#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbe n ILE 4 N 0.00 0.00 -3.43 -0.61 -5.35 -1.26 -4.83 119.36 103.89 2qbe n ILE 4 Ca 0.00 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 62.04 2qbe n ILE 4 Cb 0.00 -0.27 -0.05 0.00 -1.74 0.00 0.00 39.64 37.58 2qbe n ILE 4 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2qbe s ARG 5 N -0.53 3.14 0.73 6.28 1.81 -1.26 -4.55 118.95 124.56 2qbe s ARG 5 Ca 0.00 -2.23 -0.12 0.00 -1.72 0.00 0.00 55.73 51.66 2qbe s ARG 5 Cb 0.00 -4.21 0.03 0.00 -0.45 0.00 0.00 34.95 30.32 2qbe s ARG 5 CO 0.00 -1.26 1.10 -1.21 -0.68 0.00 0.00 175.30 173.25 2qbe s GLU 6 N 0.57 2.47 0.15 3.54 8.01 -0.79 -4.67 118.70 127.99 2qbe s GLU 6 Ca 0.13 1.27 -0.19 0.00 0.01 0.00 0.00 54.97 56.19 2qbe s GLU 6 Cb -0.18 -1.92 -0.07 0.00 -4.31 0.00 0.00 34.13 27.65 2qbe s GLU 6 CO -0.04 -1.49 0.65 0.15 0.01 0.00 0.00 175.26 174.54 2qbe s LYS 7 N -4.54 4.22 0.20 1.61 1.02 -1.26 -0.82 119.74 120.17 2qbe s LYS 7 Ca 0.64 0.79 0.11 0.00 0.02 0.00 0.00 55.97 57.53 2qbe s LYS 7 Cb -0.19 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 2qbe s LYS 7 CO 0.50 0.51 -0.20 0.42 -0.92 0.00 0.00 175.35 175.65 2qbe s ILE 8 N -1.34 2.56 -0.39 2.17 -1.09 0.53 -4.88 121.20 118.76 2qbe s ILE 8 Ca 0.37 -1.98 0.02 0.00 -2.23 0.00 0.00 60.65 56.84 2qbe s ILE 8 Cb -0.18 -2.25 0.11 0.00 -1.58 0.00 0.00 42.46 38.57 2qbe s ILE 8 CO 0.21 -0.14 0.14 -1.59 -1.23 0.00 0.00 174.94 172.33 2qbe s LYS 9 N -2.78 1.34 -0.39 2.79 0.00 -1.26 -2.08 119.74 117.37 2qbe s LYS 9 Ca 0.22 -1.84 -0.28 0.00 0.00 0.00 0.00 55.97 54.07 2qbe s LYS 9 Cb -0.08 -2.73 -0.01 0.00 0.00 0.00 0.00 37.83 35.01 2qbe s LYS 9 CO 0.11 -1.03 1.63 -0.51 0.00 0.00 0.00 175.35 175.56 2qbe s LEU 10 N 0.74 3.52 0.25 2.77 1.02 0.23 -4.61 118.68 122.60 2qbe s LEU 10 Ca 0.13 1.02 -0.07 0.00 0.02 0.00 0.00 54.13 55.23 2qbe s LEU 10 Cb -0.21 -3.45 -0.06 0.00 0.02 0.00 0.00 46.19 42.49 2qbe s LEU 10 CO -0.09 -1.64 0.53 -0.69 0.02 0.00 0.00 176.35 174.48 2qbe s VAL 11 N 6.40 5.01 0.33 -1.59 1.01 -0.80 0.25 120.40 131.01 2qbe s VAL 11 Ca 0.71 0.20 -0.26 0.00 0.00 0.00 0.00 61.98 62.62 2qbe s VAL 11 Cb -0.18 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 2qbe s VAL 11 CO 0.32 -0.19 0.95 -0.55 0.00 0.00 0.00 175.10 175.64 2qbe s SER 12 N -2.79 7.31 0.45 3.32 0.15 -1.09 0.49 113.70 121.54 2qbe s SER 12 Ca 0.45 1.85 0.25 0.00 0.70 0.00 0.00 55.95 59.20 2qbe s SER 12 Cb -0.11 -2.58 0.91 0.00 -1.71 0.00 0.00 66.02 62.53 2qbe s SER 12 CO 0.26 -0.09 1.82 0.77 1.20 0.00 0.00 173.24 177.20 2qbe h SER 13 N 3.15 0.00 -4.28 5.45 4.64 -1.81 -3.44 113.55 117.25 2qbe h SER 13 Ca -0.47 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.35 