#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brz s LYS 3 N 0.00 0.87 0.00 -1.24 2.20 -1.26 -5.05 119.74 115.26 1brz s LYS 3 Ca 0.00 -0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.50 1brz s LYS 3 Cb 0.00 0.40 0.03 0.00 -1.51 0.00 0.00 37.83 36.75 1brz s LYS 3 CO 0.00 -0.27 0.77 0.00 -0.36 0.00 0.00 175.35 175.49 1brz s LYS 5 N 0.00 0.02 -0.24 0.00 0.00 -1.26 -0.17 119.74 118.10 1brz s LYS 5 Ca 0.02 0.48 -0.11 0.00 0.00 0.00 0.00 55.97 56.37 1brz s LYS 5 Cb 0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 37.83 37.52 1brz s LYS 5 CO -0.01 -0.28 0.16 0.15 0.00 0.00 0.00 175.35 175.37 1brz s LYS 6 N 1.99 4.08 0.09 1.78 3.01 0.70 -4.87 119.74 126.53 1brz s LYS 6 Ca 0.00 -0.26 -0.31 0.00 -1.01 0.00 0.00 55.97 54.40 1brz s LYS 6 Cb -0.12 -3.53 -0.08 0.00 -1.01 0.00 0.00 37.83 33.09 1brz s LYS 6 CO -0.05 0.08 1.50 0.14 0.51 0.00 0.00 175.35 177.53 1brz s VAL 7 N 1.00 3.14 -0.48 3.17 -7.23 -1.26 -1.27 120.40 117.46 1brz s VAL 7 Ca 0.08 0.73 -0.29 0.00 -1.81 0.00 0.00 61.98 60.69 1brz s VAL 7 Cb -0.13 -3.47 -0.30 0.00 0.56 0.00 0.00 36.38 33.04 1brz s VAL 7 CO 0.04 0.03 1.81 0.00 -0.31 0.00 0.00 175.10 176.67 1brz n TYR 8 N 4.63 0.57 0.00 2.82 4.19 0.12 -4.84 117.16 124.66 1brz n TYR 8 Ca 0.13 -0.53 0.00 0.00 3.31 0.00 0.00 57.90 60.82 1brz n TYR 8 Cb 0.41 -1.54 0.00 0.00 0.49 0.00 0.00 39.34 38.70 1brz n TYR 8 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1brz n GLU 9 N 7.99 0.00 0.00 2.98 4.71 -1.26 -4.02 120.64 131.04 1brz n GLU 9 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.60 1brz n GLU 9 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.87 1brz n GLU 9 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1brz n ASN 10 N 0.00 0.00 -0.18 1.62 5.15 -1.26 -4.90 115.26 115.69 1brz n ASN 10 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1brz n ASN 10 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1brz n TYR 11 N 0.00 0.00 -1.57 1.20 4.19 -1.26 -4.72 117.16 115.00 1brz n TYR 11 Ca 0.00 0.00 -0.54 0.00 3.31 0.00 0.00 57.90 60.67 1brz n TYR 11 Cb 0.00 -0.18 -0.07 0.00 0.49 0.00 0.00 39.34 39.58 1brz n TYR 11 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1brz n PRO 12 N 0.50 1.14 -0.14 2.98 -0.02 -1.26 -4.81 135.00 133.39 1brz n PRO 12 Ca 0.00 0.38 -0.04 0.00 -2.02 0.00 0.00 63.50 61.82 1brz n PRO 12 Cb 0.00 -2.25 0.02 0.00 -0.02 0.00 0.00 33.50 31.25 1brz n PRO 12 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1brz h VAL 13 N 6.10 0.52 0.00 -1.45 2.07 -1.93 -3.38 116.25 118.18 1brz h VAL 13 Ca -0.37 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1brz h VAL 13 Cb 1.32 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1brz h VAL 13 CO 0.99 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 177.04 1brz n SER 14 N -5.34 0.00 0.00 0.57 3.41 -1.26 -1.74 113.62 109.25 1brz n SER 14 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1brz n SER 14 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1brz