#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 0.25 -0.14 -0.67 -0.21 -1.26 -5.04 119.66 112.58 1ssu s GLN 2 Ca 0.00 0.05 -0.26 0.00 0.02 0.00 0.00 55.36 55.17 1ssu s GLN 2 Cb 0.00 -0.39 0.06 0.00 1.00 0.00 0.00 33.01 33.68 1ssu s GLN 2 CO 0.00 -0.10 0.65 -2.00 -2.12 0.00 0.00 175.29 171.72 1ssu s GLU 3 N 0.78 0.90 0.34 2.91 2.12 -1.26 -5.00 118.70 119.49 1ssu s GLU 3 Ca -0.08 0.54 -0.10 0.00 0.36 0.00 0.00 54.97 55.69 1ssu s GLU 3 Cb -0.11 0.43 0.04 0.00 0.26 0.00 0.00 34.13 34.75 1ssu s GLU 3 CO -0.01 -0.21 0.62 0.45 -0.54 0.00 0.00 175.26 175.57 1ssu n SER 4 N 1.77 -1.80 -0.23 -1.70 2.88 -1.26 -2.08 113.62 111.19 1ssu n SER 4 Ca -0.17 -2.49 0.32 0.00 -1.33 0.00 0.00 58.87 55.20 1ssu n SER 4 Cb 0.56 3.06 0.66 0.00 -0.75 0.00 0.00 64.21 67.74 1ssu n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ssu s LYS 6 N -4.67 2.55 0.00 0.00 1.02 -1.26 -0.63 119.74 116.75 1ssu s LYS 6 Ca -0.04 0.72 0.00 0.00 0.02 0.00 0.00 55.97 56.67 1ssu s LYS 6 Cb 0.19 -4.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.08 1ssu s LYS 6 CO 0.64 -2.81 0.00 0.41 -0.92 0.00 0.00 175.35 172.66 1ssu n GLY 7 N 5.74 0.47 0.00 -3.33 0.00 -1.26 -4.92 105.19 101.89 1ssu n GLY 7 Ca 0.23 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.93 0.74 -1.75 1.61 1.74 0.20 -5.08 116.66 111.19 1ssu n ARG 8 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1ssu n ARG 8 Cb 0.00 -0.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.98 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 0.05 -0.96 0.55 0.00 -1.04 0.46 -4.94 114.28 108.41 1ssu n THR 10 Ca 0.04 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.18 1ssu n THR 10 Cb 0.40 -2.89 0.45 0.00 -1.82 0.00 0.00 70.33 66.46 1ssu n THR 10 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1ssu n GLU 11 N -3.00 0.21 -0.00 -2.82 0.28 -1.18 -5.02 120.64 109.13 1ssu n GLU 11 Ca -0.24 0.29 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1ssu n GLU 11 Cb 0.68 -1.81 0.00 0.00 1.43 0.00 0.00 31.44 31.75 1ssu n GLU 11 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ssu n GLY 12 N 0.76 0.45 3.76 -1.84 0.00 -1.26 -5.06 105.19 102.01 1ssu n GLY 12 Ca 0.04 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.25 3.21 -0.22 1.61 5.36 -1.26 -4.90 117.98 121.52 1ssu s PHE 13 Ca 0.00 1.49 -0.04 0.00 -0.96 0.00 0.00 56.93 57.42 1ssu s PHE 13 Cb 0.00 -3.56 0.12 0.00 -0.34 0.00 0.00 43.02 39.23 1ssu s PHE 13 CO 0.00 -1.49 0.37 1.21 -1.46 0.00 0.00 175.22 173.86 1ssu s ASN 14 N -0.56 0.19 0.00 6.13 3.84 -1.26 -5.06 114.94 118.22 1ssu s ASN 14 Ca 0.48 0.40 0.20 0.00 0.21 0.00 0.00 52.86 54.15 1ssu s ASN 14 Cb -0.37 1.11 1.00 0.00 -0.55 0.00 0.00 41.25 42.43 1ssu s ASN 14 CO 0.49 -0.28 1.64 0.55 -2.79 0.00 0.00 177.10 176.71 1ssu n VAL 15 N 5.37 0.42 0.39 -5.21 3.14 -1.26 -2.70 118.33 118.48 1ssu n VAL 15 Ca -0.05 0.10 0.12 0.00 -2.96 0.00 0.00 64.34 61.56 1ssu n VAL 15 Cb 0.50 -0.77 0.25 0.00 -1.06 0.00 0.00 33.84 32.76 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 0.00 -3.88 6.55 3.58 -1.97 -3.47 116.42 117.23 1ssu h ASP 16 Ca 0.00 -0.02 -0.45 0.00 0.42 0.00 0.00 57.03 56.98 1ssu h ASP 16 Cb 0.22 0.00 0.16 0.00 1.72 0.00 0.00 39.33 41.42 1ssu h ASP 16 CO 0.00 0.01 0.19 -0.54 -2.88 0.00 0.00 179.24 176.02 1ssu s LYS 17 N -3.18 0.43 -0.09 0.28 1.02 -1.10 -5.02 119.74 112.09 1ssu s LYS 17 Ca 0.08 0.53 -0.24 0.00 0.02 0.00 0.00 55.97 56.36 1ssu s LYS 17 Cb 0.09 -1.74 -0.20 0.00 -0.52 0.00 0.00 37.83 35.46 1ssu s LYS 17 CO 0.66 -2.73 0.86 0.87 -0.92 0.00 0.00 175.35 174.08 1ssu h LYS 18 N -1.89 -0.05 -6.50 1.68 6.56 -1.90 -3.44 116.57 111.02 1ssu h LYS 18 Ca -0.54 0.00 -0.50 0.00 -1.06 0.00 0.00 60.65 58.55 1ssu h LYS 18 Cb 1.33 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.00 1ssu h LYS 18 CO 0.57 0.61 -0.17 0.00 -2.06 0.00 0.00 179.45 178.40 1ssu n GLN 20 N -1.40 3.01 -0.22 0.00 3.00 -1.23 -4.92 117.38 115.62 1ssu n GLN 20 Ca -0.03 -4.65 0.00 0.00 -0.01 0.00 0.00 57.00 52.30 1ssu n GLN 20 Cb 0.55 -2.32 0.00 0.00 0.00 0.00 0.00 30.24 28.47 1ssu n GLN 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ssu s ASP 22 N 1.85 -0.03 0.42 0.00 2.15 -1.26 -0.40 116.67 119.39 1ssu s ASP 22 Ca 0.00 -0.77 0.21 0.00 0.43 0.00 0.00 52.55 52.42 1ssu s ASP 22 Cb 0.00 0.47 1.17 0.00 -0.30 0.00 0.00 42.92 44.26 1ssu s ASP 22 CO 0.00 -0.93 1.77 -0.33 -0.17 0.00 0.00 175.17 175.51 1ssu h GLU 23 N 2.46 0.32 0.00 4.34 5.08 -1.95 -2.30 114.58 122.53 1ssu h GLU 23 Ca -0.31 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1ssu h GLU 23 Cb 1.24 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ssu h GLU 23 CO 0.46 0.21 -0.02 1.28 -1.00 0.00 0.00 179.01 179.94 1ssu n LEU 24 N -4.58 0.32 0.27 1.33 4.77 -1.26 -4.21 117.00 113.63 1ssu n LEU 24 Ca 0.26 0.52 0.11 0.00 -0.03 0.00 0.00 56.01 56.86 1ssu n LEU 24 Cb 0.94 -0.42 0.75 0.00 -2.33 0.00 0.00 43.42 42.36 1ssu n LEU 24 CO 0.27 -0.07 1.08 0.00 -1.33 0.00 0.00 177.39 177.34 1ssu n SER 26 N -4.22 0.20 -0.03 0.00 3.41 -1.26 -1.03 113.62 110.69 1ssu n SER 26 Ca -0.03 0.53 -0.22 0.00 -0.26 0.00 0.00 58.87 58.90 1ssu n SER 26 Cb 0.10 -0.58 -0.13 0.00 -0.26 0.00 0.00 64.21 63.33 1ssu n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ssu n TYR 27 N -1.70 1.18 0.85 7.33 9.36 -0.83 -4.32 117.16 129.02 1ssu n TYR 27 Ca 0.05 0.31 0.11 0.00 3.32 0.00 0.00 57.90 61.69 1ssu n TYR 27 Cb 0.27 -1.14 0.50 0.00 -0.63 0.00 0.00 39.34 38.34 1ssu n TYR 27 