#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ql0 h LYS 2 N 0.00 0.00 -7.08 0.03 2.10 -2.00 -3.46 116.57 106.16 2ql0 h LYS 2 Ca 0.00 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.17 2ql0 h LYS 2 Cb 0.00 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.34 2ql0 h LYS 2 CO 0.00 0.71 0.30 0.21 -2.00 0.00 0.00 179.45 178.67 2ql0 s LYS 3 N -2.71 3.93 -0.07 0.07 2.36 -1.26 -4.51 119.74 117.56 2ql0 s LYS 3 Ca -0.01 0.84 -0.12 0.00 -2.55 0.00 0.00 55.97 54.13 2ql0 s LYS 3 Cb 0.09 -2.21 0.03 0.00 -1.05 0.00 0.00 37.83 34.68 2ql0 s LYS 3 CO 0.82 -0.18 0.30 0.71 1.55 0.00 0.00 175.35 178.55 2ql0 s TYR 4 N -2.50 -0.25 0.14 4.03 2.02 -1.26 -3.50 117.35 116.02 2ql0 s TYR 4 Ca 0.57 0.55 0.09 0.00 -0.37 0.00 0.00 57.07 57.90 2ql0 s TYR 4 Cb -0.10 0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.52 2ql0 s TYR 4 CO 0.29 -0.26 -0.21 0.54 -1.57 0.00 0.00 175.55 174.35 2ql0 s VAL 5 N -0.53 1.86 -0.72 0.71 0.11 -0.80 -2.59 120.40 118.44 2ql0 s VAL 5 Ca -0.06 -1.76 -0.19 0.00 -2.93 0.00 0.00 61.98 57.03 2ql0 s VAL 5 Cb -0.04 -1.76 0.11 0.00 -1.53 0.00 0.00 36.38 33.16 2ql0 s VAL 5 CO 0.02 -0.16 0.89 0.00 -3.33 0.00 0.00 175.10 172.51 2ql0 n THR 7 N 5.47 1.25 0.10 0.00 5.66 -1.20 0.18 114.28 125.73 2ql0 n THR 7 Ca 0.03 0.38 -0.10 0.00 -3.05 0.00 0.00 64.05 61.31 2ql0 n THR 7 Cb 0.45 -1.27 -0.07 0.00 -1.55 0.00 0.00 70.33 67.90 2ql0 n THR 7 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2ql0 h VAL 8 N 0.00 0.61 0.00 1.08 2.07 -1.89 -3.41 116.25 114.72 2ql0 h VAL 8 Ca 0.00 -0.93 -0.20 0.00 0.82 0.00 0.00 66.70 66.38 2ql0 h VAL 8 Cb 0.17 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2ql0 h VAL 8 CO 0.00 0.15 -1.67 0.00 0.02 0.00 0.00 177.57 176.07 2ql0 n GLY 10 N 1.37 0.71 3.76 0.00 0.00 0.48 -5.06 105.19 106.44 2ql0 n GLY 10 Ca -0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 2ql0 n GLY 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ql0 s TYR 11 N -0.61 2.37 -0.07 1.61 5.04 -1.24 -4.59 117.35 119.87 2ql0 s TYR 11 Ca 0.00 1.36 0.01 0.00 -2.44 0.00 0.00 57.07 56.00 2ql0 s TYR 11 Cb 0.00 -3.80 -0.03 0.00 0.35 0.00 0.00 41.96 38.48 2ql0 s TYR 11 CO 0.00 -2.81 -0.08 -1.21 -1.34 0.00 0.00 175.55 170.11 2ql0 s GLU 12 N -2.77 2.75 0.04 4.97 2.02 -1.26 -0.51 118.70 123.93 2ql0 s GLU 12 Ca 0.68 -0.57 0.04 0.00 0.02 0.00 0.00 54.97 55.14 2ql0 s GLU 12 Cb -0.40 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 2ql0 s GLU 12 CO 0.49 0.64 -0.05 -0.47 0.02 0.00 0.00 175.26 175.89 2ql0 s TYR 13 N -0.74 2.91 -0.04 1.61 6.14 -1.07 -5.01 117.35 121.14 2ql0 s TYR 13 Ca 0.11 -0.04 0.02 0.00 0.64 0.00 0.00 57.07 57.80 2ql0 s TYR 13 Cb -0.11 -1.57 0.02 0.00 0.42 0.00 0.00 41.96 40.71 2ql0 s TYR 13 CO 0.01 0.41 -0.07 0.34 0.64 0.00 0.00 175.55 176.89 2ql0 s ASP 14 N -1.74 1.13 0.00 4.32 -1.08 -1.26 -4.25 116.67 113.79 2ql0 s ASP 14 Ca 0.20 -0.17 0.23 0.00 -0.52 0.00 0.00 52.55 52.29 2ql0 s ASP 14 Cb -0.11 -0.51 1.28 0.00 -1.46 0.00 0.00 42.92 42.12 2ql0 s ASP 14 CO 0.11 -0.02 1.77 -0.81 0.52 0.00 0.00 175.17 176.74 2ql0 n PRO 15 N 3.86 0.53 -0.06 4.34 -0.04 -1.26 -1.01 135.00 141.37 2ql0 n PRO 15 Ca -0.24 0.04 -0.13 