2qbe h SER 13 Cb 1.19 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.37 2qbe h SER 13 CO 0.65 0.19 0.37 0.00 -0.87 0.00 0.00 176.83 177.17 2qbe s ALA 14 N -3.59 2.69 0.55 5.18 0.00 -1.26 -4.90 121.76 120.42 2qbe s ALA 14 Ca 0.01 0.22 0.33 0.00 0.00 0.00 0.00 51.96 52.52 2qbe s ALA 14 Cb 0.10 -3.20 1.79 0.00 0.00 0.00 0.00 23.12 21.81 2qbe s ALA 14 CO 0.63 -1.07 2.00 0.78 0.00 0.00 0.00 175.76 178.10 2qbe h GLY 15 N -0.24 0.00 -4.40 0.00 0.00 -2.02 -3.43 103.07 92.98 2qbe h GLY 15 Ca -0.45 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.35 2qbe h GLY 15 CO 0.57 0.00 0.91 -1.30 0.00 0.00 0.00 176.54 176.72 2qbe n THR 16 N -2.83 0.79 1.43 4.70 -2.24 -1.26 -4.87 114.28 109.99 2qbe n THR 16 Ca -0.02 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2qbe n THR 16 Cb 0.25 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 66.51 2qbe n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbe n GLY 17 N 2.57 -0.39 3.76 3.38 0.00 -1.26 -4.56 105.19 108.68 2qbe n GLY 17 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2qbe n GLY 17 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qbe s HIS 18 N -1.80 2.48 0.08 1.61 5.65 -1.26 -4.93 115.29 117.12 2qbe s HIS 18 Ca 0.00 1.54 -0.26 0.00 0.25 0.00 0.00 55.06 56.59 2qbe s HIS 18 Cb 0.00 -3.36 0.08 0.00 -1.18 0.00 0.00 32.58 28.12 2qbe s HIS 18 CO 0.00 -1.96 0.72 -0.59 -0.65 0.00 0.00 174.74 172.25 2qbe s PHE 19 N -1.83 -0.48 0.31 3.88 -0.71 -1.26 -2.66 117.98 115.24 2qbe s PHE 19 Ca 0.74 0.35 0.08 0.00 -1.04 0.00 0.00 56.93 57.06 2qbe s PHE 19 Cb -0.26 0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 42.05 2qbe s PHE 19 CO 0.34 -0.71 0.17 0.71 -1.34 0.00 0.00 175.22 174.39 2qbe s TYR 20 N -3.29 2.84 0.00 3.49 2.02 0.14 -4.94 117.35 117.61 2qbe s TYR 20 Ca 0.02 -0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.46 2qbe s TYR 20 Cb -0.01 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 39.97 2qbe s TYR 20 CO -0.10 0.37 -0.10 -0.08 -1.57 0.00 0.00 175.55 174.08 2qbe s THR 21 N -2.32 0.76 0.08 -0.71 -1.32 -1.26 -0.60 115.64 110.27 2qbe s THR 21 Ca 0.37 -0.49 -0.07 0.00 -1.21 0.00 0.00 61.69 60.29 2qbe s THR 21 Cb -0.05 -0.65 0.02 0.00 -1.51 0.00 0.00 72.50 70.31 2qbe s THR 21 CO 0.24 0.16 0.33 1.07 -2.21 0.00 0.00 174.62 174.21 2qbe n THR 22 N 2.69 0.00 -4.47 5.08 5.66 -0.88 -5.00 114.28 117.35 2qbe n THR 22 Ca -0.14 -0.23 -0.24 0.00 -3.05 0.00 0.00 64.05 60.39 2qbe n THR 22 Cb 0.56 0.28 -0.10 0.00 -1.55 0.00 0.00 70.33 69.53 2qbe n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2qbe s THR 23 N -2.47 2.50 0.09 1.09 -4.23 -1.26 0.20 115.64 111.55 2qbe s THR 23 Ca 0.07 -2.33 -0.12 0.00 -1.18 0.00 0.00 61.69 