#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssu s GLN 2 N 0.00 0.98 0.04 -0.67 -2.07 -1.26 -5.02 119.66 111.65 1ssu s GLN 2 Ca 0.00 0.72 -0.06 0.00 -1.82 0.00 0.00 55.36 54.20 1ssu s GLN 2 Cb 0.00 -1.78 -0.01 0.00 -1.09 0.00 0.00 33.01 30.13 1ssu s GLN 2 CO 0.00 -2.41 0.11 -2.00 -1.32 0.00 0.00 175.29 169.68 1ssu s GLU 3 N -4.95 0.61 0.14 9.60 2.56 -1.26 -5.05 118.70 120.36 1ssu s GLU 3 Ca 0.64 -0.74 0.10 0.00 0.00 0.00 0.00 54.97 54.96 1ssu s GLU 3 Cb -0.18 0.24 -0.04 0.00 2.00 0.00 0.00 34.13 36.15 1ssu s GLU 3 CO 0.57 -0.16 -0.22 -1.12 -0.56 0.00 0.00 175.26 173.77 1ssu s SER 4 N -2.14 2.92 0.00 -1.70 0.01 -1.26 -4.32 113.70 107.21 1ssu s SER 4 Ca -0.05 -0.78 0.27 0.00 1.31 0.00 0.00 55.95 56.70 1ssu s SER 4 Cb -0.01 -0.18 0.96 0.00 0.21 0.00 0.00 66.02 67.00 1ssu s SER 4 CO -0.05 0.07 1.70 0.00 0.41 0.00 0.00 173.24 175.37 1ssu s LYS 6 N -2.54 2.56 0.00 0.00 1.02 -1.26 -0.52 119.74 119.00 1ssu s LYS 6 Ca 0.25 -0.38 0.00 0.00 0.02 0.00 0.00 55.97 55.86 1ssu s LYS 6 Cb 0.19 -5.08 0.00 0.00 -0.52 0.00 0.00 37.83 32.42 1ssu s LYS 6 CO 0.51 -3.42 0.00 0.41 -0.92 0.00 0.00 175.35 171.93 1ssu n GLY 7 N 6.76 1.22 0.00 -3.33 0.00 -1.26 -5.03 105.19 103.55 1ssu n GLY 7 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1ssu n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ssu n ARG 8 N -0.11 2.67 -1.66 1.61 1.74 0.32 -5.03 116.66 116.21 1ssu n ARG 8 Ca 0.00 0.00 -0.50 0.00 -0.77 0.00 0.00 57.85 56.58 1ssu n ARG 8 Cb 0.00 -0.67 -0.05 0.00 -1.02 0.00 0.00 32.46 30.72 1ssu n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ssu n THR 10 N 3.72 -0.90 0.33 0.00 -1.04 0.27 -4.93 114.28 111.72 1ssu n THR 10 Ca 0.20 0.00 0.22 0.00 -2.04 0.00 0.00 64.05 62.43 1ssu n THR 10 Cb 0.24 -2.66 1.17 0.00 -1.82 0.00 0.00 70.33 67.26 1ssu n THR 10 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1ssu h GLU 11 N -0.07 0.00 0.00 -2.82 4.11 -1.33 -3.49 114.58 110.98 1ssu h GLU 11 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1ssu h GLU 11 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1ssu h GLU 11 CO 0.50 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.99 1ssu n GLY 12 N -1.09 2.75 3.77 1.06 0.00 -1.26 -5.08 105.19 105.34 1ssu n GLY 12 Ca -0.03 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 1ssu n GLY 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ssu s PHE 13 N -2.23 3.54 -0.25 1.61 5.36 -1.26 -4.79 117.98 119.96 1ssu s PHE 13 Ca 0.00 1.72 -0.08 0.00 -0.96 0.00 0.00 56.93 57.61 1ssu s PHE 13 Cb 0.00 -3.17 0.11 0.00 -0.34 0.00 0.00 43.02 39.62 1ssu s PHE 13 CO 0.00 -0.39 0.53 1.21 -1.46 0.00 0.00 175.22 175.11 1ssu s ASN 14 N -1.19 -0.68 0.02 6.13 3.84 -1.26 -5.07 114.94 116.72 1ssu s ASN 14 Ca 0.49 1.23 0.22 0.00 0.21 0.00 0.00 52.86 55.01 1ssu s ASN 14 Cb -0.27 