n SER 14 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1brz n LYS 15 N 0.00 0.00 -1.96 4.33 3.00 -1.26 -4.91 118.16 117.36 1brz n LYS 15 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 1brz n LYS 15 Cb 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 35.03 34.57 1brz n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1brz n GLN 17 N 0.04 3.34 -2.93 0.00 6.02 -1.26 -5.06 117.38 117.53 1brz n GLN 17 Ca -0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.92 1brz n GLN 17 Cb 0.27 -0.44 0.02 0.00 1.02 0.00 0.00 30.24 31.10 1brz n GLN 17 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1brz n LEU 18 N -0.19 0.00 0.00 1.08 4.77 -1.26 -5.11 117.00 116.29 1brz n LEU 18 Ca 0.00 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.74 1brz n LEU 18 Cb 0.00 2.09 0.00 0.00 -2.33 0.00 0.00 43.42 43.18 1brz n LEU 18 CO 0.00 -0.41 0.00 0.00 -1.33 0.00 0.00 177.39 175.65 1brz n ALA 19 N -1.50 0.00 -0.18 -1.18 0.00 -1.26 -4.50 120.51 111.89 1brz n ALA 19 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1brz n ALA 19 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1brz n ALA 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1brz n ASN 20 N 0.00 0.00 0.00 0.00 5.15 -1.26 -4.66 115.26 114.49 1brz n ASN 20 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1brz n ASN 20 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1brz n ASN 20 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1brz n GLN 21 N 0.00 0.00 -0.19 1.20 3.00 -1.26 0.11 117.38 120.23 1brz n GLN 21 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1brz n GLN 21 Cb 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 30.24 30.08 1brz n GLN 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1brz n ASN 23 N -4.91 0.00 0.05 0.00 5.15 -0.86 0.07 115.26 114.75 1brz n ASN 23 Ca 0.07 0.91 -0.15 0.00 -0.60 0.00 0.00 54.58 54.81 1brz n ASN 23 Cb 0.20 -0.41 -0.09 0.00 -0.53 0.00 0.00 39.78 38.95 1brz n ASN 23 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1brz h TYR 24 N 0.00 -1.52 -0.32 1.20 3.20 0.74 0.87 116.97 121.14 1brz h TYR 24 Ca 0.00 0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.99 1brz h TYR 24 Cb 0.00 0.67 -0.08 0.00 1.54 0.00 0.00 36.73 38.86 1brz h TYR 24 CO -0.20 -0.56 -0.33 -0.44 -1.64 0.00 0.00 178.16 174.98 1brz h ASP 25 N -0.65 -1.08 -0.86 -2.11 3.32 -1.33 0.66 116.42 114.38 1brz h ASP 25 Ca 0.02 0.18 0.10 0.00 0.02 0.00 0.00 57.03 57.36 1brz h ASP 25 Cb 0.71 0.49 -0.08 0.00 0.22 0.00 0.00 39.33 40.67 1brz h ASP 25 CO -0.37 -0.33 0.50 0.00 -1.72 0.00 0.00 179.24 177.32 1brz n LYS 27 N -4.73 0.11 0.00 0.00 4.81 0.27 -1.12 118.16 117.48 1brz n LYS 27 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1brz n LYS 27 Cb 0.31 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.35 1brz n LYS 27 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1brz n LEU 28 N -0.41 0.00 0.16 3.14 0.00 0.44 -4.71 117.00 115.62 1brz n LEU 28 