58.12 2qbe s THR 23 Cb -0.01 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.44 2qbe s THR 23 CO 0.02 -0.36 0.29 -0.75 -0.54 0.00 0.00 174.62 173.28 2qbe s LYS 24 N -3.54 0.90 -0.92 3.99 2.20 0.00 -4.83 119.74 117.54 2qbe s LYS 24 Ca 0.31 -0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 55.16 2qbe s LYS 24 Cb -0.04 0.38 0.28 0.00 -1.51 0.00 0.00 37.83 36.94 2qbe s LYS 24 CO 0.16 -0.31 1.14 -1.71 -0.36 0.00 0.00 175.35 174.26 2qbe n ASN 25 N 0.09 5.24 0.31 1.43 5.15 -1.26 -1.89 115.26 124.33 2qbe n ASN 25 Ca -0.16 -3.36 0.11 0.00 -0.60 0.00 0.00 54.58 50.57 2qbe n ASN 25 Cb 0.62 -1.06 0.61 0.00 -0.53 0.00 0.00 39.78 39.42 2qbe n ASN 25 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 2qbe h LYS 26 N 5.19 0.00 0.00 1.20 1.63 -1.79 0.27 116.57 123.07 2qbe h LYS 26 Ca 0.19 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2qbe h LYS 26 Cb 0.67 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 2qbe h LYS 26 CO 1.10 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 177.64 2qbe n ARG 27 N -2.71 0.13 0.00 1.90 5.12 -1.26 -3.53 116.66 116.30 2qbe n ARG 27 Ca -0.01 0.51 0.00 0.00 -1.93 0.00 0.00 57.85 56.42 2qbe n ARG 27 Cb 0.49 -1.82 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 2qbe n ARG 27 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2qbe n THR 28 N -2.08 0.00 -3.31 0.55 -2.24 -0.01 -4.95 114.28 102.24 2qbe n THR 28 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.52 2qbe n THR 28 Cb 0.11 0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 2qbe n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qbe n LYS 29 N 0.00 2.56 0.31 -0.78 4.76 -0.63 -4.90 118.16 119.48 2qbe n LYS 29 Ca 0.00 -4.62 0.18 0.00 -2.87 0.00 0.00 58.31 51.00 2qbe n LYS 29 Cb 0.00 -2.19 1.02 0.00 -1.84 0.00 0.00 35.03 32.01 2qbe n LYS 29 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 2qbe h PRO 30 N 3.92 0.00 -6.34 1.97 0.11 -1.82 -3.41 132.00 126.43 2qbe h PRO 30 Ca 0.18 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.75 2qbe h PRO 30 Cb 0.65 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.77 2qbe h PRO 30 CO 0.81 0.02 1.19 -1.83 -0.21 0.00 0.00 178.00 177.98 2qbe s GLU 31 N -4.31 4.15 -0.02 1.05 1.03 -1.26 -4.88 118.70 114.46 2qbe s GLU 31 Ca -0.04 2.50 -0.30 0.00 0.03 0.00 0.00 54.97 57.15 2qbe s GLU 31 Cb 0.14 -4.09 -0.09 0.00 -0.80 0.00 0.00 34.13 29.29 2qbe s GLU 31 CO 0.49 -0.92 2.01 1.63 -1.33 0.00 0.00 175.26 177.15 2qbe n LYS 32 N 7.34 2.63 -2.51 -4.83 4.76 -1.25 -4.83 118.16 119.48 2qbe n LYS 32 Ca 0.19 0.93 -0.40 0.00 -2.87 0.00 0.00 58.31 56.16 2qbe n LYS 32 Cb 0.41 -3.01 -0.04 0.00 -1.84 0.00 0.00 35.03 30.55 2qbe n LYS 32 