#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bnz h ASP 23 N 0.00 -1.28 -2.90 4.39 -0.00 -2.14 -3.42 116.42 111.08 2bnz h ASP 23 Ca 0.00 0.12 -0.59 0.00 -0.00 0.00 0.00 57.03 56.56 2bnz h ASP 23 Cb 0.00 0.45 0.12 0.00 -0.00 0.00 0.00 39.33 39.90 2bnz h ASP 23 CO 0.00 -0.52 0.18 2.30 -0.00 0.00 0.00 179.24 181.21 2bnz n ILE 24 N -5.01 2.23 0.00 2.25 -5.35 -1.26 -4.92 119.36 107.30 2bnz n ILE 24 Ca -0.09 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 2bnz n ILE 24 Cb 0.37 -1.15 0.00 0.00 -1.74 0.00 0.00 39.64 37.12 2bnz n ILE 24 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59 2bnz n MET 25 N 0.38 0.00 -0.29 6.28 1.56 -1.26 -5.19 117.12 118.60 2bnz n MET 25 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.52 2bnz n MET 25 Cb 0.37 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.74 2bnz n MET 25 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2bnz n GLY 26 N 0.00 2.68 3.46 -5.12 0.00 -1.26 -5.13 105.19 99.82 2bnz n GLY 26 Ca 0.00 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 2bnz n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bnz s ASP 27 N -0.77 3.70 0.23 1.61 1.01 -1.26 -5.13 116.67 116.05 2bnz s ASP 27 Ca 0.00 -0.62 0.05 0.00 0.71 0.00 0.00 52.55 52.69 2bnz s ASP 27 Cb 0.00 -0.44 -0.03 0.00 1.01 0.00 0.00 42.92 43.46 2bnz s ASP 27 CO 0.00 0.18 0.32 -0.75 0.21 0.00 0.00 175.17 175.13 2bnz s LYS 28 N -2.10 3.34 0.10 8.23 2.47 -1.26 -5.14 119.74 125.38 2bnz s LYS 28 Ca 0.17 -0.78 0.06 0.00 -1.56 0.00 0.00 55.97 53.86 2bnz s LYS 28 Cb -0.10 -2.84 -0.04 0.00 -1.46 0.00 0.00 37.83 33.38 2bnz s LYS 28 CO 0.09 0.44 -0.07 0.95 0.16 0.00 0.00 175.35 176.92 2bnz s THR 29 N -1.96 3.56 0.01 3.43 -4.23 -1.26 -5.13 115.64 110.07 2bnz s THR 29 Ca 0.34 -1.18 -0.13 0.00 -1.18 0.00 0.00 61.69 59.54 2bnz s THR 29 Cb -0.09 -2.67 0.02 0.00 1.34 0.00 0.00 72.50 71.09 2bnz s THR 29 CO 0.28 0.12 0.28 0.54 -0.54 0.00 0.00 174.62 175.30 2bnz s VAL 30 N -1.24 0.07 -0.23 2.29 0.11 -1.26 -5.14 120.40 115.00 2bnz s VAL 30 Ca 0.23 -0.60 -0.06 0.00 -2.93 0.00 0.00 61.98 58.62 2bnz s VAL 30 Cb -0.11 -0.71 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 2bnz s VAL 30 CO 0.15 -0.33 0.02 -0.13 -3.33 0.00 0.00 175.10 171.48 2bnz s ARG 31 N -1.79 3.56 0.24 1.54 1.81 -1.26 -5.10 118.95 117.95 2bnz s ARG 31 Ca -0.11 -0.53 0.11 0.00 -1.72 0.00 0.00 55.73 53.48 2bnz s ARG 31 Cb -0.04 -3.19 -0.05 0.00 -0.45 0.00 0.00 34.95 31.23 2bnz s ARG 31 CO 0.01 -0.17 -0.20 0.14 -0.68 0.00 0.00 175.30 174.40 2bnz s VAL 32 N 1.49 2.29 -0.31 3.52 -7.23 -1.26 -5.06 120.40 113.84 2bnz s VAL 32 Ca 0.06 -2.24 -0.40 0.00 -1.81 0.00 0.00 61.98 57.59 2bnz s VAL 32 Cb -0.15 -2.18 -0.16 0.00 0.56 0.00 0.00 36.38 