#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfx s LYS -1 N 0.00 1.06 4.46 5.56 2.20 -1.26 -4.60 119.74 127.17 1nfx s LYS -1 Ca 0.00 -0.96 0.00 0.00 -0.36 0.00 0.00 55.97 54.65 1nfx s LYS -1 Cb 0.00 -1.17 0.00 0.00 -1.51 0.00 0.00 37.83 35.15 1nfx s LYS -1 CO 0.00 0.28 0.00 1.28 -0.36 0.00 0.00 175.35 176.55 1nfx n LEU 0 N 1.51 0.00 0.12 5.43 4.32 -1.26 -1.59 117.00 125.53 1nfx n LEU 0 Ca -0.19 0.00 0.08 0.00 -0.02 0.00 0.00 56.01 55.88 1nfx n LEU 0 Cb 0.54 0.00 0.43 0.00 -1.62 0.00 0.00 43.42 42.77 1nfx n LEU 0 CO 0.22 0.00 0.74 0.00 -1.22 0.00 0.00 177.39 177.14 1nfx n SER 2 N -2.05 0.58 -4.31 0.00 7.64 -0.62 -3.21 113.62 111.65 1nfx n SER 2 Ca -0.01 -0.18 -0.46 0.00 1.01 0.00 0.00 58.87 59.23 1nfx n SER 2 Cb 0.03 0.33 -0.05 0.00 -1.01 0.00 0.00 64.21 63.51 1nfx n SER 2 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1nfx s LEU 3 N -3.42 6.25 -1.46 -3.43 0.20 0.46 -4.59 118.68 112.68 1nfx s LEU 3 Ca 0.09 -1.90 -0.04 0.00 0.69 0.00 0.00 54.13 52.97 1nfx s LEU 3 Cb 0.16 -2.21 0.03 0.00 -0.43 0.00 0.00 46.19 43.74 1nfx s LEU 3 CO 0.72 -0.82 0.48 -0.67 -0.29 0.00 0.00 176.35 175.77 1nfx n ASP 4 N 5.09 -0.90 -1.68 3.68 2.03 -1.26 -1.06 116.55 122.45 1nfx n ASP 4 Ca -0.11 -1.01 -0.18 0.00 0.52 0.00 0.00 54.79 54.02 1nfx n ASP 4 Cb 0.41 -2.99 -0.06 0.00 -0.72 0.00 0.00 41.12 37.76 1nfx n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1nfx n ASN 5 N -2.93 -4.79 -0.74 1.67 5.15 -1.20 -1.59 115.26 110.84 1nfx n ASN 5 Ca -0.24 0.37 -0.10 0.00 -0.60 0.00 0.00 54.58 54.02 1nfx n ASN 5 Cb 0.65 -4.24 -0.04 0.00 -0.53 0.00 0.00 39.78 35.61 1nfx n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1nfx n GLY 6 N -0.44 1.06 2.24 8.20 0.00 -0.23 -2.14 105.19 113.88 1nfx n GLY 6 Ca -0.18 -0.25 -0.00 0.00 0.00 0.00 0.00 46.02 45.59 1nfx n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nfx n ASP 7 N -0.41 -3.73 -4.83 1.61 2.03 -0.62 -4.96 116.55 105.64 1nfx n ASP 7 Ca -0.10 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.88 1nfx n ASP 7 Cb 0.42 -1.24 -0.07 0.00 -0.72 0.00 0.00 41.12 39.52 1nfx n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nfx h ASP 9 N 2.24 0.77 0.00 0.00 5.19 -1.82 -3.47 116.42 119.33 1nfx h ASP 9 Ca -0.48 -0.62 0.00 0.00 -0.62 0.00 0.00 57.03 55.30 1nfx h ASP 9 Cb 1.18 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.46 1nfx h ASP 9 CO 0.63 1.27 0.00 0.00 -3.12 0.00 0.00 179.24 178.02 1nfx n GLN 10 N -4.11 0.00 -1.73 3.56 6.02 -1.26 -5.02 117.38 114.84 1nfx n GLN 10 Ca -0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.49 1nfx n GLN 10 Cb 0.65 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.90 1nfx n GLN 10 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1nfx n PHE 11 N 0.00 2.72 -4.76 1.08 3.72 -0.98 -4.90 117.46 114.33 1nfx n PHE 11 Ca 0.00 0.31 -0.27 0.00 -0.05 0.00 0.00 57.45 57.45 1nfx n PHE 11 Cb 0.00 -2.56 -0.17 0.00 -0.94 0.00 0.00 39.48 35.81 1nfx n PHE 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nfx