#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 -0.25 0.00 -1.24 5.02 -1.26 -4.95 118.16 115.48 1brz n LYS 3 Ca 0.00 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1brz n LYS 3 Cb 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 1brz n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1brz s LYS 5 N -0.21 0.45 -0.15 0.00 0.00 -1.26 0.61 119.74 119.18 1brz s LYS 5 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 55.97 55.92 1brz s LYS 5 Cb 0.00 0.20 0.08 0.00 0.00 0.00 0.00 37.83 38.11 1brz s LYS 5 CO 0.00 -0.10 0.26 0.21 0.00 0.00 0.00 175.35 175.72 1brz s LYS 6 N -0.70 0.17 0.43 1.78 2.20 -0.19 -4.93 119.74 118.50 1brz s LYS 6 Ca -0.08 0.60 -0.26 0.00 -0.36 0.00 0.00 55.97 55.88 1brz s LYS 6 Cb -0.04 -0.35 -0.08 0.00 -1.51 0.00 0.00 37.83 35.84 1brz s LYS 6 CO 0.02 -0.40 1.36 0.14 -0.36 0.00 0.00 175.35 176.11 1brz s VAL 7 N 2.41 2.35 -0.23 4.02 -7.23 -1.26 -1.62 120.40 118.83 1brz s VAL 7 Ca 0.04 0.31 -0.28 0.00 -1.81 0.00 0.00 61.98 60.24 1brz s VAL 7 Cb -0.13 -3.18 -0.04 0.00 0.56 0.00 0.00 36.38 33.58 1brz s VAL 7 CO -0.10 0.04 2.06 -0.47 -0.31 0.00 0.00 175.10 176.32 1brz s TYR 8 N -1.23 1.40 -2.00 2.82 6.14 -0.68 -4.77 117.35 119.02 1brz s TYR 8 Ca 0.59 0.50 0.00 0.00 0.64 0.00 0.00 57.07 58.80 1brz s TYR 8 Cb -0.41 -4.01 0.03 0.00 0.42 0.00 0.00 41.96 37.99 1brz s TYR 8 CO 0.52 -3.82 0.25 0.39 0.64 0.00 0.00 175.55 173.54 1brz n GLU 9 N 8.53 0.03 0.00 4.97 1.02 -1.26 -4.42 120.64 129.51 1brz n GLU 9 Ca 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1brz n GLU 9 Cb 0.45 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 1brz n GLU 9 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1brz n ASN 10 N -0.71 0.00 -3.33 1.62 6.94 -1.26 -5.17 115.26 113.35 1brz n ASN 10 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 54.58 54.60 1brz n ASN 10 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 1brz n ASN 10 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1brz s TYR 11 N 0.00 -0.02 -0.14 -2.53 5.04 -1.26 -5.06 117.35 113.38 1brz s TYR 11 Ca 0.00 0.03 -0.06 0.00 -2.44 0.00 0.00 57.07 54.60 1brz s TYR 11 Cb 0.00 0.01 -0.06 0.00 0.35 0.00 0.00 41.96 42.26 1brz s TYR 11 CO 0.00 -0.01 1.04 -2.30 -1.34 0.00 0.00 175.55 172.94 1brz n PRO 12 N 3.98 0.01 -1.55 4.97 -0.02 -1.26 -4.75 135.00 136.38 1brz n PRO 12 Ca -0.10 -0.30 -0.30 0.00 -2.02 0.00 0.00 63.50 60.78 1brz n PRO 12 Cb 0.56 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.49 1brz n PRO 12 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1brz n VAL 13 N 4.99 -0.06 0.02 -1.45 3.14 -1.26 -3.56 118.33 120.15 1brz n VAL 13 Ca 0.09 -0.68 0.00 0.00 -2.96 0.00 0.00 64.34 60.79 1brz n VAL 13 Cb 0.41 -2.44 0.00 0.00 -1.06 0.00 0.00 33.84 30.75 1brz n VAL 13 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1brz n SER 14 N 16.30 -0.35 -0.01 6.55 3.41 -1.26 -4.92 113.62 133.34 1brz n SER 14 