0.00 -0.04 0.00 0.00 63.50 63.13 2ql0 n PRO 15 Cb 0.52 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 2ql0 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ql0 h ALA 16 N 3.28 -0.00 0.19 0.55 0.00 -1.94 -1.18 119.26 120.16 2ql0 h ALA 16 Ca 0.00 -0.45 -0.35 0.00 0.00 0.00 0.00 54.91 54.11 2ql0 h ALA 16 Cb 0.11 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2ql0 h ALA 16 CO 0.00 -0.03 -1.74 1.05 0.00 0.00 0.00 179.25 178.53 2ql0 h GLU 17 N -0.95 0.40 0.00 0.00 4.11 -1.90 -3.05 114.58 113.19 2ql0 h GLU 17 Ca -0.00 -0.68 0.00 0.00 0.07 0.00 0.00 59.36 58.75 2ql0 h GLU 17 Cb 0.90 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2ql0 h GLU 17 CO 0.00 1.32 0.00 0.41 0.07 0.00 0.00 179.01 180.81 2ql0 n GLY 18 N 1.85 0.65 0.00 1.06 0.00 -0.18 -4.16 105.19 104.41 2ql0 n GLY 18 Ca -0.24 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2ql0 n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ql0 n ASP 19 N 3.00 0.00 0.00 1.61 8.00 -1.26 -4.65 116.55 123.25 2ql0 n ASP 19 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.60 2ql0 n ASP 19 Cb 0.00 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 41.56 2ql0 n ASP 19 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2ql0 n PRO 20 N 0.00 0.01 -0.34 -0.24 -0.04 -1.26 -1.59 135.00 131.54 2ql0 n PRO 20 Ca 0.00 0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 2ql0 n PRO 20 Cb 0.00 -1.51 0.29 0.00 -0.04 0.00 0.00 33.50 32.23 2ql0 n PRO 20 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2ql0 h ASP 21 N 0.00 0.76 0.00 3.54 1.82 -1.95 -3.32 116.42 117.27 2ql0 h ASP 21 Ca 0.00 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 2ql0 h ASP 21 Cb 0.38 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.34 2ql0 h ASP 21 CO 0.00 0.30 0.00 0.59 -1.61 0.00 0.00 179.24 178.52 2ql0 n ASN 22 N -4.76 0.00 -1.63 2.28 3.02 -1.20 -5.01 115.26 107.95 2ql0 n ASN 22 Ca 0.21 0.04 -0.00 0.00 -0.03 0.00 0.00 54.58 54.80 2ql0 n ASN 22 Cb 0.51 -0.24 0.01 0.00 -0.61 0.00 0.00 39.78 39.45 2ql0 n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ql0 n GLY 23 N 2.07 -0.79 3.99 7.41 0.00 -1.23 -5.16 105.19 111.49 2ql0 n GLY 23 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2ql0 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ql0 s VAL 24 N 0.01 2.94 0.21 1.61 1.01 -0.62 -5.00 120.40 120.56 2ql0 s VAL 24 Ca 0.01 -0.87 0.11 0.00 0.00 0.00 0.00 61.98 61.23 2ql0 s VAL 24 Cb 0.03 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 2ql0 s VAL 24 CO -0.01 -0.01 -0.21 -1.59 0.00 0.00 0.00 175.10 173.28 2ql0 s LYS 25 N -4.50 1.62 -0.79 2.72 0.00 -1.26 -4.18 119.74 113.35 2ql0 s LYS 25 Ca 0.55 -1.55 -0.26 0.00 0.00 0.00 0.00 55.97 54.72 2ql0 s LYS 25 Cb -0.10 -1.87 0.00 0.00 0.00 0.00 0.00 37.83 35.86 2ql0 s LYS 25 CO 0.35 0.39 1.62 -1.25 0.00 0.00 0.00 175.35 176.46 2ql0 s PRO 26 N -2.87 2.98 0.00 1.78 0.04 -1.26 -3.88 135.00 131.79 2ql0 s PRO 26 Ca 0.23 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.09 2ql0 s PRO 26 Cb -0.07 -4.66 0.00 0.00 0.04 0.00 0.00 34.50 29.80 2ql0 s PRO 26 CO 0.12 -2.58 0.00 0.41 0.04 0.00 0.00 177.00 174.99 2ql0 n GLY 27 N 6.08 0.72 2.82 