#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 0.18 -1.28 -0.67 -0.21 -1.26 -5.10 119.66 111.32 1ssu s GLN 2 Ca 0.00 0.02 -0.17 0.00 0.02 0.00 0.00 55.36 55.23 1ssu s GLN 2 Cb 0.00 0.08 0.10 0.00 1.00 0.00 0.00 33.01 34.19 1ssu s GLN 2 CO 0.00 -0.03 1.69 -0.85 -2.12 0.00 0.00 175.29 173.98 1ssu n GLU 3 N 2.72 3.23 -3.99 2.91 0.28 -1.26 -4.92 120.64 119.62 1ssu n GLU 3 Ca -0.14 -3.40 -0.12 0.00 -0.16 0.00 0.00 57.16 53.33 1ssu n GLU 3 Cb 0.58 -3.37 -0.02 0.00 1.43 0.00 0.00 31.44 30.07 1ssu n GLU 3 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1ssu s SER 4 N 3.77 0.58 0.00 -1.84 1.04 -1.26 -4.93 113.70 111.06 1ssu s SER 4 Ca 0.51 -1.35 0.13 0.00 0.48 0.00 0.00 55.95 55.72 1ssu s SER 4 Cb 0.03 0.73 0.79 0.00 0.10 0.00 0.00 66.02 67.67 1ssu s SER 4 CO 0.05 -1.43 1.22 0.00 0.98 0.00 0.00 173.24 174.06 1ssu s LYS 6 N -2.00 3.98 0.00 0.00 3.01 -1.26 -0.93 119.74 122.54 1ssu s LYS 6 Ca 0.20 1.88 0.00 0.00 -1.01 0.00 0.00 55.97 57.04 1ssu s LYS 6 Cb 0.09 -3.99 0.00 0.00 -1.01 0.00 0.00 37.83 32.92 1ssu s LYS 6 CO 0.15 -1.07 0.00 0.41 0.51 0.00 0.00 175.35 175.36 1ssu n GLY 7 N 4.35 0.61 0.00 -3.33 0.00 -1.26 -4.93 105.19 100.63 1ssu n GLY 7 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.77 2.64 -1.68 1.61 1.74 -0.11 -5.01 116.66 113.08 1ssu n ARG 8 Ca 0.00 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.63 1ssu n ARG 8 Cb 0.00 -0.77 -0.04 0.00 -1.02 0.00 0.00 32.46 30.63 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 4.03 -1.85 0.30 0.00 -1.04 -0.15 -4.93 114.28 110.64 1ssu n THR 10 Ca 0.18 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.37 1ssu n THR 10 Cb 0.32 -2.73 0.79 0.00 -1.82 0.00 0.00 70.33 66.89 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 -1.88 0.00 0.00 -2.82 4.11 -0.86 -3.48 114.58 109.65 1ssu h GLU 11 Ca -0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.88 1ssu h GLU 11 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1ssu h GLU 11 CO 0.65 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.14 1ssu n GLY 12 N -0.29 1.61 3.75 1.06 0.00 -1.26 -5.06 105.19 105.01 1ssu n GLY 12 Ca -0.00 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.49 3.26 -0.31 1.61 5.36 -1.26 -4.87 117.98 120.28 1ssu s PHE 13 Ca 0.00 1.40 -0.03 0.00 -0.96 0.00 0.00 56.93 57.35 1ssu s PHE 13 Cb 0.00 -3.55 0.19 0.00 -0.34 0.00 0.00 43.02 39.32 1ssu s PHE 13 CO 0.00 -1.55 0.83 1.21 -1.46 0.00 0.00 175.22 174.25 1ssu s ASN 14 N -0.23 -0.98 0.07 6.13 2.47 -1.26 -5.08 114.94 116.07 1ssu s ASN 14 Ca 0.51 0.01 0.05 0.00 0.42 0.00 0.00 52.86 53.85 1ssu s ASN 14 Cb -0.36 1.55 0.26 0.00 -1.45 0.00 0.00 41.25 41.25 1ssu s ASN 14 CO 0.44 -0.17 1.13 0.55 -3.72 0.00 