s HIS 13 N 0.52 1.47 -0.30 0.00 3.76 0.03 -4.99 115.29 115.79 1nfx s HIS 13 Ca -0.15 -0.28 -0.10 0.00 -0.15 0.00 0.00 55.06 54.38 1nfx s HIS 13 Cb -0.16 -0.95 -0.03 0.00 1.11 0.00 0.00 32.58 32.56 1nfx s HIS 13 CO 0.05 -0.03 0.16 -1.21 -0.85 0.00 0.00 174.74 172.86 1nfx s GLU 14 N -0.37 3.60 -0.08 1.40 2.02 -1.26 -0.29 118.70 123.72 1nfx s GLU 14 Ca 0.06 -0.54 0.02 0.00 0.02 0.00 0.00 54.97 54.53 1nfx s GLU 14 Cb -0.06 -3.59 0.01 0.00 0.10 0.00 0.00 34.13 30.58 1nfx s GLU 14 CO -0.01 -0.31 -0.15 -1.21 0.02 0.00 0.00 175.26 173.61 1nfx s GLU 15 N 1.68 2.03 -1.56 1.61 2.02 0.13 -4.79 118.70 119.81 1nfx s GLU 15 Ca 0.06 -0.52 -0.11 0.00 0.02 0.00 0.00 54.97 54.42 1nfx s GLU 15 Cb -0.16 -1.66 0.09 0.00 0.10 0.00 0.00 34.13 32.50 1nfx s GLU 15 CO 0.08 0.03 0.72 1.04 0.02 0.00 0.00 175.26 177.15 1nfx n GLN 16 N 3.87 -3.81 -3.05 1.61 6.02 -1.26 0.09 117.38 120.85 1nfx n GLN 16 Ca -0.21 0.44 -0.20 0.00 -0.01 0.00 0.00 57.00 57.02 1nfx n GLN 16 Cb 0.52 -5.02 0.04 0.00 1.02 0.00 0.00 30.24 26.79 1nfx n GLN 16 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1nfx n ASN 17 N -2.81 -5.61 -3.95 1.08 2.85 -1.26 -5.00 115.26 100.55 1nfx n ASN 17 Ca -0.06 -0.30 -0.09 0.00 -0.11 0.00 0.00 54.58 54.01 1nfx n ASN 17 Cb 0.56 -4.39 -0.10 0.00 1.24 0.00 0.00 39.78 37.09 1nfx n ASN 17 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1nfx s SER 18 N -2.88 0.20 -0.10 1.20 0.15 0.11 -5.08 113.70 107.30 1nfx s SER 18 Ca 0.33 -0.47 -0.20 0.00 0.70 0.00 0.00 55.95 56.30 1nfx s SER 18 Cb -0.14 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.28 1nfx s SER 18 CO 0.40 -0.38 0.57 -0.69 1.20 0.00 0.00 173.24 174.34 1nfx s VAL 19 N -1.82 5.13 -0.13 4.45 1.01 -1.26 0.22 120.40 128.00 1nfx s VAL 19 Ca -0.12 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1nfx s VAL 19 Cb -0.07 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1nfx s VAL 19 CO -0.02 0.30 -0.12 0.54 0.00 0.00 0.00 175.10 175.80 1nfx s VAL 20 N 0.70 1.37 0.24 2.92 0.11 0.60 -4.94 120.40 121.40 1nfx s VAL 20 Ca 0.31 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1nfx s VAL 20 Cb -0.16 -1.31 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 1nfx s VAL 20 CO 0.13 0.42 0.42 0.00 -3.33 0.00 0.00 175.10 172.75 1nfx s SER 22 N -3.44 -0.08 0.27 0.00 1.04 -0.66 -4.95 113.70 105.89 1nfx s SER 22 Ca 0.38 -0.87 0.02 0.00 0.48 0.00 0.00 55.95 55.96 1nfx s SER 22 Cb -0.10 0.66 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 1nfx s SER 22 CO 0.30 -1.27 0.08 0.00 0.98 0.00 0.00 173.24 173.33 1nfx s ALA 24 N -3.61 2.77 0.28 0.00 0.00 -1.26 -4.92 121.76 115.02 1nfx s ALA 24 Ca 0.37 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 1nfx s ALA 24 Cb 0.08 -3.15 -0.12 0.00 0.00 0.00 0.00 23.12 19.93 1nfx s ALA 24 CO 0.14 -1.12 1.50 0.54 0.00 0.00 0.00 175.76 176.82 1nfx n ARG 25 N -3.05 2.42 0.00 0.00 1.74 -1.26 -1.77 116.66 114.73 1nfx n ARG 25 Ca 0.07 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 1nfx n ARG 25 Cb 0.54 -2.