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1ssu n TYR 28 N -3.76 0.00 -3.72 2.98 4.01 -1.09 -4.93 117.16 110.64 1ssu n TYR 28 Ca -0.32 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.14 1ssu n TYR 28 Cb 0.94 -0.44 0.05 0.00 -0.31 0.00 0.00 39.34 39.57 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 -1.44 -6.36 0.00 -0.72 1.13 -0.20 -4.93 117.38 104.86 1ssu n GLN 29 Ca 0.07 0.70 0.00 0.00 -1.94 0.00 0.00 57.00 55.83 1ssu n GLN 29 Cb 0.24 -5.65 0.00 0.00 0.11 0.00 0.00 30.24 24.94 1ssu n GLN 29 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1ssu n SER 30 N -2.86 1.19 -4.44 1.08 3.41 -0.92 -5.05 113.62 106.03 1ssu n SER 30 Ca 0.02 -1.41 -0.33 0.00 -0.26 0.00 0.00 58.87 56.89 1ssu n SER 30 Cb 0.54 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.61 1ssu n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ssu h THR 33 N -0.62 0.52 0.00 0.00 2.02 -1.79 -2.88 112.91 110.14 1ssu h THR 33 Ca -0.43 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 1ssu h THR 33 Cb 1.35 0.73 -0.14 0.00 -1.74 0.00 0.00 68.15 68.34 1ssu h THR 33 CO 0.30 0.00 -0.65 0.47 0.37 0.00 0.00 175.52 176.01 1ssu n ASP 34 N -3.95 0.73 -0.31 4.18 8.00 -1.26 -5.02 116.55 118.91 1ssu n ASP 34 Ca 0.07 -2.26 -0.01 0.00 0.71 0.00 0.00 54.79 53.30 1ssu n ASP 34 Cb 0.54 -0.28 0.03 0.00 -0.02 0.00 0.00 41.12 41.38 1ssu n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ssu n TYR 35 N -0.04 0.00 0.51 1.24 9.36 -1.09 -0.89 117.16 126.25 1ssu n TYR 35 Ca 0.05 1.00 0.08 0.00 3.32 0.00 0.00 57.90 62.35 1ssu n TYR 35 Cb 0.86 -0.79 0.33 0.00 -0.63 0.00 0.00 39.34 39.11 1ssu n TYR 35 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1ssu n THR 36 N -5.19 0.95 0.14 2.97 -2.24 -1.26 -0.56 114.28 109.10 1ssu n THR 36 Ca 0.08 0.24 0.02 0.00 -2.27 0.00 0.00 64.05 62.12 1ssu n THR 36 Cb 0.32 -1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 67.52 1ssu n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ssu n ALA 37 N -1.52 2.46 -0.20 6.98 0.00 -0.06 -4.80 120.51 123.37 1ssu n ALA 37 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ssu n ALA 37 Cb 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ssu n ALA 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ssu n GLU 38 N -1.36 0.00 0.23 0.00 -0.58 -0.16 -4.93 120.64 113.84 1ssu n GLU 38 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 1ssu n GLU 38 Cb 0.10 0.00 0.38 0.00 -0.57 0.00 0.00 31.44 31.35 1ssu n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ssu n LYS 40 N -3.20 0.00 -0.60 0.00 4.81 0.28 -4.50 118.16 114.95 1ssu n LYS 40 Ca 0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.41 1ssu n LYS 40 Cb 0.47 -0.63 -0.06 0.00 0.02 0.00 0.00 35.03 34.83 1ssu n LYS 40 