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 56.01 56.13 1brz n LEU 28 Cb 0.00 0.20 0.55 0.00 0.00 0.00 0.00 43.42 44.18 1brz n LEU 28 CO 0.00 -0.20 0.87 0.44 0.00 0.00 0.00 177.39 178.50 1brz h ASP 29 N 0.00 0.00 -0.00 1.96 5.19 0.58 -3.00 116.42 121.15 1brz h ASP 29 Ca 0.00 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 1brz h ASP 29 Cb 0.00 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 39.14 1brz h ASP 29 CO 0.00 0.00 -0.99 0.29 -3.12 0.00 0.00 179.24 175.42 1brz n LYS 30 N -2.34 0.01 -3.25 3.56 5.02 -1.19 -4.98 118.16 115.00 1brz n LYS 30 Ca 0.01 -1.94 -0.24 0.00 -2.02 0.00 0.00 58.31 54.11 1brz n LYS 30 Cb 0.18 0.02 -0.05 0.00 -0.02 0.00 0.00 35.03 35.17 1brz n LYS 30 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1brz n HIS 31 N 0.46 -0.77 -2.16 2.13 8.25 -1.14 -4.85 115.22 117.14 1brz n HIS 31 Ca 0.04 0.39 -0.17 0.00 -0.26 0.00 0.00 57.72 57.71 1brz n HIS 31 Cb 1.12 -1.11 0.10 0.00 1.12 0.00 0.00 29.99 31.22 1brz n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1brz n ALA 32 N -2.61 -0.31 -0.05 -1.41 0.00 -0.28 -4.94 120.51 110.91 1brz n ALA 32 Ca 0.07 -1.28 -0.18 0.00 0.00 0.00 0.00 53.44 52.05 1brz n ALA 32 Cb 0.28 0.11 -0.13 0.00 0.00 0.00 0.00 19.45 19.71 1brz n ALA 32 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1brz n ARG 33 N -2.51 0.71 0.00 0.00 3.00 0.10 -4.47 116.66 113.49 1brz n ARG 33 Ca 0.11 0.21 0.00 0.00 -0.00 0.00 0.00 57.85 58.18 1brz n ARG 33 Cb 0.40 -1.65 0.00 0.00 0.00 0.00 0.00 32.46 31.21 1brz n ARG 33 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1brz n SER 34 N -3.32 0.00 0.00 6.15 3.41 -0.47 -4.80 113.62 114.59 1brz n SER 34 Ca -0.35 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 1brz n SER 34 Cb 1.04 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 1brz n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1brz n GLY 35 N 0.00 1.87 3.59 5.00 0.00 -1.26 -0.71 105.19 113.69 1brz n GLY 35 Ca 0.00 -1.04 0.03 0.00 0.00 0.00 0.00 46.02 45.01 1brz n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1brz s GLU 36 N -2.00 0.18 -0.11 1.61 -6.30 -0.10 -3.39 118.70 108.59 1brz s GLU 36 Ca 0.00 -0.10 -0.23 0.00 -2.50 0.00 0.00 54.97 52.14 1brz s GLU 36 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 34.13 34.16 1brz s GLU 36 CO 0.00 -0.08 0.71 0.00 0.02 0.00 0.00 175.26 175.91 1brz s PHE 38 N 1.30 0.77 0.29 0.00 0.08 -0.40 -4.87 117.98 115.15 1brz s PHE 38 Ca 0.36 -1.13 0.02 0.00 0.12 0.00 0.00 56.93 56.30 1brz s PHE 38 Cb -0.17 -0.37 -0.01 0.00 -0.57 0.00 0.00 43.02 41.90 1brz s PHE 38 CO 0.15 -0.59 0.34 2.48 -0.10 0.00 0.00 175.22 177.50 1brz n TYR 39 N -0.15 -1.04 -4.62 0.36 4.11 -1.25 -0.89 117.16 113.69 1brz n TYR 39 Ca -0.05 -2.13 -0.27 0.00 -0.00 0.00 0.00 57.90 55.45 1brz n TYR 39 Cb 0.64 0.38 -0.06 0.00 -0.00 0.00 0.00 39.34 40.29 1brz n TYR 39 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1brz n ASP 40 N -1.79 2.88 -2.07 9.48 5.75 -1.26 -4.96 116.55 124.59 1brz n ASP 40 