Ca 0.42 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 1brz n SER 14 Cb 0.49 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 65.12 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 -2.83 0.36 0.00 4.33 4.81 -1.23 -3.72 118.16 119.88 1brz n LYS 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1brz n LYS 15 Cb 0.00 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.05 1brz n LYS 15 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1brz n GLN 17 N 0.25 3.66 0.00 0.00 1.13 -1.24 -4.72 117.38 116.45 1brz n GLN 17 Ca 0.00 -2.79 0.00 0.00 -1.94 0.00 0.00 57.00 52.27 1brz n GLN 17 Cb 0.09 -2.46 0.00 0.00 0.11 0.00 0.00 30.24 27.98 1brz n GLN 17 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1brz n LEU 18 N 1.76 0.00 0.00 1.08 4.32 -1.26 -5.08 117.00 117.82 1brz n LEU 18 Ca 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.58 1brz n LEU 18 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1brz n LEU 18 CO 0.56 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.73 1brz n ALA 19 N -3.00 0.00 0.03 -1.18 0.00 -1.26 -4.99 120.51 110.11 1brz n ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1brz n ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.11 0.00 0.00 2.85 -1.26 -4.62 115.26 112.34 1brz n ASN 20 Ca 0.00 0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1brz n ASN 20 Cb 0.00 0.03 0.00 0.00 1.24 0.00 0.00 39.78 41.05 1brz n ASN 20 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1brz n GLN 21 N -2.94 0.00 -0.21 1.20 1.13 -1.26 0.16 117.38 115.45 1brz n GLN 21 Ca 0.00 0.13 0.01 0.00 -1.94 0.00 0.00 57.00 55.20 1brz n GLN 21 Cb 0.16 -0.56 0.25 0.00 0.11 0.00 0.00 30.24 30.20 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 -4.43 0.00 -0.29 0.00 2.85 -0.86 -0.25 115.26 112.29 1brz n ASN 23 Ca 0.08 0.71 0.10 0.00 -0.11 0.00 0.00 54.58 55.36 1brz n ASN 23 Cb 0.04 -0.21 0.26 0.00 1.24 0.00 0.00 39.78 41.11 1brz n ASN 23 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1brz h TYR 24 N 0.00 0.55 0.04 1.20 3.20 0.15 0.34 116.97 122.45 1brz h TYR 24 Ca 0.00 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1brz h TYR 24 Cb 0.00 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.11 1brz h TYR 24 CO 0.01 -0.03 -0.42 -0.44 -1.64 0.00 0.00 178.16 175.64 1brz h ASP 25 N 0.39 -1.25 -0.69 -2.11 5.19 -1.10 -0.51 116.42 116.32 1brz h ASP 25 Ca 0.51 0.15 0.11 0.00 -0.62 0.00 0.00 57.03 57.17 1brz h ASP 25 Cb 0.91 0.48 -0.08 0.00 0.18 0.00 0.00 39.33 40.82 1brz h ASP 25 CO -0.50 -0.47 0.31 0.00 -3.12 0.00 0.00 179.24 175.46 1brz n LYS 27 N -4.93 0.13 0.00 0.00 5.02 -0.05 -0.76 118.16 117.56 1brz n LYS 27 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1brz n LYS 27 Cb 0.31 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 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 -0.62 0.00 0.08 -0.35 7.94 0.06 -4.62 117.00 119.48 1brz n LEU 28 