34.46 2bnz s VAL 32 CO 0.01 -0.34 1.80 0.54 -0.31 0.00 0.00 175.10 176.80 2bnz n ARG 33 N -0.27 1.04 -0.34 4.82 1.74 -1.26 -4.77 116.66 117.62 2bnz n ARG 33 Ca -0.08 0.37 0.20 0.00 -0.77 0.00 0.00 57.85 57.57 2bnz n ARG 33 Cb 0.59 -2.09 0.44 0.00 -1.02 0.00 0.00 32.46 30.38 2bnz n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bnz h ALA 34 N 7.71 2.00 -0.40 7.54 0.00 -1.98 -0.10 119.26 134.02 2bnz h ALA 34 Ca -0.43 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 2bnz h ALA 34 Cb 1.33 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2bnz h ALA 34 CO 0.98 -0.45 -0.19 0.38 0.00 0.00 0.00 179.25 179.97 2bnz h ASP 35 N 0.49 0.77 -0.18 0.00 2.03 -1.99 0.41 116.42 117.94 2bnz h ASP 35 Ca 0.63 -0.26 -0.10 0.00 -0.73 0.00 0.00 57.03 56.56 2bnz h ASP 35 Cb 1.37 -0.21 -0.00 0.00 -0.83 0.00 0.00 39.33 39.66 2bnz h ASP 35 CO -0.40 0.95 -0.29 -0.07 -1.03 0.00 0.00 179.24 178.40 2bnz h LEU 36 N 0.67 0.58 -0.75 0.15 3.38 -1.53 -2.58 115.31 115.24 2bnz h LEU 36 Ca 0.10 -0.53 0.10 0.00 0.09 0.00 0.00 57.88 57.64 2bnz h LEU 36 Cb 0.68 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 2bnz h LEU 36 CO 0.05 0.99 0.39 -0.74 0.09 0.00 0.00 178.44 179.22 2bnz h HIS 37 N 0.18 0.70 -0.44 1.13 2.76 -0.82 -1.67 115.15 116.98 2bnz h HIS 37 Ca 0.02 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 2bnz h HIS 37 Cb 0.87 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 2bnz h HIS 37 CO 0.09 0.25 0.24 1.25 -1.30 0.00 0.00 177.93 178.46 2bnz h HIS 38 N 0.65 0.61 -0.56 5.26 -0.00 -0.86 0.25 115.15 120.51 2bnz h HIS 38 Ca 0.37 -0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.79 2bnz h HIS 38 Cb 0.39 -0.20 -0.06 0.00 -0.00 0.00 0.00 27.41 27.55 2bnz h HIS 38 CO -0.09 0.47 0.25 0.82 -0.00 0.00 0.00 177.93 179.38 2bnz h ILE 39 N 0.58 0.87 -0.20 6.26 2.04 -0.98 -1.34 117.51 124.74 2bnz h ILE 39 Ca 0.15 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 2bnz h ILE 39 Cb 0.07 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2bnz h ILE 39 CO -0.02 0.09 -0.15 0.40 0.00 0.00 0.00 178.15 178.46 2bnz h ILE 40 N 0.47 1.32 -0.73 -0.67 1.08 -0.83 -2.31 117.51 115.84 2bnz h ILE 40 Ca 0.27 -1.27 0.16 0.00 -0.39 0.00 0.00 64.86 63.63 2bnz h ILE 40 Cb 0.25 1.72 -0.12 0.00 -3.07 0.00 0.00 36.82 35.60 2bnz h ILE 40 CO -0.23 0.38 0.03 0.50 -0.69 0.00 0.00 178.15 178.15 2bnz h LYS 41 N 0.12 0.12 0.51 2.37 1.63 -0.24 0.75 116.57 121.84 2bnz h LYS 41 Ca 0.04 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 2bnz h LYS 41 Cb 0.67 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.28 2bnz h LYS 41 CO 0.04 0.08 -0.25 0.82 -3.45 0.00 0.00 179.45 176.69 2bnz h ILE 42 N 0.13 0.47 -0.58 2.00 1.08 -1.08 -2.81 117.51 116.72 