1.81 0.94 0.00 -0.55 0.00 0.00 41.25 43.18 1ssu s ASN 14 CO 0.34 -0.23 1.71 0.55 -2.79 0.00 0.00 177.10 176.69 1ssu n VAL 15 N 5.42 0.49 0.03 -5.21 3.14 -1.26 -3.47 118.33 117.47 1ssu n VAL 15 Ca -0.10 0.11 -0.11 0.00 -2.96 0.00 0.00 64.34 61.28 1ssu n VAL 15 Cb 0.49 -0.75 -0.14 0.00 -1.06 0.00 0.00 33.84 32.39 1ssu n VAL 15 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1ssu h ASP 16 N 0.00 0.14 -4.00 6.55 3.58 -2.00 -3.48 116.42 117.21 1ssu h ASP 16 Ca 0.00 -0.21 -0.49 0.00 0.42 0.00 0.00 57.03 56.75 1ssu h ASP 16 Cb 0.39 -0.04 0.03 0.00 1.72 0.00 0.00 39.33 41.43 1ssu h ASP 16 CO 0.00 1.18 0.42 -1.59 -2.88 0.00 0.00 179.24 176.37 1ssu s LYS 17 N -2.63 3.98 0.29 0.28 -2.85 -1.23 -4.98 119.74 112.61 1ssu s LYS 17 Ca -0.05 1.54 0.07 0.00 -1.00 0.00 0.00 55.97 56.53 1ssu s LYS 17 Cb 0.08 -2.41 0.45 0.00 -2.06 0.00 0.00 37.83 33.89 1ssu s LYS 17 CO 0.83 -0.31 1.69 -0.22 0.10 0.00 0.00 175.35 177.44 1ssu h LYS 18 N 2.17 0.18 -4.66 1.78 1.63 -1.91 -3.38 116.57 112.39 1ssu h LYS 18 Ca -0.49 -0.09 -0.70 0.00 -0.85 0.00 0.00 60.65 58.52 1ssu h LYS 18 Cb 1.22 0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 32.59 1ssu h LYS 18 CO 0.61 0.61 -0.57 0.00 -3.45 0.00 0.00 179.45 176.65 1ssu n GLN 20 N 4.90 3.45 -0.20 0.00 6.02 -0.49 -4.79 117.38 126.26 1ssu n GLN 20 Ca -0.12 -3.34 0.00 0.00 -0.01 0.00 0.00 57.00 53.53 1ssu n GLN 20 Cb 0.46 -3.01 0.00 0.00 1.02 0.00 0.00 30.24 28.70 1ssu n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ssu s ASP 22 N 1.67 1.04 0.62 0.00 1.47 -1.26 -0.57 116.67 119.64 1ssu s ASP 22 Ca 0.00 -1.53 0.39 0.00 1.18 0.00 0.00 52.55 52.59 1ssu s ASP 22 Cb 0.00 0.63 2.04 0.00 -0.34 0.00 0.00 42.92 45.25 1ssu s ASP 22 CO 0.00 -1.23 2.24 -0.33 0.68 0.00 0.00 175.17 176.54 1ssu h GLU 23 N 2.14 0.00 -0.09 2.11 5.08 -1.93 -3.17 114.58 118.72 1ssu h GLU 23 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1ssu h GLU 23 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ssu h GLU 23 CO 0.39 0.01 0.00 1.28 -1.00 0.00 0.00 179.01 179.69 1ssu n LEU 24 N -3.19 2.40 0.06 1.33 4.77 -1.26 -4.72 117.00 116.38 1ssu n LEU 24 Ca -0.02 -1.17 0.03 0.00 -0.03 0.00 0.00 56.01 54.82 1ssu n LEU 24 Cb 0.15 -0.05 0.40 0.00 -2.33 0.00 0.00 43.42 41.58 1ssu n LEU 24 CO 0.23 0.47 1.02 0.00 -1.33 0.00 0.00 177.39 177.79 1ssu h SER 26 N 0.40 0.56 0.28 0.00 0.87 -1.86 0.45 113.55 114.24 1ssu h SER 26 Ca 0.10 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1ssu h SER 26 Cb 0.16 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1ssu h SER 26 CO -0.00 0.63 0.00 0.22 -0.53 0.00 0.00 176.83 177.15 1ssu h TYR 27 N 0.56 0.00 -0.00 2.24 3.20 -1.90 -2.91 116.97 118.16 1ssu h TYR 27 Ca 0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1ssu h TYR 27 Cb 0.37 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1ssu