Ca 0.01 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.99 1brz n LEU 28 Cb 0.00 0.00 0.38 0.00 0.53 0.00 0.00 43.42 44.33 1brz n LEU 28 CO 0.01 0.00 0.76 0.47 -1.11 0.00 0.00 177.39 177.52 1brz n ASP 29 N -0.92 0.35 -0.05 1.96 9.92 1.10 -2.97 116.55 125.95 1brz n ASP 29 Ca 0.00 0.61 0.00 0.00 -0.53 0.00 0.00 54.79 54.87 1brz n ASP 29 Cb 0.00 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 39.81 1brz n ASP 29 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1brz n LYS 30 N -1.90 0.00 -3.72 -1.24 5.02 -1.24 -4.99 118.16 110.09 1brz n LYS 30 Ca 0.02 -0.42 -0.23 0.00 -2.02 0.00 0.00 58.31 55.65 1brz n LYS 30 Cb 0.14 -0.38 0.04 0.00 -0.02 0.00 0.00 35.03 34.81 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 -2.11 -2.01 2.13 8.25 -1.16 -4.98 115.22 115.33 1brz n HIS 31 Ca 0.00 0.88 -0.11 0.00 -0.26 0.00 0.00 57.72 58.23 1brz n HIS 31 Cb 0.51 -4.42 0.07 0.00 1.12 0.00 0.00 29.99 27.27 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 -4.42 -0.20 -0.08 -1.41 0.00 0.06 -4.94 120.51 109.51 1brz n ALA 32 Ca -0.19 -0.81 -0.08 0.00 0.00 0.00 0.00 53.44 52.36 1brz n ALA 32 Cb 0.63 0.07 -0.03 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.96 0.51 -3.38 0.00 0.63 0.22 -4.65 116.66 108.03 1brz n ARG 33 Ca 0.07 0.32 -0.01 0.00 -0.92 0.00 0.00 57.85 57.32 1brz n ARG 33 Cb 0.25 -1.52 -0.04 0.00 0.45 0.00 0.00 32.46 31.60 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 -5.90 -0.99 0.32 6.15 1.04 -0.60 -4.82 113.70 108.90 1brz s SER 34 Ca -0.25 1.02 0.07 0.00 0.48 0.00 0.00 55.95 57.27 1brz s SER 34 Cb 0.04 1.99 -0.03 0.00 0.10 0.00 0.00 66.02 68.12 1brz s SER 34 CO 0.36 -0.25 0.29 -0.83 0.98 0.00 0.00 173.24 173.80 1brz s GLY 35 N 2.81 1.70 -0.08 7.32 0.00 -1.26 -0.56 107.32 117.26 1brz s GLY 35 Ca 0.09 -1.60 -0.32 0.00 0.00 0.00 0.00 44.72 42.89 1brz s GLY 35 CO -0.19 -1.54 1.31 1.85 0.00 0.00 0.00 173.10 174.53 1brz s GLU 36 N -3.99 0.30 -0.09 2.90 2.12 -0.28 -4.20 118.70 115.46 1brz s GLU 36 Ca 0.40 -0.15 -0.21 0.00 0.36 0.00 0.00 54.97 55.37 1brz s GLU 36 Cb -0.06 0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 1brz s GLU 36 CO 0.27 -0.14 0.59 0.00 -0.54 0.00 0.00 175.26 175.44 1brz s PHE 38 N 0.71 0.19 -0.34 0.00 0.08 0.26 -4.93 117.98 113.94 1brz s PHE 38 Ca 0.32 -0.58 -0.20 0.00 0.12 0.00 0.00 56.93 56.59 1brz s PHE 38 Cb -0.16 -0.01 -0.00 0.00 -0.57 0.00 0.00 43.02 42.28 1brz s PHE 38 CO 0.14 -0.64 0.61 0.71 -0.10 0.00 0.00 175.22 175.95 1brz s TYR 39 N -3.89 3.17 -0.66 0.36 1.51 -1.26 -0.00 117.35 116.57 1brz s TYR 39 Ca 0.09 0.37 -0.24 0.00 -1.01 0.00 0.00 57.07 56.28 1brz s TYR 39 Cb 0.04 -3.07 -0.24 0.00 -0.11 0.00 0.00 41.96 38.58 1brz s TYR 39 CO -0.07 -0.58 1.81 -0.40 -1.11 0.00 0.00 175.55 175.20 1brz n ASP 40 N 5.96 0.80 -2.73 2.29 5.75 -1.26 -3.95 116.55 123.41 1brz n ASP 40 Ca -0.02 -2.30 -0.17 0.00 -0.01 0.00 0.00 54.79 52.30 1brz n ASP 40 Cb 