#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brz n LYS 3 N 0.00 -4.62 0.00 -0.67 3.00 -1.26 -5.02 118.16 109.59 1brz n LYS 3 Ca 0.00 3.38 0.00 0.00 -0.00 0.00 0.00 58.31 61.69 1brz n LYS 3 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 35.03 31.21 1brz n LYS 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1brz s LYS 5 N 0.00 4.05 -0.07 0.00 3.01 -1.26 -1.36 119.74 124.11 1brz s LYS 5 Ca 0.00 -0.08 -0.12 0.00 -1.01 0.00 0.00 55.97 54.76 1brz s LYS 5 Cb 0.00 -3.60 0.03 0.00 -1.01 0.00 0.00 37.83 33.25 1brz s LYS 5 CO 0.00 -0.11 0.30 0.15 0.51 0.00 0.00 175.35 176.20 1brz s LYS 6 N 1.56 0.49 0.95 1.68 1.02 -0.51 -5.00 119.74 119.94 1brz s LYS 6 Ca 0.12 0.14 -0.11 0.00 0.02 0.00 0.00 55.97 56.14 1brz s LYS 6 Cb -0.15 0.23 0.16 0.00 -0.52 0.00 0.00 37.83 37.55 1brz s LYS 6 CO 0.08 -0.10 1.11 0.14 -0.92 0.00 0.00 175.35 175.66 1brz s VAL 7 N -0.51 2.23 0.36 3.17 -7.23 -1.26 -0.51 120.40 116.65 1brz s VAL 7 Ca -0.06 0.08 0.14 0.00 -1.81 0.00 0.00 61.98 60.32 1brz s VAL 7 Cb -0.04 -2.19 0.10 0.00 0.56 0.00 0.00 36.38 34.81 1brz s VAL 7 CO 0.02 -0.10 1.83 0.10 -0.31 0.00 0.00 175.10 176.64 1brz h TYR 8 N -1.93 0.00 -1.96 2.82 -0.00 -1.28 -3.42 116.97 111.20 1brz h TYR 8 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.26 1brz h TYR 8 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.01 1brz h TYR 8 CO 0.46 0.37 0.00 -0.85 -0.00 0.00 0.00 178.16 178.14 1brz n GLU 9 N -4.04 -0.36 0.00 0.10 0.00 -1.26 -4.75 120.64 110.34 1brz n GLU 9 Ca -0.02 0.34 0.00 0.00 0.00 0.00 0.00 57.16 57.49 1brz n GLU 9 Cb 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 31.44 31.59 1brz n GLU 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1brz n ASN 10 N 1.55 0.00 0.00 -1.84 3.02 -1.26 -5.14 115.26 111.59 1brz n ASN 10 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1brz n ASN 10 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1brz n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1brz n TYR 11 N 0.00 0.00 -1.42 3.10 9.36 -1.26 -5.11 117.16 121.83 1brz n TYR 11 Ca 0.00 0.00 -0.57 0.00 3.32 0.00 0.00 57.90 60.65 1brz n TYR 11 Cb 0.00 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 38.62 1brz n TYR 11 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1brz n PRO 12 N 0.00 0.52 -0.89 2.98 -0.02 -1.26 -4.68 135.00 131.65 1brz n PRO 12 Ca 0.00 0.16 -0.27 0.00 -2.02 0.00 0.00 63.50 61.37 1brz n PRO 12 Cb 0.00 -1.91 -0.09 0.00 -0.02 0.00 0.00 33.50 31.47 1brz n PRO 12 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1brz n VAL 13 N 6.30 0.00 0.28 -1.45 0.31 -1.26 -4.59 118.33 117.92 1brz n VAL 13 Ca 0.45 -0.11 0.14 0.00 -0.01 0.00 0.00 64.34 64.81 1brz n VAL 13 Cb 0.07 -1.56 0.79 0.00 -0.91 0.00 0.00 33.84 32.24 1brz n VAL 13 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1brz h SER 14 N 9.93 0.00 -5.01 4.52 4.64 -2.03 -3.45 113.55 122.15 1brz h SER 14 Ca 0.13 0.00 0.26 0.00 -0.47 0.00 0.00 61.79 