Ca 0.03 -2.92 -0.01 0.00 -0.01 0.00 0.00 54.79 51.89 1brz n ASP 40 Cb 0.50 0.41 -0.01 0.00 -1.03 0.00 0.00 41.12 40.99 1brz n ASP 40 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1brz n GLU 41 N -1.04 0.22 0.00 0.11 0.00 -1.26 -1.70 120.64 116.96 1brz n GLU 41 Ca -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 57.16 56.95 1brz n GLU 41 Cb 0.55 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.53 1brz n GLU 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1brz n LYS 42 N 2.21 2.77 -0.78 5.31 4.76 -1.26 -5.08 118.16 126.10 1brz n LYS 42 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1brz n LYS 42 Cb 0.10 -0.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.75 1brz n LYS 42 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1brz n ARG 43 N -0.38 0.00 -3.52 1.97 3.00 -0.69 -5.10 116.66 111.94 1brz n ARG 43 Ca 0.00 0.04 -0.23 0.00 -0.00 0.00 0.00 57.85 57.66 1brz n ARG 43 Cb 0.02 -0.78 -0.14 0.00 0.00 0.00 0.00 32.46 31.56 1brz n ARG 43 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1brz s ASN 44 N -2.45 2.23 0.05 6.15 -0.87 -1.26 -5.01 114.94 113.78 1brz s ASN 44 Ca 0.00 -0.69 -0.23 0.00 -1.57 0.00 0.00 52.86 50.37 1brz s ASN 44 Cb 0.00 0.06 -0.06 0.00 -0.02 0.00 0.00 41.25 41.23 1brz s ASN 44 CO 0.00 -0.37 0.69 -0.76 -2.57 0.00 0.00 177.10 174.08 1brz s LEU 45 N 2.23 4.47 0.03 0.60 1.43 -1.26 -3.93 118.68 122.25 1brz s LEU 45 Ca 0.07 1.36 -0.08 0.00 -1.03 0.00 0.00 54.13 54.44 1brz s LEU 45 Cb -0.16 -3.10 -0.00 0.00 0.03 0.00 0.00 46.19 42.97 1brz s LEU 45 CO -0.21 0.11 0.16 -1.58 0.23 0.00 0.00 176.35 175.06 1brz s GLN 46 N -0.40 0.63 -0.65 1.70 2.00 -0.06 -4.72 119.66 118.15 1brz s GLN 46 Ca 0.34 -0.61 -0.27 0.00 -2.00 0.00 0.00 55.36 52.82 1brz s GLN 46 Cb -0.20 0.26 0.01 0.00 0.80 0.00 0.00 33.01 33.88 1brz s GLN 46 CO 0.21 -0.17 1.49 0.00 -0.50 0.00 0.00 175.29 176.32 1brz s ILE 48 N 6.84 5.00 -0.31 0.00 1.09 0.10 0.12 121.20 134.04 1brz s ILE 48 Ca 0.49 1.17 -0.16 0.00 -1.10 0.00 0.00 60.65 61.06 1brz s ILE 48 Cb -0.10 -3.94 -0.02 0.00 -1.06 0.00 0.00 42.46 37.33 1brz s ILE 48 CO 0.19 0.07 0.40 0.00 -0.10 0.00 0.00 174.94 175.50 1brz s ASP 50 N 1.70 6.85 -0.10 0.00 -1.08 0.12 -0.21 116.67 123.93 1brz s ASP 50 Ca 0.15 1.01 0.16 0.00 -0.52 0.00 0.00 52.55 53.35 1brz s ASP 50 Cb -0.16 -2.32 -0.24 0.00 -1.46 0.00 0.00 42.92 38.74 1brz s ASP 50 CO 0.11 0.09 0.20 -1.22 0.52 0.00 0.00 175.17 174.88 1brz n TYR 51 N 2.95 0.00 -3.34 -5.34 4.01 0.77 0.02 117.16 116.22 1brz n TYR 51 Ca -0.08 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.45 1brz n TYR 51 Cb 0.51 -0.64 -0.09 0.00 -0.31 0.00 0.00 39.34 38.81 1brz n TYR 51 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1brz n GLU 53 N 3.72 0.63 -0.46 0.00 4.07 -1.26 -4.92 120.64 122.42 1brz n GLU 53 Ca 0.17 -1.38 0.00 0.00 -0.06 0.00 0.00 57.16 55.89 1brz n GLU 53 Cb 0.45 -0.61 0.00 0.00 -0.06 0.00 0.00 31.44 31.22 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73