0.56 0.00 -1.15 -4.99 105.19 109.24 2ql0 n GLY 27 Ca 0.22 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 2ql0 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ql0 s THR 28 N -0.91 -0.45 0.40 2.61 2.01 -0.45 -5.03 115.64 113.81 2ql0 s THR 28 Ca 0.00 -0.10 -0.23 0.00 0.31 0.00 0.00 61.69 61.67 2ql0 s THR 28 Cb 0.00 -0.74 -0.14 0.00 0.01 0.00 0.00 72.50 71.63 2ql0 s THR 28 CO 0.00 -0.17 0.48 -1.54 -0.69 0.00 0.00 174.62 172.70 2ql0 n SER 29 N 5.34 -1.17 0.29 3.53 3.41 -1.26 -4.57 113.62 119.19 2ql0 n SER 29 Ca -0.05 0.92 0.15 0.00 -0.26 0.00 0.00 58.87 59.64 2ql0 n SER 29 Cb 0.50 -1.07 0.88 0.00 -0.26 0.00 0.00 64.21 64.26 2ql0 n SER 29 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2ql0 h PHE 30 N 0.78 0.00 0.00 7.33 3.04 -1.92 0.14 116.94 126.31 2ql0 h PHE 30 Ca -0.39 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.56 2ql0 h PHE 30 Cb 1.41 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.92 2ql0 h PHE 30 CO 0.36 0.05 0.00 0.22 -2.02 0.00 0.00 178.31 176.92 2ql0 h ASP 31 N 0.00 0.00 -0.41 0.41 3.58 -1.87 -2.91 116.42 115.23 2ql0 h ASP 31 Ca -0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2ql0 h ASP 31 Cb 0.16 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2ql0 h ASP 31 CO 0.01 0.00 0.04 0.47 -2.88 0.00 0.00 179.24 176.87 2ql0 n ASP 32 N -2.59 4.09 -4.92 2.28 9.92 0.50 -4.91 116.55 120.92 2ql0 n ASP 32 Ca 0.05 -2.66 -0.27 0.00 -0.53 0.00 0.00 54.79 51.38 2ql0 n ASP 32 Cb 0.45 -0.63 -0.02 0.00 -0.64 0.00 0.00 41.12 40.27 2ql0 n ASP 32 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2ql0 s LEU 33 N -1.86 4.03 0.00 0.64 1.43 -1.10 -4.90 118.68 116.93 2ql0 s LEU 33 Ca 0.36 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 2ql0 s LEU 33 Cb 0.28 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 43.03 2ql0 s LEU 33 CO 0.10 -0.23 0.00 -0.81 0.23 0.00 0.00 176.35 175.64 2ql0 n PRO 34 N -1.21 0.34 -0.00 1.29 -0.04 -1.26 -5.01 135.00 129.11 2ql0 n PRO 34 Ca -0.03 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.49 2ql0 n PRO 34 Cb 0.54 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.92 2ql0 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ql0 n ALA 35 N -3.00 2.60 -0.62 0.55 0.00 -1.26 -4.38 120.51 114.41 2ql0 n ALA 35 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 53.44 53.11 2ql0 n ALA 35 Cb 0.00 -0.39 0.25 0.00 0.00 0.00 0.00 19.45 19.30 2ql0 n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ql0 n ASP 36 N -1.79 4.27 -4.84 0.00 5.75 -1.26 -4.90 116.55 113.78 2ql0 n ASP 36 Ca -0.01 -2.97 -0.38 0.00 -0.01 0.00 0.00 54.79 51.42 2ql0 n ASP 36 Cb 0.28 -0.70 -0.06 0.00 -1.03 0.00 0.00 41.12 39.61 2ql0 n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 2ql0 s TRP 37 N -2.49 3.72 0.29 2.11 -0.00 -1.26 -5.08 118.94 116.22 2ql0 s TRP 37 Ca 0.44 0.98 0.03 0.00 -0.00 0.00 0.00 56.10 57.55 2ql0 s TRP 37 Cb 0.35 -2.28 -0.06 0.00 -0.00 0.00 0.00 33.47 31.48 2ql0 s TRP 37 CO 0.11 0.63 0.06 0.14 -0.00 0.00 0.00 176.95 177.89 2ql0 s VAL 38 N -1.11 0.94 0.28 5.86 -7.23 -1.26 -4.52 120.40 113.36 2ql0 s VAL 38 Ca 0.25 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 