61.71 1brz h SER 14 Cb 0.77 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.72 1brz h SER 14 CO 1.47 0.08 0.75 -0.75 -0.87 0.00 0.00 176.83 177.51 1brz s LYS 15 N -4.26 0.50 0.00 4.77 2.20 -1.26 -5.08 119.74 116.62 1brz s LYS 15 Ca -0.03 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1brz s LYS 15 Cb 0.13 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.65 1brz s LYS 15 CO 0.56 -0.23 0.01 0.00 -0.36 0.00 0.00 175.35 175.33 1brz h GLN 17 N 0.00 0.10 0.40 0.00 1.08 -2.01 -3.40 115.11 111.29 1brz h GLN 17 Ca 0.00 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.00 1brz h GLN 17 Cb 0.33 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1brz h GLN 17 CO 0.00 0.79 -0.19 -0.07 -0.95 0.00 0.00 178.83 178.41 1brz h LEU 18 N 0.03 -0.45 0.00 1.46 3.38 -2.03 -3.49 115.31 114.20 1brz h LEU 18 Ca -0.30 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1brz h LEU 18 Cb 2.01 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.88 1brz h LEU 18 CO 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.61 1brz n ALA 19 N -2.68 0.00 0.04 1.53 0.00 -1.26 -5.05 120.51 113.08 1brz n ALA 19 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1brz n ALA 19 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1brz n ALA 19 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1brz n ASN 20 N 0.00 -0.65 0.00 0.00 6.94 -1.26 -4.80 115.26 115.49 1brz n ASN 20 Ca 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 54.58 54.72 1brz n ASN 20 Cb 0.00 0.92 0.00 0.00 -2.36 0.00 0.00 39.78 38.34 1brz n ASN 20 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1brz n GLN 21 N -2.69 0.00 -0.28 -3.83 1.13 -1.26 0.79 117.38 111.25 1brz n GLN 21 Ca 0.00 0.46 -0.04 0.00 -1.94 0.00 0.00 57.00 55.48 1brz n GLN 21 Cb 0.00 -1.16 0.07 0.00 0.11 0.00 0.00 30.24 29.26 1brz n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1brz n ASN 23 N -4.56 0.00 -0.33 0.00 4.05 -1.10 -0.70 115.26 112.62 1brz n ASN 23 Ca 0.08 0.65 0.20 0.00 0.45 0.00 0.00 54.58 55.96 1brz n ASN 23 Cb 0.03 -0.15 0.46 0.00 1.23 0.00 0.00 39.78 41.34 1brz n ASN 23 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1brz h TYR 24 N 0.00 0.80 0.02 1.20 3.20 0.32 0.06 116.97 122.57 1brz h TYR 24 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1brz h TYR 24 Cb 0.00 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.04 1brz h TYR 24 CO -0.02 0.07 -0.02 -0.44 -1.64 0.00 0.00 178.16 176.11 1brz h ASP 25 N 0.48 -0.06 -0.97 -2.11 3.32 -0.77 -2.51 116.42 113.79 1brz h ASP 25 Ca 0.61 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.86 1brz h ASP 25 Cb 1.38 0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.86 1brz h ASP 25 CO -0.36 -0.03 0.61 0.00 -1.72 0.00 0.00 179.24 177.74 1brz n LYS 27 N -4.66 0.00 0.00 0.00 5.02 -0.04 0.16 118.16 118.64 1brz n LYS 27 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1brz n LYS 27 Cb 0.61 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 