0.49 -1.24 -0.03 0.00 -1.03 0.00 0.00 41.12 39.30 1brz n ASP 40 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1brz n GLU 41 N 7.54 -0.89 0.00 0.11 1.02 -1.26 -4.44 120.64 122.72 1brz n GLU 41 Ca 0.37 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1brz n GLU 41 Cb 0.45 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1brz n GLU 41 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1brz n LYS 42 N -1.93 0.00 0.00 3.49 4.01 -1.25 -5.08 118.16 117.39 1brz n LYS 42 Ca 0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 1brz n LYS 42 Cb 0.18 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.70 1brz n LYS 42 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1brz n ARG 43 N -0.82 0.00 0.01 1.97 1.74 -1.26 -5.04 116.66 113.26 1brz n ARG 43 Ca 0.00 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 1brz n ARG 43 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 1brz n ARG 43 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1brz n ASN 44 N 0.00 0.64 -2.03 0.55 3.02 -1.26 -5.04 115.26 111.13 1brz n ASN 44 Ca 0.00 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1brz n ASN 44 Cb 0.00 1.12 0.00 0.00 -0.61 0.00 0.00 39.78 40.29 1brz n ASN 44 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1brz n LEU 45 N -1.81 -5.63 0.00 3.41 7.94 -1.26 -4.99 117.00 114.67 1brz n LEU 45 Ca 0.02 3.15 -0.13 0.00 -1.11 0.00 0.00 56.01 57.93 1brz n LEU 45 Cb 0.42 -3.07 -0.03 0.00 0.53 0.00 0.00 43.42 41.27 1brz n LEU 45 CO 0.42 -1.45 0.19 0.00 -1.11 0.00 0.00 177.39 175.45 1brz n GLN 46 N 1.64 0.70 -4.02 1.96 1.13 0.99 -4.93 117.38 114.86 1brz n GLN 46 Ca 0.00 -2.62 -0.36 0.00 -1.94 0.00 0.00 57.00 52.08 1brz n GLN 46 Cb 0.00 2.57 -0.07 0.00 0.11 0.00 0.00 30.24 32.85 1brz n GLN 46 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1brz s ILE 48 N -0.87 -0.04 -0.21 0.00 1.01 -0.20 -1.69 121.20 119.20 1brz s ILE 48 Ca 0.14 0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.98 1brz s ILE 48 Cb -0.12 -0.19 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 1brz s ILE 48 CO 0.03 0.18 0.48 0.00 0.00 0.00 0.00 174.94 175.63 1brz s ASP 50 N 1.16 6.75 -0.54 0.00 -1.08 0.28 -1.02 116.67 122.21 1brz s ASP 50 Ca 0.22 0.91 0.03 0.00 -0.52 0.00 0.00 52.55 53.19 1brz s ASP 50 Cb -0.15 -2.36 0.40 0.00 -1.46 0.00 0.00 42.92 39.35 1brz s ASP 50 CO 0.09 -0.26 1.33 -1.22 0.52 0.00 0.00 175.17 175.63 1brz n TYR 51 N 4.89 3.32 0.16 -5.34 4.01 0.20 0.69 117.16 125.09 1brz n TYR 51 Ca -0.01 -2.94 -0.07 0.00 -0.16 0.00 0.00 57.90 54.72 1brz n TYR 51 Cb 0.50 -0.35 0.09 0.00 -0.31 0.00 0.00 39.34 39.26 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 -0.07 1.42 0.00 0.00 0.00 -1.26 -5.10 120.64 115.62 1brz n GLU 53 Ca 0.21 0.52 0.00 0.00 0.00 0.00 0.00 57.16 57.89 1brz n GLU 53 Cb 0.90 -2.23 0.00 0.00 0.00 0.00 0.00 31.44 30.10 1brz n GLU 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79