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2qbe s LEU 33 N 5.15 4.56 -0.01 -0.35 2.96 -0.11 -4.85 118.68 126.03 2qbe s LEU 33 Ca 0.92 2.23 -0.12 0.00 -0.22 0.00 0.00 54.13 56.94 2qbe s LEU 33 Cb -0.45 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 42.63 2qbe s LEU 33 CO 0.42 -0.11 0.26 -1.61 -1.32 0.00 0.00 176.35 173.99 2qbe s GLU 34 N -1.42 0.61 0.00 1.98 2.02 -1.26 -3.94 118.70 116.69 2qbe s GLU 34 Ca 0.44 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.19 2qbe s GLU 34 Cb -0.31 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.18 2qbe s GLU 34 CO 0.40 -0.16 0.00 1.47 0.02 0.00 0.00 175.26 176.99 2qbe n LEU 35 N 1.35 0.00 -1.05 1.80 -0.00 -1.19 -5.04 117.00 112.87 2qbe n LEU 35 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 2qbe n LEU 35 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2qbe n LEU 35 CO 0.22 0.07 -0.23 0.29 -0.00 0.00 0.00 177.39 177.74 2qbe n LYS 36 N 0.00 -2.61 -0.94 1.47 5.02 -1.26 -4.90 118.16 114.95 2qbe n LYS 36 Ca 0.00 1.97 0.00 0.00 -2.02 0.00 0.00 58.31 58.26 2qbe n LYS 36 Cb 0.07 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 2qbe n LYS 36 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qbe n LYS 37 N 0.37 0.00 -3.56 1.97 5.02 -0.22 -4.83 118.16 116.90 2qbe n LYS 37 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 2qbe n LYS 37 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 2qbe n LYS 37 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2qbe s PHE 38 N -2.55 3.49 -0.60 2.13 5.36 -1.26 -0.67 117.98 123.87 2qbe s PHE 38 Ca 0.00 0.61 -0.10 0.00 -0.96 0.00 0.00 56.93 56.48 2qbe s PHE 38 Cb 0.00 -2.30 0.16 0.00 -0.34 0.00 0.00 43.02 40.53 2qbe s PHE 38 CO 0.00 0.30 0.49 0.34 -1.46 0.00 0.00 175.22 174.89 2qbe s ASP 39 N 0.26 5.92 0.26 6.13 -1.08 -1.16 -4.95 116.67 122.05 2qbe s ASP 39 Ca 0.16 -2.32 -0.05 0.00 -0.52 0.00 0.00 52.55 49.83 2qbe s ASP 39 Cb -0.13 -2.05 0.51 0.00 -1.46 0.00 0.00 42.92 39.79 2qbe s ASP 39 CO 0.04 -0.61 1.62 -0.65 0.52 0.00 0.00 175.17 176.10 2qbe h PRO 40 N 8.00 0.08 -0.17 4.34 0.11 -1.93 0.51 132.00 142.94 2qbe h PRO 40 Ca -0.09 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.04 2qbe h PRO 40 Cb 1.04 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.08 2qbe h PRO 40 CO 0.82 0.05 -0.44 0.28 -0.21 0.00 0.00 178.00 178.50 2qbe h VAL 41 N 0.09 0.00 -0.00 3.15 2.07 -1.96 0.22 116.25 119.82 2qbe h VAL 41 Ca 0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.98 2qbe h VAL 41 Cb 0.84 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2qbe h VAL 41 CO -0.73 0.00 -0.03 0.52 0.02 0.00 0.00 177.57 177.35 2qbe n VAL 42 N -4.86 0.00 -2.56 2.57 0.31 -0.94 -4.90 118.33 107.96 2qbe