2bnz h ILE 42 Ca 0.40 -0.17 0.02 0.00 -0.39 0.00 0.00 64.86 64.71 2bnz h ILE 42 Cb 0.70 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 2bnz h ILE 42 CO -0.62 0.03 0.37 -0.08 -0.69 0.00 0.00 178.15 177.15 2bnz h GLU 43 N -0.80 0.71 0.00 2.37 4.57 -0.94 0.11 114.58 120.59 2bnz h GLU 43 Ca -0.07 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2bnz h GLU 43 Cb 0.58 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 2bnz h GLU 43 CO 0.12 0.47 0.00 1.79 -1.18 0.00 0.00 179.01 180.21 2bnz h THR 44 N 0.73 0.00 0.00 0.32 1.35 -0.91 0.97 112.91 115.37 2bnz h THR 44 Ca 0.23 -0.46 -0.04 0.00 -0.55 0.00 0.00 66.41 65.59 2bnz h THR 44 Cb -0.02 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 2bnz h THR 44 CO -0.08 0.00 -0.29 0.00 -0.25 0.00 0.00 175.52 174.90 2bnz h ALA 45 N 2.07 0.04 -0.23 6.62 0.00 -1.02 -3.32 119.26 123.43 2bnz h ALA 45 Ca 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.51 2bnz h ALA 45 Cb 0.49 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2bnz h ALA 45 CO 0.00 0.21 -0.36 0.87 0.00 0.00 0.00 179.25 179.97 2bnz h LYS 46 N -1.00 -0.27 0.00 0.00 1.57 -0.75 -3.43 116.57 112.68 2bnz h LYS 46 Ca -0.05 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2bnz h LYS 46 Cb 0.58 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2bnz h LYS 46 CO -0.03 -0.18 -0.01 0.09 -0.57 0.00 0.00 179.45 178.75 2bnz n ASN 47 N -4.43 0.26 -4.18 0.86 4.13 0.33 -5.09 115.26 107.13 2bnz n ASN 47 Ca -0.03 -1.11 -0.29 0.00 1.68 0.00 0.00 54.58 54.83 2bnz n ASN 47 Cb 0.23 -0.03 0.22 0.00 -1.54 0.00 0.00 39.78 38.66 2bnz n ASN 47 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2bnz s GLY 48 N -2.13 1.56 0.00 7.41 0.00 -1.26 -4.44 107.32 108.47 2bnz s GLY 48 Ca 0.04 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.09 2bnz s GLY 48 CO 0.03 0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.84 2bnz n GLY 49 N -0.77 -2.91 3.34 0.20 0.00 -1.25 -4.31 105.19 99.50 2bnz n GLY 49 Ca 0.09 -2.17 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 2bnz n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bnz s ASN 50 N -0.41 0.87 0.06 1.61 4.22 -1.26 -4.72 114.94 115.31 2bnz s ASN 50 Ca 0.00 -1.51 -0.27 0.00 -2.14 0.00 0.00 52.86 48.94 2bnz s ASN 50 Cb 0.00 0.53 -0.17 0.00 1.28 0.00 0.00 41.25 42.89 2bnz s ASN 50 CO 0.00 -1.06 1.55 0.58 -2.04 0.00 0.00 177.10 176.13 2bnz h VAL 51 N 2.29 0.73 -0.48 3.54 2.07 -1.96 -2.28 116.25 120.14 2bnz h VAL 51 Ca -0.29 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.11 2bnz h VAL 51 Cb 1.24 0.85 -0.10 0.00 -1.52 0.00 0.00 31.29 31.76 2bnz h VAL 51 CO 0.42 0.05 -0.19 0.50 0.02 0.00 0.00 177.57 178.37 2bnz h LYS 52 N -0.52 -0.08 -0.68 1.57 3.64 -1.98 