h TYR 27 CO 0.01 0.00 -0.07 0.66 -1.64 0.00 0.00 178.16 177.13 1ssu n TYR 28 N -2.41 0.00 -3.00 -3.82 4.01 -0.65 -5.03 117.16 106.27 1ssu n TYR 28 Ca -0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.53 1ssu n TYR 28 Cb 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.15 1ssu n TYR 28 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1ssu n GLN 29 N -0.99 -3.63 -0.20 -0.72 3.00 0.06 -4.92 117.38 109.98 1ssu n GLN 29 Ca 0.00 0.70 0.09 0.00 -0.01 0.00 0.00 57.00 57.79 1ssu n GLN 29 Cb 0.02 -5.45 0.18 0.00 0.00 0.00 0.00 30.24 24.99 1ssu n GLN 29 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1ssu n SER 30 N -2.27 2.88 -4.62 1.08 7.64 -1.13 -5.04 113.62 112.15 1ssu n SER 30 Ca -0.09 -3.02 -0.30 0.00 1.01 0.00 0.00 58.87 56.46 1ssu n SER 30 Cb 0.60 -0.46 0.19 0.00 -1.01 0.00 0.00 64.21 63.53 1ssu n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ssu n THR 33 N -1.08 1.61 -2.24 0.00 -2.24 -1.26 -1.53 114.28 107.53 1ssu n THR 33 Ca 0.11 0.52 0.04 0.00 -2.27 0.00 0.00 64.05 62.44 1ssu n THR 33 Cb 0.41 -1.48 0.04 0.00 -2.10 0.00 0.00 70.33 67.19 1ssu n THR 33 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ssu n ASP 34 N -1.71 0.92 -0.33 3.42 2.03 -1.26 -5.00 116.55 114.62 1ssu n ASP 34 Ca 0.00 -2.26 0.08 0.00 0.52 0.00 0.00 54.79 53.13 1ssu n ASP 34 Cb 0.04 -0.31 0.16 0.00 -0.72 0.00 0.00 41.12 40.29 1ssu n ASP 34 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ssu n TYR 35 N 0.14 0.40 0.29 -0.67 4.19 -0.58 -0.95 117.16 119.97 1ssu n TYR 35 Ca 0.07 1.13 0.05 0.00 3.31 0.00 0.00 57.90 62.46 1ssu n TYR 35 Cb 0.98 -1.08 0.24 0.00 0.49 0.00 0.00 39.34 39.98 1ssu n TYR 35 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 1ssu n THR 36 N -5.48 1.33 0.00 2.97 -1.04 -1.26 -0.79 114.28 110.02 1ssu n THR 36 Ca 0.17 0.37 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 1ssu n THR 36 Cb 0.52 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 1ssu n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ssu n ALA 37 N -1.55 1.98 0.02 2.41 0.00 -0.55 -4.71 120.51 118.11 1ssu n ALA 37 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 1ssu n ALA 37 Cb 0.11 0.35 -0.14 0.00 0.00 0.00 0.00 19.45 19.77 1ssu n ALA 37 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ssu h GLU 38 N 0.00 0.21 0.00 0.00 4.39 -0.91 -3.42 114.58 114.84 1ssu h GLU 38 Ca 0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1ssu h GLU 38 Cb 0.96 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1ssu h GLU 38 CO 0.00 1.02 -0.27 0.00 -1.16 0.00 0.00 179.01 178.59 1ssu n LYS 40 N -1.13 0.08 -1.55 0.00 4.81 0.03 -4.73 118.16 115.67 1ssu n LYS 40 Ca 0.00 0.02 -0.38 0.00 -0.87 0.00 0.00 58.31 57.07 1ssu n LYS 40 Cb 0.00 -1.58 0.04 0.00 0.02 0.00 0.00 35.03 33.51 1ssu n LYS 