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1ssu n PRO 41 N 3.51 1.20 -2.19 1.64 -0.04 -1.26 -3.53 135.00 134.33 1ssu n PRO 41 Ca 0.33 -0.35 0.02 0.00 -0.04 0.00 0.00 63.50 63.45 1ssu n PRO 41 Cb 0.04 -1.43 0.04 0.00 -0.04 0.00 0.00 33.50 32.10 1ssu n PRO 41 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ssu n GLN 42 N 2.00 0.90 -4.27 0.54 10.64 -1.26 -5.01 117.38 120.92 1ssu n GLN 42 Ca 0.15 -2.72 -0.18 0.00 -1.83 0.00 0.00 57.00 52.42 1ssu n GLN 42 Cb 0.57 -0.79 -0.15 0.00 -0.86 0.00 0.00 30.24 29.01 1ssu n GLN 42 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1ssu s VAL 43 N -1.92 0.58 0.00 -0.39 1.01 -1.23 -5.07 120.40 113.39 1ssu s VAL 43 Ca 0.29 -0.30 0.23 0.00 0.00 0.00 0.00 61.98 62.20 1ssu s VAL 43 Cb 0.35 -0.50 0.37 0.00 0.00 0.00 0.00 36.38 36.60 1ssu s VAL 43 CO -0.10 0.17 1.15 1.07 0.00 0.00 0.00 175.10 177.39 1ssu n THR 44 N 3.01 0.00 -4.02 3.92 5.66 -1.26 -5.09 114.28 116.50 1ssu n THR 44 Ca -0.14 -0.87 -0.09 0.00 -3.05 0.00 0.00 64.05 59.89 1ssu n THR 44 Cb 0.57 0.93 -0.08 0.00 -1.55 0.00 0.00 70.33 70.20 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 0.00 1.04 -0.10 1.09 0.52 -1.26 -5.05 118.95 115.19 1ssu s ARG 45 Ca 0.30 -1.25 0.19 0.00 -0.52 0.00 0.00 55.73 54.44 1ssu s ARG 45 Cb 0.34 0.32 0.71 0.00 0.52 0.00 0.00 34.95 36.85 1ssu s ARG 45 CO -0.15 -0.35 1.62 0.41 0.02 0.00 0.00 175.30 176.86 1ssu n GLY 46 N -0.15 2.75 3.41 -3.53 0.00 -1.26 -4.96 105.19 101.44 1ssu n GLY 46 Ca -0.07 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 1ssu n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ssu s ASP 47 N -0.93 -0.52 0.43 1.61 2.15 -1.26 -5.16 116.67 112.99 1ssu s ASP 47 Ca 0.51 0.94 -0.25 0.00 0.43 0.00 0.00 52.55 54.18 1ssu s ASP 47 Cb 0.32 0.96 -0.09 0.00 -0.30 0.00 0.00 42.92 43.81 1ssu s ASP 47 CO 0.25 -0.23 1.21 0.52 -0.17 0.00 0.00 175.17 176.75 1ssu n VAL 48 N 2.55 2.64 -4.18 1.11 0.31 -1.26 -5.05 118.33 114.45 1ssu n VAL 48 Ca -0.14 -0.50 -0.17 0.00 -0.01 0.00 0.00 64.34 63.51 1ssu n VAL 48 Cb 0.56 -1.47 -0.06 0.00 -0.91 0.00 0.00 33.84 31.96 1ssu n VAL 48 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1ssu s PHE 49 N -1.23 1.41 0.58 3.52 -0.71 -1.26 -5.16 117.98 115.13 1ssu s PHE 49 Ca 0.63 -1.48 -0.20 0.00 -1.04 0.00 0.00 56.93 54.83 1ssu s PHE 49 Cb -0.51 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 40.86 1ssu s PHE 49 CO 0.57 -1.01 1.22 0.25 -1.34 0.00 0.00 175.22 174.91 1ssu n THR 50 N -0.59 4.00 -1.63 -4.49 -2.24 -1.26 -5.24 114.28 102.81 1ssu n THR 50 Ca 0.04 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1ssu n THR 50 Cb 0.62 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 1ssu n THR 50 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65