0.10 116.57 118.62 2bnz h LYS 52 Ca -0.04 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.49 2bnz h LYS 52 Cb 0.39 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.12 2bnz h LYS 52 CO 0.07 -0.05 0.05 1.49 -2.27 0.00 0.00 179.45 178.74 2bnz h GLU 53 N -0.08 0.15 -0.55 1.90 4.81 -1.94 0.41 114.58 119.29 2bnz h GLU 53 Ca 0.23 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 2bnz h GLU 53 Cb 0.44 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2bnz h GLU 53 CO -0.54 0.10 0.07 0.28 -0.73 0.00 0.00 179.01 178.19 2bnz h VAL 54 N 0.16 1.26 -0.50 0.32 2.07 -0.30 -2.51 116.25 116.75 2bnz h VAL 54 Ca 0.37 -1.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.79 2bnz h VAL 54 Cb 0.62 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2bnz h VAL 54 CO -0.55 0.36 -0.09 0.24 0.02 0.00 0.00 177.57 177.55 2bnz h MET 55 N 0.82 0.91 -0.78 1.57 2.86 0.56 0.12 114.93 120.97 2bnz h MET 55 Ca 0.17 -0.31 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 2bnz h MET 55 Cb 0.44 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 2bnz h MET 55 CO 0.01 0.96 0.32 -0.44 1.06 0.00 0.00 176.91 178.82 2bnz h ASP 56 N 0.82 1.08 -0.02 1.22 3.32 -0.08 -0.48 116.42 122.27 2bnz h ASP 56 Ca 0.14 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 2bnz h ASP 56 Cb 0.61 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.89 2bnz h ASP 56 CO 0.04 0.95 -0.40 -0.61 -1.72 0.00 0.00 179.24 177.50 2bnz h GLN 57 N 1.14 0.30 -0.47 3.56 4.15 -1.24 -2.69 115.11 119.86 2bnz h GLN 57 Ca 0.26 -0.30 0.07 0.00 0.77 0.00 0.00 58.65 59.45 2bnz h GLN 57 Cb 0.21 0.08 -0.06 0.00 0.21 0.00 0.00 27.48 27.92 2bnz h GLN 57 CO -0.02 0.99 0.11 0.00 -1.93 0.00 0.00 178.83 177.98 2bnz h ALA 58 N 0.32 0.53 -0.36 3.38 0.00 -0.66 -1.43 119.26 121.05 2bnz h ALA 58 Ca -0.05 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2bnz h ALA 58 Cb 1.12 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2bnz h ALA 58 CO 0.08 -0.29 -0.26 1.25 0.00 0.00 0.00 179.25 180.03 2bnz h LEU 59 N 0.25 0.86 -0.88 0.00 5.85 -1.16 -2.05 115.31 118.19 2bnz h LEU 59 Ca 0.23 -0.44 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 2bnz h LEU 59 Cb 0.29 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2bnz h LEU 59 CO -0.29 1.11 0.38 -0.08 -0.34 0.00 0.00 178.44 179.23 2bnz h GLU 60 N 0.61 1.19 -0.59 1.25 4.81 -1.21 -0.37 114.58 120.27 2bnz h GLU 60 Ca 0.07 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 2bnz h GLU 60 Cb 0.83 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2bnz h GLU 60 CO 0.07 0.92 0.07 0.93 -0.73 0.00 0.00 179.01 180.27 2bnz h GLU 61 N 1.17 0.98 -0.69 1.92 5.08 -1.13 -0.31 114.58 121.61 2bnz h GLU 61 Ca 0.28 