40 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1ssu n PRO 41 N 7.86 0.80 -2.09 1.64 -0.02 -1.26 -4.98 135.00 136.94 1ssu n PRO 41 Ca 0.57 0.31 -0.39 0.00 -2.02 0.00 0.00 63.50 61.96 1ssu n PRO 41 Cb 0.01 -1.95 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 1ssu n PRO 41 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ssu s GLN 42 N -2.37 4.00 -0.01 -0.52 -0.21 -1.26 -4.97 119.66 114.31 1ssu s GLN 42 Ca 0.71 2.11 0.24 0.00 0.02 0.00 0.00 55.36 58.44 1ssu s GLN 42 Cb -0.45 -2.76 0.42 0.00 1.00 0.00 0.00 33.01 31.22 1ssu s GLN 42 CO 0.51 -0.45 1.17 1.33 -2.12 0.00 0.00 175.29 175.73 1ssu n VAL 43 N 0.15 0.16 -2.37 1.09 0.24 -1.26 -4.87 118.33 111.47 1ssu n VAL 43 Ca 0.04 -1.14 -0.01 0.00 -2.04 0.00 0.00 64.34 61.19 1ssu n VAL 43 Cb 0.44 0.90 -0.00 0.00 -1.47 0.00 0.00 33.84 33.71 1ssu n VAL 43 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1ssu n THR 44 N 0.38 0.12 -4.42 3.34 5.66 -1.26 -5.12 114.28 112.97 1ssu n THR 44 Ca 0.07 -0.82 -0.23 0.00 -3.05 0.00 0.00 64.05 60.01 1ssu n THR 44 Cb 1.11 0.85 -0.10 0.00 -1.55 0.00 0.00 70.33 70.64 1ssu n THR 44 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1ssu s ARG 45 N -0.34 1.54 0.19 1.09 1.81 -1.26 -5.07 118.95 116.91 1ssu s ARG 45 Ca 0.20 -1.66 0.21 0.00 -1.72 0.00 0.00 55.73 52.75 1ssu s ARG 45 Cb 0.25 -1.61 0.00 0.00 -0.45 0.00 0.00 34.95 33.14 1ssu s ARG 45 CO -0.10 0.31 1.06 0.78 -0.68 0.00 0.00 175.30 176.67 1ssu h GLY 46 N 2.57 0.00 -2.89 -3.53 0.00 -2.00 -3.49 103.07 93.73 1ssu h GLY 46 Ca -0.41 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1ssu h GLY 46 CO 0.58 0.00 0.01 -0.35 0.00 0.00 0.00 176.54 176.78 1ssu s ASP 47 N -5.62 -0.30 0.00 0.19 2.15 -1.26 -5.04 116.67 106.79 1ssu s ASP 47 Ca -0.00 -0.33 0.00 0.00 0.43 0.00 0.00 52.55 52.65 1ssu s ASP 47 Cb 0.09 0.53 0.00 0.00 -0.30 0.00 0.00 42.92 43.24 1ssu s ASP 47 CO 0.78 -0.95 0.93 1.33 -0.17 0.00 0.00 175.17 177.10 1ssu n VAL 48 N -0.29 0.93 0.00 1.11 0.24 -1.26 -3.15 118.33 115.91 1ssu n VAL 48 Ca -0.14 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1ssu n VAL 48 Cb 0.63 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 1ssu n VAL 48 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1ssu n PHE 49 N 0.86 0.00 0.99 6.34 7.35 -1.26 -4.92 117.46 126.82 1ssu n PHE 49 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1ssu n PHE 49 Cb 0.38 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.21 1ssu n PHE 49 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1ssu n THR 50 N -0.44 0.72 0.00 -2.13 -2.24 -1.19 -5.17 114.28 103.83 1ssu n THR 50 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ssu n THR 50 Cb 0.00 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 1ssu n THR 50 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30