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 1nfx n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nfx n GLY 26 N 1.94 0.65 3.20 -0.13 0.00 -1.26 -4.71 105.19 104.87 1nfx n GLY 26 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1nfx n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nfx s TYR 27 N -2.00 1.09 -0.01 1.61 1.51 -0.73 -0.52 117.35 118.30 1nfx s TYR 27 Ca 0.00 -0.76 0.02 0.00 -1.01 0.00 0.00 57.07 55.32 1nfx s TYR 27 Cb 0.00 -0.58 0.00 0.00 -0.11 0.00 0.00 41.96 41.27 1nfx s TYR 27 CO 0.00 -0.01 -0.05 0.95 -1.11 0.00 0.00 175.55 175.33 1nfx s THR 28 N -3.05 0.45 0.19 -0.71 -4.23 0.68 -4.79 115.64 104.19 1nfx s THR 28 Ca 0.11 -0.21 -0.31 0.00 -1.18 0.00 0.00 61.69 60.09 1nfx s THR 28 Cb 0.01 -0.40 -0.11 0.00 1.34 0.00 0.00 72.50 73.34 1nfx s THR 28 CO -0.01 0.14 1.60 -0.22 -0.54 0.00 0.00 174.62 175.59 1nfx s LEU 29 N 0.07 4.37 1.09 4.79 2.96 -1.26 0.42 118.68 131.12 1nfx s LEU 29 Ca -0.00 2.72 -0.13 0.00 -0.22 0.00 0.00 54.13 56.49 1nfx s LEU 29 Cb -0.05 -3.60 0.24 0.00 0.50 0.00 0.00 46.19 43.29 1nfx s LEU 29 CO -0.00 -0.86 1.06 0.00 -1.32 0.00 0.00 176.35 175.23 1nfx s ALA 30 N 0.98 0.25 0.65 5.97 0.00 0.11 -4.85 121.76 124.87 1nfx s ALA 30 Ca 0.70 -0.34 0.41 0.00 0.00 0.00 0.00 51.96 52.73 1nfx s ALA 30 Cb -0.46 -3.14 2.28 0.00 0.00 0.00 0.00 23.12 21.80 1nfx s ALA 30 CO 0.34 -3.36 2.34 0.22 0.00 0.00 0.00 175.76 175.29 1nfx h ASP 31 N -2.29 0.00 -0.26 0.00 3.58 -1.94 -0.84 116.42 114.68 1nfx h ASP 31 Ca -0.58 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.87 1nfx h ASP 31 Cb 1.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.39 1nfx h ASP 31 CO 0.54 0.00 0.00 -0.46 -2.88 0.00 0.00 179.24 176.44 1nfx n ASN 32 N -3.28 1.77 -1.03 2.28 0.23 -1.26 -4.89 115.26 109.09 1nfx n ASN 32 Ca -0.03 -2.08 -0.11 0.00 -0.53 0.00 0.00 54.58 51.83 1nfx n ASN 32 Cb 0.08 -0.27 -0.05 0.00 -2.08 0.00 0.00 39.78 37.46 1nfx n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nfx n GLY 33 N 0.77 1.03 1.31 4.83 0.00 -0.32 -4.67 105.19 108.15 1nfx n GLY 33 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1nfx n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nfx n LYS 34 N -1.23 0.00 -1.66 1.61 5.02 -1.26 -4.17 118.16 116.46 1nfx n LYS 34 Ca -0.11 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.84 1nfx n LYS 34 Cb 0.46 -0.36 0.06 0.00 -0.02 0.00 0.00 35.03 35.18 1nfx n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nfx s ALA 35 N -2.00 2.33 -0.18 7.82 0.00 -1.26 -2.55 121.76 125.92 1nfx s ALA 35 Ca 0.00 0.76 -0.00 0.00 0.00 0.00 0.00 51.96 52.72 1nfx s ALA 35 Cb 0.00 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1nfx s ALA 35 CO 0.00 -1.51 -0.15 0.00 0.00 0.00 0.00 175.76 174.10 1nfx s ILE 37 N 1.15 4.93 0.25 0.00 -1.09 0.17 -4.87 121.20 121.75 1nfx s ILE 37 Ca 0.01 0.04 -0.31 0.00 -2.23 0.00 0.00 60.65 58.16 1nfx s ILE 37 Cb -0.14 -3.31 -0.12 0.00 -1.58 0.00 0.00 42.46 37.31 