n VAL 42 Ca -0.04 -0.02 -0.16 0.00 -0.01 0.00 0.00 64.34 64.11 2qbe n VAL 42 Cb 0.30 -0.37 -0.00 0.00 -0.91 0.00 0.00 33.84 32.85 2qbe n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qbe n ARG 43 N -1.12 -2.42 -3.77 5.55 1.74 0.17 -4.95 116.66 111.87 2qbe n ARG 43 Ca 0.16 0.69 -0.13 0.00 -0.77 0.00 0.00 57.85 57.81 2qbe n ARG 43 Cb 0.23 -5.34 -0.13 0.00 -1.02 0.00 0.00 32.46 26.20 2qbe n ARG 43 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2qbe s GLN 44 N -5.18 0.20 0.74 5.56 -0.44 -1.09 -4.95 119.66 114.51 2qbe s GLN 44 Ca 0.06 0.36 -0.16 0.00 -2.50 0.00 0.00 55.36 53.13 2qbe s GLN 44 Cb -0.03 -0.00 -0.00 0.00 -1.64 0.00 0.00 33.01 31.34 2qbe s GLN 44 CO 0.07 -0.09 0.78 0.72 0.50 0.00 0.00 175.29 177.27 2qbe n HIS 45 N 3.53 -0.00 -3.32 1.67 8.25 -1.26 -3.01 115.22 121.07 2qbe n HIS 45 Ca -0.18 0.37 -0.02 0.00 -0.26 0.00 0.00 57.72 57.62 2qbe n HIS 45 Cb 0.56 -2.00 0.01 0.00 1.12 0.00 0.00 29.99 29.68 2qbe n HIS 45 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2qbe n VAL 46 N -2.60 0.00 -3.38 1.59 3.14 0.15 -4.84 118.33 112.40 2qbe n VAL 46 Ca 0.11 -0.28 -0.44 0.00 -2.96 0.00 0.00 64.34 60.78 2qbe n VAL 46 Cb 0.50 0.30 -0.08 0.00 -1.06 0.00 0.00 33.84 33.49 2qbe n VAL 46 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2qbe s ILE 47 N -2.65 5.18 0.16 1.55 1.09 -1.26 -1.05 121.20 124.21 2qbe s ILE 47 Ca 0.05 -0.75 -0.21 0.00 -1.10 0.00 0.00 60.65 58.64 2qbe s ILE 47 Cb -0.01 -4.07 -0.08 0.00 -1.06 0.00 0.00 42.46 37.24 2qbe s ILE 47 CO 0.03 -0.49 0.68 -0.31 -0.10 0.00 0.00 174.94 174.75 2qbe s TYR 48 N 1.84 3.77 0.00 3.97 2.02 -1.26 -2.36 117.35 125.33 2qbe s TYR 48 Ca 0.07 1.40 0.00 0.00 -0.37 0.00 0.00 57.07 58.17 2qbe s TYR 48 Cb -0.21 -2.61 0.00 0.00 -0.40 0.00 0.00 41.96 38.74 2qbe s TYR 48 CO 0.09 0.47 0.00 1.17 -1.57 0.00 0.00 175.55 175.72 2qbe n LYS 49 N 1.28 2.85 -2.52 -0.62 3.00 0.18 -3.17 118.16 119.15 2qbe n LYS 49 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.23 2qbe n LYS 49 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.52 2qbe n LYS 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2qbe n GLU 50 N 0.00 -3.21 -2.93 1.64 4.07 -1.25 -1.90 120.64 117.05 2qbe n GLU 50 Ca 0.00 2.43 0.03 0.00 -0.06 0.00 0.00 57.16 59.56 2qbe n GLU 50 Cb 0.00 -3.21 0.00 0.00 -0.06 0.00 0.00 31.44 28.18 2qbe n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qbe s ALA 51 N -0.38 -4.06 0.00 4.31 0.00 -1.25 -3.54 121.76 116.84 2qbe s ALA 51 Ca -0.09 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.05 2qbe s ALA 51 Cb 0.01 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.20 2qbe s ALA 51 CO 0.25 -2.34 0.00 1.63 0.00 0.00 0.00 175.76 175.30