1.26 0.32 118.68 130.84 1nfw s LEU 29 Ca 0.05 2.35 -0.20 0.00 -0.22 0.00 0.00 54.13 56.11 1nfw s LEU 29 Cb -0.06 -3.57 0.34 0.00 0.50 0.00 0.00 46.19 43.40 1nfw s LEU 29 CO -0.00 -0.79 0.97 0.00 -1.32 0.00 0.00 176.35 175.21 1nfw s ALA 30 N 2.20 -0.57 0.41 5.97 0.00 0.59 -4.82 121.76 125.54 1nfw s ALA 30 Ca 0.69 -0.64 0.22 0.00 0.00 0.00 0.00 51.96 52.22 1nfw s ALA 30 Cb -0.37 -3.02 1.22 0.00 0.00 0.00 0.00 23.12 20.95 1nfw s ALA 30 CO 0.30 -4.31 2.01 -0.44 0.00 0.00 0.00 175.76 173.32 1nfw h ASP 31 N -3.13 0.00 -0.02 0.00 5.19 -1.94 -1.50 116.42 115.02 1nfw h ASP 31 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1nfw h ASP 31 Cb 1.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1nfw h ASP 31 CO 0.35 0.17 0.00 -0.46 -3.12 0.00 0.00 179.24 176.19 1nfw n ASN 32 N -3.86 0.28 -1.11 6.45 0.23 -1.26 -4.90 115.26 111.10 1nfw n ASN 32 Ca -0.02 -1.32 -0.14 0.00 -0.53 0.00 0.00 54.58 52.57 1nfw n ASN 32 Cb 0.27 -0.01 -0.06 0.00 -2.08 0.00 0.00 39.78 37.90 1nfw n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nfw n GLY 33 N 0.92 1.41 1.41 4.83 0.00 -0.56 -4.75 105.19 108.45 1nfw n GLY 33 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1nfw n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nfw n LYS 34 N -1.73 0.00 -1.81 1.61 5.02 -1.26 -4.21 118.16 115.78 1nfw n LYS 34 Ca -0.14 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.81 1nfw n LYS 34 Cb 0.58 -0.29 0.04 0.00 -0.02 0.00 0.00 35.03 35.34 1nfw n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nfw s ALA 35 N -2.00 2.47 -0.14 7.82 0.00 -1.26 -1.86 121.76 126.79 1nfw s ALA 35 Ca 0.00 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.62 1nfw s ALA 35 Cb 0.00 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 1nfw s ALA 35 CO 0.00 -1.26 -0.18 0.00 0.00 0.00 0.00 175.76 174.32 1nfw s ILE 37 N 0.66 4.10 0.22 0.00 1.01 0.15 -4.86 121.20 122.47 1nfw s ILE 37 Ca -0.09 -0.29 -0.32 0.00 0.00 0.00 0.00 60.65 59.95 1nfw s ILE 37 Cb -0.16 -2.81 -0.12 0.00 0.01 0.00 0.00 42.46 39.38 1nfw s ILE 37 CO 0.02 0.49 1.68 -2.65 0.00 0.00 0.00 174.94 174.48 1nfw n PRO 38 N 3.49 2.67 0.13 2.79 -0.02 -1.26 -0.05 135.00 142.76 1nfw n PRO 38 Ca -0.17 0.96 -0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1nfw n PRO 38 Cb 0.52 -2.79 0.12 0.00 -0.02 0.00 0.00 33.50 31.33 1nfw n PRO 38 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1nfw h THR 39 N 3.69 1.26 -0.93 3.45 2.02 -1.01 -3.46 112.91 117.94 1nfw h THR 39 Ca -0.44 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.43 1nfw h THR 39 Cb 1.21 2.32 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 1nfw h THR 39 CO 0.92 0.62 0.00 0.61 0.37 0.00 0.00 175.52 178.04 1nfw n GLY 40 N 0.69 3.21 3.80 2.16 0.00 -1.26 -5.08 105.19 108.71 1nfw n GLY 40 Ca -0.00 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1nfw n GLY 40 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nfw s PRO 41 N 1.07 3.55 -1.13 1.61 0.02 -1.26 -4.08 135.00 134.78 1nfw s PRO 41 Ca 0.00 1.30 -0.24 0.00 0.02 0.00 0.00 61.00 62.09 1nfw s PRO 41 Cb 0.00 -2.06 0.01 0.00 0.02 0.00 0.00 34.50 32.47 1nfw s PRO 41 CO 0.00 -0.63 0.74 0.66 -0.33 0.00 0.00 177.00 177.44 1nfw n TYR 42 N -1.48 -1.78 -1.75 6.54 4.01 -1.26 -4.93 117.16 116.51 1nfw n TYR 42 Ca 0.09 0.37 -0.32 0.00 -0.16 0.00 0.00 57.90 57.88 1nfw n TYR 42 Cb 0.53 -3.19 0.04 0.00 -0.31 0.00 0.00 39.34 36.40 1nfw n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1nfw s PRO 43 N -6.31 2.97 0.70 -0.72 0.04 -1.26 -4.97 135.00 125.46 1nfw s PRO 43 Ca 0.44 1.17 -0.16 0.00 0.04 0.00 0.00 61.00 62.48 1nfw s PRO 43 Cb -0.19 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1nfw s PRO 43 CO 0.90 -1.09 1.05 0.00 0.04 0.00 0.00 177.00 177.90 1nfw n GLY 45 N 1.03 0.62 3.52 0.00 0.00 -1.26 -5.00 105.19 104.10 1nfw n GLY 45 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1nfw n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfw s LYS 46 N -0.38 3.74 0.49 1.61 -0.14 -1.20 -5.08 119.74 118.78 1nfw s LYS 46 Ca 0.00 -0.46 -0.23 0.00 -1.36 0.00 0.00 55.97 53.92 1nfw s LYS 46 Cb 0.00 -3.08 -0.06 0.00 -1.68 0.00 0.00 37.83 33.00 1nfw s LYS 46 CO 0.00 0.15 1.31 -0.65 -0.76 0.00 0.00 175.35 175.40 1nfw s GLN 47 N 0.65 3.48 0.10 1.68 -0.21 -1.26 -4.92 119.66 119.18 1nfw s GLN 47 Ca 0.00 2.12 -0.26 0.00 0.02 0.00 0.00 55.36 57.25 1nfw s GLN 47 Cb -0.14 -2.41 -0.06 0.00 1.00 0.00 0.00 33.01 31.39 1nfw s GLN 47 CO 0.02 -0.88 0.81 0.95 -2.12 0.00 0.00 175.29 174.07 1nfw s THR 48 N -1.35 4.54 -1.24 -0.19 -4.23 -1.26 -4.97 115.64 106.94 1nfw s THR 48 Ca 0.66 1.75 0.11 0.00 -1.18 0.00 0.00 61.69 63.03 1nfw s THR 48 Cb -0.37 -4.17 0.06 0.00 1.34 0.00 0.00 72.50 69.36 1nfw s THR 48 CO 0.45 0.42 0.78 0.18 -0.54 0.00 0.00 174.62 175.91 1nfw n LEU 49 N 2.34 1.70 0.00 4.79 4.77 -1.26 -5.27 117.00 124.08 1nfw n LEU 49 Ca -0.03 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 1nfw n LEU 49 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1nfw n LEU 49 CO 0.48 0.33 0.00 -1.84 -1.33 0.00 0.00 177.39 175.02