#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi n ILE 4 N 0.00 0.00 -2.49 -0.61 -5.35 -1.26 -4.73 119.36 104.92 2qbi n ILE 4 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 2qbi n ILE 4 Cb 0.00 -0.34 0.01 0.00 -1.74 0.00 0.00 39.64 37.57 2qbi n ILE 4 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2qbi n ARG 5 N -0.38 3.78 -1.49 6.28 5.12 -1.26 -4.35 116.66 124.37 2qbi n ARG 5 Ca 0.00 -4.38 -0.38 0.00 -1.93 0.00 0.00 57.85 51.16 2qbi n ARG 5 Cb 0.06 -2.31 0.04 0.00 -1.16 0.00 0.00 32.46 29.09 2qbi n ARG 5 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2qbi n GLU 6 N -0.32 0.56 -0.02 5.56 4.71 -1.03 -4.22 120.64 125.89 2qbi n GLU 6 Ca 0.43 0.22 -0.01 0.00 -0.01 0.00 0.00 57.16 57.80 2qbi n GLU 6 Cb 0.37 -1.75 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 2qbi n GLU 6 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2qbi n LYS 7 N -0.16 -1.29 -3.64 3.49 4.76 -1.26 -0.36 118.16 119.70 2qbi n LYS 7 Ca 0.12 -0.03 -0.02 0.00 -2.87 0.00 0.00 58.31 55.50 2qbi n LYS 7 Cb 0.47 -0.03 -0.05 0.00 -1.84 0.00 0.00 35.03 33.58 2qbi n LYS 7 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 2qbi s ILE 8 N -1.03 0.00 -0.07 -0.18 -1.16 0.33 -4.38 121.20 114.71 2qbi s ILE 8 Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.15 2qbi s ILE 8 Cb -0.00 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 42.04 2qbi s ILE 8 CO 0.01 0.00 -0.06 -1.59 -2.81 0.00 0.00 174.94 170.49 2qbi s LYS 9 N -0.64 2.82 -0.65 3.50 0.00 -1.26 -0.97 119.74 122.53 2qbi s LYS 9 Ca 0.08 -0.52 -0.08 0.00 0.00 0.00 0.00 55.97 55.45 2qbi s LYS 9 Cb -0.02 -2.64 0.17 0.00 0.00 0.00 0.00 37.83 35.34 2qbi s LYS 9 CO -0.10 0.66 0.52 -0.51 0.00 0.00 0.00 175.35 175.91 2qbi s LEU 10 N -0.78 5.82 0.70 2.77 1.02 -0.42 -4.16 118.68 123.64 2qbi s LEU 10 Ca 0.12 -2.60 -0.15 0.00 0.02 0.00 0.00 54.13 51.52 2qbi s LEU 10 Cb -0.11 -2.00 0.03 0.00 0.02 0.00 0.00 46.19 44.12 2qbi s LEU 10 CO 0.02 -0.50 1.16 -0.69 0.02 0.00 0.00 176.35 176.36 2qbi s VAL 11 N 0.32 2.69 -0.17 -1.59 1.01 -0.37 -1.34 120.40 120.95 2qbi s VAL 11 Ca 0.15 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.27 2qbi s VAL 11 Cb -0.18 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 2qbi s VAL 11 CO -0.05 -0.19 0.52 -0.55 0.00 0.00 0.00 175.10 174.83 2qbi s SER 12 N -2.27 6.62 0.41 3.32 0.15 -1.01 -1.13 113.70 119.79 2qbi s SER 12 Ca 0.71 0.74 0.17 0.00 0.70 0.00 0.00 55.95 58.27 2qbi s SER 12 Cb -0.25 -2.30 1.07 0.00 -1.71 0.00 0.00 66.02 62.83 2qbi s SER 12 CO 0.44 -0.14 1.86 0.77 1.20 0.00 0.00 173.24 177.37 2qbi h SER 13 N 7.24 0.42 -4.02 5.45 4.64 -1.50 -3.41 113.55 122.37 2qbi h SER 13 Ca -0.36 0.04 -0.53 0.00 -0.47 0.00 0.00 61.79 60.47 2qbi h SER 13 Cb 1.16 -0.04 0.10 0.00 -0.31 0.00 0.00 62.40 63.32 2qbi h SER 13 CO 0.75 0.17 0.57 0.00 -0.87 0.00 0.00 176.83 177.45 2qbi s ALA 14 N -5.44 2.92 0.60 5.18 0.00 -1.26 -4.85 121.76 118.91 2qbi s ALA 14 Ca -0.08 1.18 0.28 0.00 0.00 0.00 0.00 51.96 53.34 2qbi s ALA 14 Cb 0.23 -3.49 1.29 0.00 0.00 0.00 0.00 23.12 21.14 2qbi s ALA 14 CO 0.78 -1.06 1.69 0.78 0.00 0.00 0.00 175.76 177.95 2qbi h GLY 15 N 1.80 0.00 -3.60 0.00 0.00 -2.02 -3.42 103.07 95.82 2qbi h GLY 15 Ca -0.50 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.25 2qbi h GLY 15 CO 0.59 0.00 0.16 -0.37 0.00 0.00 0.00 176.54 176.92 2qbi n THR 16 N -3.49 2.59 0.54 4.70 5.66 -1.26 -4.87 114.28 118.14 2qbi n THR 16 Ca 0.13 -0.50 0.02 0.00 -3.05 0.00 0.00 64.05 60.64 2qbi n THR 16 Cb 0.95 -1.16 0.10 0.00 -1.55 0.00 0.00 70.33 68.66 2qbi n THR 16 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qbi n GLY 17 N 1.19 1.87 3.82 1.09 0.00 -1.26 -4.58 105.19 107.33 2qbi n GLY 17 Ca 0.10 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2qbi n GLY 17 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qbi s HIS 18 N -1.42 3.21 0.05 1.61 5.65 -1.26 -4.95 115.29 118.18 2qbi s HIS 18 Ca 0.13 1.46 -0.27 0.00 0.25 0.00 0.00 55.06 56.64 2qbi s HIS 18 Cb 0.10 -2.90 0.09 0.00 -1.18 0.00 0.00 32.58 28.69 2qbi s HIS 18 CO 0.04 -0.87 0.85 -0.59 -0.65 0.00 0.00 174.74 173.52 2qbi s PHE 19 N -2.67 -0.33 0.55 3.88 -0.71 -1.26 -2.40 117.98 115.04 2qbi s PHE 19 Ca 0.60 0.15 0.06 0.00 -1.04 0.00 0.00 56.93 56.71 2qbi s PHE 19 Cb -0.13 0.56 0.05 0.00 -1.21 0.00 0.00 43.02 42.29 2qbi s PHE 19 CO 0.40 -0.66 0.48 0.71 -1.34 0.00 0.00 175.22 174.81 2qbi s TYR 20 N -3.26 1.56 -0.12 3.49 2.02 -0.45 -4.90 117.35 115.70 2qbi s TYR 20 Ca 0.06 -0.83 -0.06 0.00 -0.37 0.00 0.00 57.07 55.87 2qbi s TYR 20 Cb -0.01 -1.97 0.05 0.00 -0.40 0.00 0.00 41.96 39.63 2qbi s TYR 20 CO -0.07 -0.61 0.28 -0.08 -1.57 0.00 0.00 175.55 173.50 2qbi s THR 21 N -2.76 -0.03 0.23 -0.71 -1.32 -1.26 -1.30 115.64 108.49 2qbi s THR 21 Ca 0.39 0.12 -0.23 0.00 -1.21 0.00 0.00 61.69 60.77 2qbi s THR 21 Cb -0.03 -0.43 0.04 0.00 -1.51 0.00 0.00 72.50 70.57 2qbi s THR 21 CO 0.24 0.05 0.82 0.28 -2.21 0.00 0.00 174.62 173.80 2qbi s THR 22 N 1.18 0.00 0.32 5.08 -1.32 -0.15 -5.00 115.64 115.75 2qbi s THR 22 Ca -0.08 -0.85 0.06 0.00 -1.21 0.00 0.00 61.69 59.61 2qbi s THR 22 Cb -0.09 -1.98 -0.02 0.00 -1.51 0.00 0.00 72.50 68.90 2qbi s THR 22 CO -0.08 0.00 0.43 0.42 -2.21 0.00 0.00 174.62 173.17 2qbi s THR 23 N -3.66 4.25 0.13 5.08 -4.23 -1.26 0.12 115.64 116.07 2qbi s THR 23 Ca 0.11 -1.04 -0.12 0.00 -1.18 0.00 0.00 61.69 59.47 2qbi s THR 23 Cb -0.04 -3.47 0.01 0.00 1.34 0.00 0.00 72.50 70.34 2qbi s THR 23 CO 0.05 -0.19 0.32 -0.75 -0.54 0.00 0.00 174.62 173.50 2qbi s LYS 24 N -4.11 1.06 -0.82 3.99 2.20 0.51 -4.87 119.74 117.69 2qbi s LYS 24 Ca 0.42 -0.93 0.02 0.00 -0.36 0.00 0.00 55.97 55.13 2qbi s LYS 24 Cb -0.09 0.41 0.29 0.00 -1.51 0.00 0.00 37.83 36.94 2qbi s LYS 24 CO 0.30 -0.39 1.17 -1.71 -0.36 0.00 0.00 175.35 174.36 2qbi n ASN 25 N -0.18 5.24 -0.50 1.43 2.85 -1.26 -2.46 115.26 120.37 2qbi n ASN 25 Ca -0.13 -3.52 0.44 0.00 -0.11 0.00 0.00 54.58 51.26 2qbi n ASN 25 Cb 0.63 -0.91 0.76 0.00 1.24 0.00 0.00 39.78 41.51 2qbi n ASN 25 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2qbi h LYS 26 N 4.35 0.00 -0.49 1.20 1.63 -1.79 0.30 116.57 121.77 2qbi h LYS 26 Ca 0.24 0.00 0.14 0.00 -0.85 0.00 0.00 60.65 60.18 2qbi h LYS 26 Cb 0.57 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 2qbi h LYS 26 CO 1.04 0.00 0.40 0.00 -3.45 0.00 0.00 179.45 177.44 2qbi h ARG 27 N 0.00 0.00 0.00 1.90 2.47 -1.90 -2.91 114.38 113.95 2qbi h ARG 27 Ca 0.74 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.46 2qbi h ARG 27 Cb 3.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 31.42 2qbi h ARG 27 CO -0.01 0.00 0.00 0.25 0.56 0.00 0.00 179.97 180.77 2qbi n THR 28 N -4.13 0.00 -3.17 2.04 -2.24 0.94 -4.89 114.28 102.84 2qbi n THR 28 Ca 0.09 -0.23 -0.24 0.00 -2.27 0.00 0.00 64.05 61.41 2qbi n THR 28 Cb 0.61 1.46 -0.05 0.00 -2.10 0.00 0.00 70.33 70.25 2qbi n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qbi n LYS 29 N -0.07 1.85 0.00 -0.78 4.76 -0.47 -4.92 118.16 118.52 2qbi n LYS 29 Ca 0.00 -4.01 0.02 0.00 -2.87 0.00 0.00 58.31 51.45 2qbi n LYS 29 Cb 0.12 -1.85 0.13 0.00 -1.84 0.00 0.00 35.03 31.58 2qbi n LYS 29 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2qbi n PRO 30 N 0.50 0.11 -2.96 1.97 -0.02 -1.23 -4.50 135.00 128.88 2qbi n PRO 30 Ca 0.27 0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 61.45 2qbi n PRO 30 Cb 0.51 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.44 2qbi n PRO 30 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2qbi s GLU 31 N -2.26 4.19 0.00 -0.52 1.03 -1.26 -4.98 118.70 114.90 2qbi s GLU 31 Ca 0.06 0.84 -0.32 0.00 0.03 0.00 0.00 54.97 55.58 2qbi s GLU 31 Cb 0.03 -3.63 -0.10 0.00 -0.80 0.00 0.00 34.13 29.63 2qbi s GLU 31 CO 0.06 -0.45 1.92 1.63 -1.33 0.00 0.00 175.26 177.09 2qbi n LYS 32 N 5.76 2.59 -2.26 -4.83 4.01 -1.26 -4.76 118.16 117.41 2qbi n LYS 32 Ca 0.04 0.95 -0.41 0.00 -0.51 0.00 0.00 58.31 58.38 2qbi n LYS 32 Cb 0.48 -2.86 -0.03 0.00 -0.51 0.00 0.00 35.03 32.12 2qbi n LYS 32 