2ql0 s VAL 38 Cb -0.16 -2.68 -0.11 0.00 0.56 0.00 0.00 36.38 34.00 2ql0 s VAL 38 CO 0.14 -0.05 1.47 0.00 -0.31 0.00 0.00 175.10 176.36 2ql0 n PRO 40 N 1.99 0.66 -0.11 0.00 -0.04 -1.26 -2.19 135.00 134.05 2ql0 n PRO 40 Ca 0.06 0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.38 2ql0 n PRO 40 Cb 0.39 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.30 2ql0 n PRO 40 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ql0 n VAL 41 N -1.06 1.51 0.00 0.52 0.31 -1.26 -4.94 118.33 113.40 2ql0 n VAL 41 Ca 0.16 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 2ql0 n VAL 41 Cb 0.10 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 30.84 2ql0 n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ql0 n GLY 43 N 2.79 0.10 3.97 0.00 0.00 -0.93 -4.83 105.19 106.29 2ql0 n GLY 43 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2ql0 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ql0 s ALA 44 N -0.05 3.95 0.80 4.61 0.00 -1.26 -4.54 121.76 125.27 2ql0 s ALA 44 Ca 0.00 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.61 2ql0 s ALA 44 Cb 0.00 -1.97 0.07 0.00 0.00 0.00 0.00 23.12 21.22 2ql0 s ALA 44 CO 0.00 -0.31 1.10 -1.25 0.00 0.00 0.00 175.76 175.30 2ql0 s PRO 45 N -4.45 2.08 0.36 0.00 0.04 -1.26 -2.30 135.00 129.46 2ql0 s PRO 45 Ca 0.49 0.64 0.26 0.00 0.04 0.00 0.00 61.00 62.42 2ql0 s PRO 45 Cb -0.10 -1.92 1.27 0.00 0.04 0.00 0.00 34.50 33.79 2ql0 s PRO 45 CO 0.36 -1.63 1.79 0.87 0.04 0.00 0.00 177.00 178.43 2ql0 h LYS 46 N -1.09 0.00 0.00 4.56 1.57 -1.93 -0.59 116.57 119.09 2ql0 h LYS 46 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2ql0 h LYS 46 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2ql0 h LYS 46 CO 0.59 0.00 0.00 0.45 -0.57 0.00 0.00 179.45 179.92 2ql0 n SER 47 N -2.41 0.36 -0.97 0.86 2.88 -1.26 -0.61 113.62 112.46 2ql0 n SER 47 Ca -0.00 0.61 0.11 0.00 -1.33 0.00 0.00 58.87 58.26 2ql0 n SER 47 Cb 0.13 -0.68 0.16 0.00 -0.75 0.00 0.00 64.21 63.07 2ql0 n SER 47 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2ql0 n GLU 48 N -1.92 2.22 -3.54 -1.46 -0.58 -0.23 -4.83 120.64 110.30 2ql0 n GLU 48 Ca 0.01 -2.03 -0.41 0.00 -0.42 0.00 0.00 57.16 54.31 2ql0 n GLU 48 Cb 0.14 -1.44 -0.09 0.00 -0.57 0.00 0.00 31.44 29.48 2ql0 n GLU 48 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2ql0 s PHE 49 N -1.50 3.34 0.50 -0.32 0.40 0.22 -3.27 117.98 117.34 2ql0 s PHE 49 Ca 0.31 -1.49 -0.06 0.00 -0.60 0.00 0.00 56.93 55.09 2ql0 s PHE 49 Cb 0.19 -3.15 -0.04 0.00 0.51 0.00 0.00 43.02 40.54 2ql0 s PHE 49 CO 0.28 -0.88 0.82 -1.21 0.70 0.00 0.00 175.22 174.93 2ql0 s GLU 50 N 1.46 3.56 -0.01 0.44 8.01 -1.06 -4.79 118.70 126.31 2ql0 s GLU 50 Ca 0.04 0.29 -0.26 0.00 0.01 0.00 0.00 54.97 55.05 2ql0 s GLU 50 Cb -0.24 -2.34 -0.04 0.00 -4.31 0.00 0.00 34.13 27.20 2ql0 s GLU 50 CO 0.02 -0.24 0.81 0.00 0.01 0.00 0.00 175.26 175.86 2ql0 s ALA 51 N -2.78 3.28 -1.57 5.21 0.00 -1.26 -1.90 121.76 122.74 2ql0 s ALA 51 Ca 0.49 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2ql0 s ALA 51 Cb -0.10 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2ql0 s ALA 51 CO 0.45 -0.10 0.39 0.00 0.00 0.00 0.00 175.76 176.50