1nfx s ILE 37 CO -0.06 0.33 1.62 -2.65 -1.23 0.00 0.00 174.94 172.95 1nfx n PRO 38 N 4.60 2.62 0.10 2.79 -0.02 -1.26 -0.23 135.00 143.61 1nfx n PRO 38 Ca -0.15 0.94 -0.03 0.00 -2.02 0.00 0.00 63.50 62.24 1nfx n PRO 38 Cb 0.52 -2.73 0.01 0.00 -0.02 0.00 0.00 33.50 31.28 1nfx n PRO 38 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1nfx h THR 39 N 3.49 1.43 -1.07 3.45 2.02 -1.13 -3.46 112.91 117.64 1nfx h THR 39 Ca -0.45 -2.75 0.00 0.00 0.77 0.00 0.00 66.41 63.98 1nfx h THR 39 Cb 1.22 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 1nfx h THR 39 CO 0.85 0.75 0.00 0.61 0.37 0.00 0.00 175.52 178.11 1nfx n GLY 40 N 0.98 3.57 3.79 2.16 0.00 -1.26 -5.08 105.19 109.36 1nfx n GLY 40 Ca 0.00 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 1nfx n GLY 40 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nfx s PRO 41 N 0.78 4.40 -0.98 1.61 0.02 -1.26 -4.28 135.00 135.29 1nfx s PRO 41 Ca 0.00 1.31 -0.08 0.00 0.02 0.00 0.00 61.00 62.25 1nfx s PRO 41 Cb 0.00 -2.57 -0.03 0.00 0.02 0.00 0.00 34.50 31.92 1nfx s PRO 41 CO 0.00 0.11 0.81 0.66 -0.33 0.00 0.00 177.00 178.24 1nfx n TYR 42 N 0.09 -2.43 -2.52 6.54 4.01 -1.26 -4.98 117.16 116.62 1nfx n TYR 42 Ca 0.04 0.82 -0.34 0.00 -0.16 0.00 0.00 57.90 58.26 1nfx n TYR 42 Cb 0.51 -3.85 -0.03 0.00 -0.31 0.00 0.00 39.34 35.66 1nfx n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1nfx s PRO 43 N -4.49 3.79 0.77 -0.72 0.04 -1.26 -4.99 135.00 128.14 1nfx s PRO 43 Ca 0.31 1.33 -0.15 0.00 0.04 0.00 0.00 61.00 62.54 1nfx s PRO 43 Cb -0.07 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.40 1nfx s PRO 43 CO 0.79 -0.44 0.90 0.00 0.04 0.00 0.00 177.00 178.28 1nfx n GLY 45 N 1.07 0.42 3.58 0.00 0.00 -1.26 -5.00 105.19 104.00 1nfx n GLY 45 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1nfx n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfx s LYS 46 N -0.67 3.24 0.40 1.61 -0.14 -1.21 -5.10 119.74 117.88 1nfx s LYS 46 Ca 0.00 -0.49 -0.25 0.00 -1.36 0.00 0.00 55.97 53.88 1nfx s LYS 46 Cb 0.00 -2.81 -0.09 0.00 -1.68 0.00 0.00 37.83 33.26 1nfx s LYS 46 CO 0.00 0.49 1.09 -0.65 -0.76 0.00 0.00 175.35 175.52 1nfx s GLN 47 N -0.31 4.13 -0.04 1.68 -0.21 -1.26 -4.95 119.66 118.69 1nfx s GLN 47 Ca 0.05 1.64 -0.27 0.00 0.02 0.00 0.00 55.36 56.80 1nfx s GLN 47 Cb -0.12 -2.61 -0.03 0.00 1.00 0.00 0.00 33.01 31.25 1nfx s GLN 47 CO 0.02 -0.21 0.87 0.95 -2.12 0.00 0.00 175.29 174.81 1nfx s THR 48 N -1.55 4.93 -0.87 -0.19 -4.23 -1.26 -4.94 115.64 107.53 1nfx s THR 48 Ca 0.57 1.81 0.19 0.00 -1.18 0.00 0.00 61.69 63.09 1nfx s THR 48 Cb -0.26 -4.21 -0.21 0.00 1.34 0.00 0.00 72.50 69.16 1nfx s THR 48 CO 0.32 0.17 0.80 0.18 -0.54 0.00 0.00 174.62 175.55 1nfx n LEU 49 N 4.04 0.87 0.00 4.79 4.77 -1.26 -5.28 117.00 124.93 1nfx n LEU 49 Ca 0.04 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1nfx n LEU 49 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1nfx n LEU 49 CO 0.50 0.22 0.00 -1.84 -1.33 0.00 0.00 177.39 174.94