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2bnz h GLU 61 Cb 0.14 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2bnz h GLU 61 CO -0.03 0.93 0.25 -0.92 -1.00 0.00 0.00 179.01 178.24 2bnz h TYR 62 N 0.92 1.07 -0.40 4.33 5.03 -0.82 0.22 116.97 127.33 2bnz h TYR 62 Ca 0.18 -0.09 -0.15 0.00 2.58 0.00 0.00 58.73 61.24 2bnz h TYR 62 Cb 0.45 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 2bnz h TYR 62 CO 0.03 0.85 -0.35 0.82 -1.32 0.00 0.00 178.16 178.18 2bnz h ILE 63 N 0.99 1.27 -0.14 1.81 2.04 -0.82 0.01 117.51 122.67 2bnz h ILE 63 Ca 0.23 -1.52 -0.10 0.00 1.00 0.00 0.00 64.86 64.46 2bnz h ILE 63 Cb 0.25 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2bnz h ILE 63 CO -0.01 0.51 -0.36 0.03 0.00 0.00 0.00 178.15 178.32 2bnz h ARG 64 N 0.77 0.30 0.11 2.37 3.08 -0.83 0.30 114.38 120.47 2bnz h ARG 64 Ca 0.07 -0.13 -0.29 0.00 0.07 0.00 0.00 59.98 59.70 2bnz h ARG 64 Cb 0.94 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 31.00 2bnz h ARG 64 CO 0.09 0.62 -1.22 -0.22 -1.07 0.00 0.00 179.97 178.17 2bnz h LYS 65 N 0.26 0.56 0.00 0.04 3.64 -0.82 -3.37 116.57 116.88 2bnz h LYS 65 Ca 0.03 -0.75 -0.14 0.00 -1.27 0.00 0.00 60.65 58.52 2bnz h LYS 65 Cb 0.75 0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 2bnz h LYS 65 CO 0.06 1.33 -1.51 0.66 -2.27 0.00 0.00 179.45 177.72 2bnz n TYR 66 N -3.76 0.00 -3.10 1.91 4.01 -0.02 -4.82 117.16 111.38 2bnz n TYR 66 Ca -0.12 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.44 2bnz n TYR 66 Cb 0.97 -0.36 -0.02 0.00 -0.31 0.00 0.00 39.34 39.62 2bnz n TYR 66 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87 2bnz n LEU 67 N -2.42 -0.02 0.27 7.72 -0.00 0.81 -4.97 117.00 118.40 2bnz n LEU 67 Ca -0.13 -4.64 0.16 0.00 -0.00 0.00 0.00 56.01 51.40 2bnz n LEU 67 Cb 0.72 0.74 0.62 0.00 -0.00 0.00 0.00 43.42 45.50 2bnz n LEU 67 CO 0.14 2.18 0.96 1.55 -0.00 0.00 0.00 177.39 182.22 2bnz h PRO 68 N 3.33 0.00 0.00 1.47 0.13 -1.07 -2.60 132.00 133.26 2bnz h PRO 68 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2bnz h PRO 68 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2bnz h PRO 68 CO 0.43 0.02 0.00 -0.40 -0.23 0.00 0.00 178.00 177.82 2bnz n ASP 69 N -3.12 0.00 -0.84 1.44 5.75 -1.26 -2.51 116.55 116.00 2bnz n ASP 69 Ca 0.01 -0.52 0.12 0.00 -0.01 0.00 0.00 54.79 54.39 2bnz n ASP 69 Cb 0.34 -0.14 0.20 0.00 -1.03 0.00 0.00 41.12 40.50 2bnz n ASP 69 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2bnz n LYS 70 N -1.14 2.17 0.00 0.11 4.76 -0.98 -5.26 118.16 117.83 2bnz n LYS 70 Ca 0.17 -1.70 0.16 0.00 -2.87 0.00 0.00 58.31 54.08 2bnz n LYS 70 Cb 0.16 -1.47 0.91 0.00 -1.84 0.00 0.00 35.03 32.79 2bnz n LYS 70 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31