1brz n LYS 27 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1brz n LEU 28 N -0.78 0.00 0.00 -0.35 -0.00 0.18 -4.42 117.00 111.63 1brz n LEU 28 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.07 1brz n LEU 28 Cb 0.00 0.14 0.28 0.00 -0.00 0.00 0.00 43.42 43.84 1brz n LEU 28 CO 0.00 -0.14 0.67 0.47 -0.00 0.00 0.00 177.39 178.39 1brz n ASP 29 N -1.66 0.00 -0.17 1.96 8.00 1.34 -2.54 116.55 123.49 1brz n ASP 29 Ca 0.00 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1brz n ASP 29 Cb 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 1brz n ASP 29 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1brz n LYS 30 N -1.40 0.00 -3.38 -1.24 5.02 -1.18 -4.91 118.16 111.06 1brz n LYS 30 Ca 0.04 -0.66 -0.23 0.00 -2.02 0.00 0.00 58.31 55.44 1brz n LYS 30 Cb 0.12 -0.49 0.06 0.00 -0.02 0.00 0.00 35.03 34.70 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 0.00 -2.55 -1.56 2.13 8.25 -1.05 -4.99 115.22 115.44 1brz n HIS 31 Ca 0.00 0.83 0.00 0.00 -0.26 0.00 0.00 57.72 58.29 1brz n HIS 31 Cb 0.57 -4.85 0.00 0.00 1.12 0.00 0.00 29.99 26.83 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 -4.47 0.00 0.00 -1.41 0.00 0.12 -4.92 120.51 109.84 1brz n ALA 32 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1brz n ALA 32 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.61 0.00 -3.65 0.00 0.63 0.24 -4.54 116.66 108.73 1brz n ARG 33 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 1brz n ARG 33 Cb 0.00 -0.35 -0.06 0.00 0.45 0.00 0.00 32.46 32.50 1brz n ARG 33 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1brz s SER 34 N -4.74 -0.94 0.28 6.15 1.04 -0.30 -4.82 113.70 110.37 1brz s SER 34 Ca 0.00 1.44 0.03 0.00 0.48 0.00 0.00 55.95 57.90 1brz s SER 34 Cb 0.00 1.76 -0.01 0.00 0.10 0.00 0.00 66.02 67.87 1brz s SER 34 CO 0.00 -0.23 0.10 0.61 0.98 0.00 0.00 173.24 174.70 1brz n GLY 35 N 4.94 3.52 3.59 7.32 0.00 -1.26 -0.11 105.19 123.20 1brz n GLY 35 Ca -0.15 -2.06 -0.05 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.08 0.32 0.05 1.61 2.12 -0.26 -4.81 118.70 114.66 1brz s GLU 36 Ca 0.14 -0.10 -0.19 0.00 0.36 0.00 0.00 54.97 55.18 1brz s GLU 36 Cb 0.01 0.15 -0.06 0.00 0.26 0.00 0.00 34.13 34.48 1brz s GLU 36 CO 0.10 -0.13 0.56 0.00 -0.54 0.00 0.00 175.26 175.24 1brz s PHE 38 N -0.93 -0.08 0.24 0.00 0.08 -0.27 -4.94 117.98 112.07 1brz s PHE 38 Ca 0.29 -0.05 -0.22 0.00 0.12 0.00 0.00 56.93 57.08 1brz s PHE 38 Cb -0.19 0.07 0.05 0.00 -0.57 0.00 0.00 43.02 42.38 1brz s PHE 38 CO 0.18 -0.48 0.86 1.52 -0.10 0.00 0.00 175.22 177.21 1brz s TYR 39 N -2.42 -0.08 0.00 0.36 1.13 -1.26 -1.49 117.35 113.58 1brz s TYR 39 Ca -0.06 -0.35 0.00 0.00 -1.41 0.00 0.00 57.07 55.25 1brz s TYR 39 Cb -0.01 0.70 0.00 0.00 -1.10 0.00 0.00 41.96 41.55 1brz s TYR 39 CO -0.03 -1.10 0.00 -0.40 -2.51 0.00 0.00 175.55 171.51 1brz n ASP 40 N -0.72 0.06 0.00 -0.18 5.68 -1.26 -4.98 116.55 115.15 1brz n ASP 40 Ca -0.05 -0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 1brz n ASP 40 Cb 0.60 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1brz n ASP 40 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1brz n GLU 41 N 0.00 0.00 -0.13 0.11 2.13 -1.26 -0.49 120.64 121.01 1brz n GLU 41 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 1brz n GLU 41 Cb 0.00 -1.35 0.29 0.00 0.27 0.00 0.00 31.44 30.66 1brz n GLU 41 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1brz n LYS 42 N -0.85 2.07 -0.35 5.31 3.00 -1.26 -4.89 118.16 121.19 1brz n LYS 42 Ca 0.00 -1.62 -0.00 0.00 -0.00 0.00 0.00 58.31 56.69 1brz n LYS 42 Cb 0.00 -1.44 -0.00 0.00 0.00 0.00 0.00 35.03 33.59 1brz n LYS 42 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1brz n ARG 43 N 0.85 -1.97 -3.11 1.64 0.63 0.35 -4.81 116.66 110.24 1brz n ARG 43 Ca 0.17 0.17 -0.45 0.00 -0.92 0.00 0.00 57.85 56.82 1brz n ARG 43 Cb 0.45 -3.34 -0.04 0.00 0.45 0.00 0.00 32.46 29.98 1brz n ARG 43 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1brz s ASN 44 N -0.67 6.33 -0.09 6.15 0.02 -1.26 -4.98 114.94 120.44 1brz s ASN 44 Ca 0.00 -1.70 -0.20 0.00 -1.02 0.00 0.00 52.86 49.94 1brz s ASN 44 Cb 0.00 -2.30 -0.04 0.00 0.02 0.00 0.00 41.25 38.93 1brz s ASN 44 CO 0.00 -1.04 0.58 -0.22 0.02 0.00 0.00 177.10 176.44 1brz s LEU 45 N 2.35 4.30 0.06 0.60 2.96 -1.26 -4.42 118.68 123.26 1brz s LEU 45 Ca 0.15 0.99 0.01 0.00 -0.22 0.00 0.00 54.13 55.07 1brz s LEU 45 Cb -0.19 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.59 1brz s LEU 45 CO 0.02 -0.04 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.85 1brz s GLN 46 N 0.65 0.59 -0.40 1.98 1.11 -0.56 -4.96 119.66 118.07 1brz s GLN 46 Ca 0.31 -0.98 -0.19 0.00 0.01 0.00 0.00 55.36 54.51 1brz s GLN 46 Cb -0.16 -0.12 0.01 0.00 -1.01 0.00 0.00 33.01 31.73 1brz s GLN 46 CO 0.14 -0.01 0.58 0.00 0.01 0.00 0.00 175.29 176.00 1brz s ILE 48 N 2.59 4.22 -0.34 0.00 -1.09 0.23 -0.72 121.20 126.09 1brz s ILE 48 Ca 0.20 1.17 -0.15 0.00 -2.23 0.00 0.00 60.65 59.64 1brz s ILE 48 Cb -0.15 -4.60 -0.01 0.00 -1.58 0.00 0.00 42.46 36.12 1brz s ILE 48 CO 0.16 -1.01 0.37 0.00 -1.23 0.00 0.00 174.94 173.24 1brz s ASP 50 N 1.73 6.52 -0.02 0.00 1.11 0.84 -1.42 116.67 125.44 1brz s ASP 50 Ca 0.12 0.62 0.20 0.00 0.18 0.00 0.00 52.55 53.67 1brz s ASP 50 Cb -0.16 -2.20 -0.28 0.00 1.07 0.00 0.00 42.92 41.34 1brz s ASP 50 CO 0.12 0.13 0.53 -1.22 1.18 0.00 0.00 175.17 175.91 1brz n TYR 51 N 3.29 0.00 -0.02 4.23 4.02 -0.46 -0.59 117.16 127.63 1brz n TYR 51 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 1brz n TYR 51 Cb 0.52 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 1brz n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1brz n GLU 53 N 0.00 -1.45 -0.49 0.00 1.02 -1.26 -5.10 120.64 113.36 1brz n GLU 53 Ca 0.00 1.54 0.00 0.00 -0.02 0.00 0.00 57.16 58.68 1brz n GLU 53 Cb 0.00 -5.63 0.00 0.00 -0.02 0.00 0.00 31.44 25.79 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97