0.00 177.10 175.33 1ssu n VAL 15 N 5.04 1.72 0.35 -5.21 3.14 -1.26 -0.92 118.33 121.19 1ssu n VAL 15 Ca 0.08 0.56 0.14 0.00 -2.96 0.00 0.00 64.34 62.15 1ssu n VAL 15 Cb 0.57 -1.56 0.43 0.00 -1.06 0.00 0.00 33.84 32.22 1ssu n VAL 15 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1ssu h ASP 16 N 0.00 0.00 -4.07 6.55 3.32 -1.99 -3.47 116.42 116.76 1ssu h ASP 16 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1ssu h ASP 16 Cb 0.04 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.66 1ssu h ASP 16 CO 0.00 0.00 0.44 -0.54 -1.72 0.00 0.00 179.24 177.42 1ssu s LYS 17 N -3.34 3.41 0.51 3.56 1.02 -0.10 -4.97 119.74 119.83 1ssu s LYS 17 Ca 0.05 1.63 0.21 0.00 0.02 0.00 0.00 55.97 57.89 1ssu s LYS 17 Cb 0.08 -2.06 1.33 0.00 -0.52 0.00 0.00 37.83 36.66 1ssu s LYS 17 CO 0.57 -0.81 2.08 -0.22 -0.92 0.00 0.00 175.35 176.06 1ssu h LYS 18 N 1.31 0.00 -4.36 1.68 1.63 -1.90 -3.40 116.57 111.53 1ssu h LYS 18 Ca -0.50 0.00 -0.44 0.00 -0.85 0.00 0.00 60.65 58.86 1ssu h LYS 18 Cb 1.26 0.00 -0.33 0.00 -0.60 0.00 0.00 32.23 32.56 1ssu h LYS 18 CO 0.57 0.11 -0.79 0.00 -3.45 0.00 0.00 179.45 175.89 1ssu n GLN 20 N 3.69 3.65 -1.06 0.00 1.13 -1.09 -4.85 117.38 118.86 1ssu n GLN 20 Ca -0.22 -3.29 -0.20 0.00 -1.94 0.00 0.00 57.00 51.35 1ssu n GLN 20 Cb 0.52 -2.93 -0.12 0.00 0.11 0.00 0.00 30.24 27.82 1ssu n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ssu n ASP 22 N 2.86 -1.44 0.11 0.00 5.68 -1.26 -0.98 116.55 121.52 1ssu n ASP 22 Ca 0.52 -2.84 0.10 0.00 -0.50 0.00 0.00 54.79 52.07 1ssu n ASP 22 Cb 0.68 2.64 0.46 0.00 -1.14 0.00 0.00 41.12 43.76 1ssu n ASP 22 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ssu n GLU 23 N -0.57 0.14 -0.00 0.11 1.02 -1.26 -3.57 120.64 116.51 1ssu n GLU 23 Ca -0.00 0.45 0.01 0.00 -0.02 0.00 0.00 57.16 57.60 1ssu n GLU 23 Cb 0.58 -1.81 0.01 0.00 -0.02 0.00 0.00 31.44 30.19 1ssu n GLU 23 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ssu n LEU 24 N -2.09 1.21 0.10 -4.62 4.77 -1.26 -4.81 117.00 110.29 1ssu n LEU 24 Ca 0.01 -1.05 0.03 0.00 -0.03 0.00 0.00 56.01 54.97 1ssu n LEU 24 Cb 0.16 -0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.65 1ssu n LEU 24 CO 0.15 0.28 0.94 0.00 -1.33 0.00 0.00 177.39 177.43 1ssu h SER 26 N 0.28 0.00 0.43 0.00 4.64 -1.87 -0.82 113.55 116.21 1ssu h SER 26 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ssu h SER 26 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1ssu h SER 26 CO 0.01 0.53 0.00 0.22 -0.87 0.00 0.00 176.83 176.73 1ssu h TYR 27 N 0.00 0.00 -0.01 4.77 3.20 -1.92 -2.61 116.97 120.40 1ssu h TYR 27 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1ssu h TYR 27 Cb 0.99 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1ssu