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2qbi s LEU 33 N 4.08 4.47 -0.01 -0.35 2.96 -0.15 -4.84 118.68 124.84 2qbi s LEU 33 Ca 0.90 2.49 -0.03 0.00 -0.22 0.00 0.00 54.13 57.27 2qbi s LEU 33 Cb -0.54 -3.63 -0.00 0.00 0.50 0.00 0.00 46.19 42.51 2qbi s LEU 33 CO 0.45 -0.39 0.06 -1.61 -1.32 0.00 0.00 176.35 173.54 2qbi s GLU 34 N -1.40 0.21 0.00 1.98 2.02 -1.26 -3.53 118.70 116.73 2qbi s GLU 34 Ca 0.48 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.31 2qbi s GLU 34 Cb -0.36 0.09 0.00 0.00 0.10 0.00 0.00 34.13 33.95 2qbi s GLU 34 CO 0.46 -0.04 0.00 1.47 0.02 0.00 0.00 175.26 177.17 2qbi n LEU 35 N 2.40 0.00 -1.54 1.80 -0.00 -1.12 -5.00 117.00 113.55 2qbi n LEU 35 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 2qbi n LEU 35 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 2qbi n LEU 35 CO 0.22 0.00 -0.39 0.29 -0.00 0.00 0.00 177.39 177.52 2qbi n LYS 36 N 0.00 -4.26 -0.98 1.47 5.02 -1.26 -4.86 118.16 113.30 2qbi n LYS 36 Ca 0.00 3.08 0.00 0.00 -2.02 0.00 0.00 58.31 59.37 2qbi n LYS 36 Cb 0.00 -3.36 0.00 0.00 -0.02 0.00 0.00 35.03 31.65 2qbi n LYS 36 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qbi n LYS 37 N 0.46 0.00 -3.35 1.97 5.02 0.14 -4.82 118.16 117.58 2qbi n LYS 37 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 2qbi n LYS 37 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 2qbi n LYS 37 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2qbi s PHE 38 N -4.29 3.58 -0.60 2.13 5.36 -1.26 -0.27 117.98 122.63 2qbi s PHE 38 Ca 0.00 0.94 -0.07 0.00 -0.96 0.00 0.00 56.93 56.84 2qbi s PHE 38 Cb 0.00 -2.50 0.15 0.00 -0.34 0.00 0.00 43.02 40.34 2qbi s PHE 38 CO 0.00 0.30 0.45 0.34 -1.46 0.00 0.00 175.22 174.84 2qbi s ASP 39 N 0.15 5.64 0.37 6.13 -1.08 -1.21 -4.94 116.67 121.72 2qbi s ASP 39 Ca 0.26 -2.48 0.18 0.00 -0.52 0.00 0.00 52.55 49.99 2qbi s ASP 39 Cb -0.16 -1.96 1.16 0.00 -1.46 0.00 0.00 42.92 40.51 2qbi s ASP 39 CO 0.12 -0.51 1.67 -0.65 0.52 0.00 0.00 175.17 176.31 2qbi h PRO 40 N 7.66 0.27 0.09 4.34 0.11 -1.95 1.42 132.00 143.94 2qbi h PRO 40 Ca -0.06 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 2qbi h PRO 40 Cb 1.01 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2qbi h PRO 40 CO 0.76 0.18 -0.04 0.28 -0.21 0.00 0.00 178.00 178.97 2qbi h VAL 41 N 0.28 0.97 -0.02 3.15 2.07 -1.98 -2.87 116.25 117.86 2qbi h VAL 41 Ca 0.74 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 68.06 2qbi h VAL 41 Cb 1.84 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2qbi h VAL 41 CO -0.53 0.05 -0.11 0.52 0.02 0.00 0.00 177.57 177.52 2qbi n VAL 42 N -5.10 0.00 -4.09 2.57 0.31 -0.40 -4.96 118.33 106.65 2qbi n VAL 42 Ca -0.08 -0.27 -0.32 0.00 -0.01 0.00 0.00 64.34 63.66 2qbi n VAL 42 Cb 0.11 0.72 -0.04 0.00 -0.91 0.00 0.00 33.84 33.73 2qbi n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qbi n ARG 43 N 0.17 -1.56 -3.61 5.55 1.74 0.47 -4.95 116.66 114.47 2qbi n ARG 43 Ca 0.16 0.22 -0.03 0.00 -0.77 0.00 0.00 57.85 57.42 2qbi n ARG 43 Cb 0.41 -3.72 -0.06 0.00 -1.02 0.00 0.00 32.46 28.07 2qbi n ARG 43 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qbi s GLN 44 N -7.00 0.53 0.02 5.56 -1.52 -1.18 -4.97 119.66 111.11 2qbi s GLN 44 Ca 0.15 1.02 -0.34 0.00 -1.95 0.00 0.00 55.36 54.24 2qbi s GLN 44 Cb -0.07 0.28 -0.13 0.00 -0.22 0.00 0.00 33.01 32.87 2qbi s GLN 44 CO 0.95 -0.13 1.74 0.72 -0.25 0.00 0.00 175.29 178.32 2qbi n HIS 45 N 4.39 2.29 -4.09 0.91 8.25 -1.26 -3.34 115.22 122.37 2qbi n HIS 45 Ca -0.17 0.13 -0.10 0.00 -0.26 0.00 0.00 57.72 57.32 2qbi n HIS 45 Cb 0.56 -2.61 -0.08 0.00 1.12 0.00 0.00 29.99 28.98 2qbi n HIS 45 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qbi s VAL 46 N 2.63 0.05 0.18 1.59 0.11 0.63 -4.92 120.40 120.66 2qbi s VAL 46 Ca 0.87 -1.71 -0.31 0.00 -2.93 0.00 0.00 61.98 57.90 2qbi s VAL 46 Cb -0.69 -2.14 -0.09 0.00 -1.53 0.00 0.00 36.38 31.93 2qbi s VAL 46 CO 0.46 -0.22 1.43 -0.63 -3.33 0.00 0.00 175.10 172.80 2qbi s ILE 47 N -4.05 2.97 -0.18 7.04 1.09 -1.26 -0.68 121.20 126.13 2qbi s ILE 47 Ca 0.26 0.74 -0.02 0.00 -1.10 0.00 0.00 60.65 60.53 2qbi s ILE 47 Cb 0.05 -3.48 -0.01 0.00 -1.06 0.00 0.00 42.46 37.96 2qbi s ILE 47 CO 0.05 0.08 -0.08 -0.31 -0.10 0.00 0.00 174.94 174.58 2qbi s TYR 48 N 0.64 2.90 0.00 3.97 2.02 -1.26 -1.20 117.35 124.42 2qbi s TYR 48 Ca 0.63 -0.80 0.00 0.00 -0.37 0.00 0.00 57.07 56.53 2qbi s TYR 48 Cb -0.40 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.18 2qbi s TYR 48 CO 0.35 -0.39 0.00 1.17 -1.57 0.00 0.00 175.55 175.12 2qbi n LYS 49 N 4.19 2.00 -2.02 -0.62 3.00 -0.29 -2.78 118.16 121.63 2qbi n LYS 49 Ca -0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.12 2qbi n LYS 49 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.54 2qbi n LYS 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2qbi n GLU 50 N -0.29 -3.64 0.00 1.64 4.07 -1.23 -1.23 120.64 119.95 2qbi n GLU 50 Ca 0.00 2.80 0.00 0.00 -0.06 0.00 0.00 57.16 59.90 2qbi n GLU 50 Cb 0.00 -3.59 0.00 0.00 -0.06 0.00 0.00 31.44 27.79 2qbi n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qbi n ALA 51 N 1.29 0.00 0.00 4.31 0.00 -1.26 -3.84 120.51 121.01 2qbi n ALA 51 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2qbi n ALA 51 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2qbi n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13