h TYR 27 CO 0.00 0.00 -0.09 0.66 -1.64 0.00 0.00 178.16 177.09 1ssu n TYR 28 N -2.74 0.00 -3.91 -3.82 4.01 -0.74 -5.02 117.16 104.95 1ssu n TYR 28 Ca -0.01 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.42 1ssu n TYR 28 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.18 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 0.12 -3.92 -0.19 -0.72 3.00 -0.39 -4.90 117.38 110.38 1ssu n GLN 29 Ca 0.05 0.47 0.05 0.00 -0.01 0.00 0.00 57.00 57.55 1ssu n GLN 29 Cb 0.21 -5.24 0.06 0.00 0.00 0.00 0.00 30.24 25.27 1ssu n GLN 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1ssu n SER 30 N -2.61 1.37 -4.60 1.08 3.41 -1.01 -5.03 113.62 106.23 1ssu n SER 30 Ca 0.05 -2.41 -0.30 0.00 -0.26 0.00 0.00 58.87 55.95 1ssu n SER 30 Cb 0.51 -0.26 0.20 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.69 0.46 -0.09 0.00 2.02 -1.95 -2.17 112.91 110.48 1ssu h THR 33 Ca -0.44 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.55 1ssu h THR 33 Cb 1.34 0.55 -0.38 0.00 -1.74 0.00 0.00 68.15 67.92 1ssu h THR 33 CO 0.37 0.00 -1.03 -0.67 0.37 0.00 0.00 175.52 174.56 1ssu n ASP 34 N -4.02 1.18 -0.27 4.18 2.03 -1.26 -5.02 116.55 113.37 1ssu n ASP 34 Ca 0.15 -2.10 0.03 0.00 0.52 0.00 0.00 54.79 53.40 1ssu n ASP 34 Cb 0.89 -0.35 0.09 0.00 -0.72 0.00 0.00 41.12 41.03 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 0.20 0.21 0.32 -0.67 9.36 -0.82 -1.02 117.16 124.74 1ssu n TYR 35 Ca 0.07 0.91 0.07 0.00 3.32 0.00 0.00 57.90 62.27 1ssu n TYR 35 Cb 1.06 -0.90 0.33 0.00 -0.63 0.00 0.00 39.34 39.20 1ssu n TYR 35 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1ssu n THR 36 N -5.19 1.18 0.00 2.97 -1.04 -1.26 -0.82 114.28 110.13 1ssu n THR 36 Ca 0.11 0.37 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1ssu n THR 36 Cb 0.36 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 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 -1.61 1.98 0.04 2.41 0.00 -0.41 -4.68 120.51 118.24 1ssu n ALA 37 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.27 1ssu n ALA 37 Cb 0.13 0.28 -0.14 0.00 0.00 0.00 0.00 19.45 19.72 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 0.26 0.00 0.00 4.39 -0.95 -3.42 114.58 114.85 1ssu h GLU 38 Ca 0.00 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1ssu h GLU 38 Cb 0.97 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1ssu h GLU 38 CO 0.00 1.11 -0.03 0.00 -1.16 0.00 0.00 179.01 178.93 1ssu n LYS 40 N -0.97 0.02 -0.96 0.00 4.81 -0.41 -4.20 118.16 116.46 1ssu n LYS 40 Ca 0.00 0.01 -0.34 0.00 -0.87 0.00 0.00 58.31 57.11 1ssu n LYS 40 Cb 0.00 -1.52 0.11 0.00 0.02 0.00 0.00 35.03 33.64 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 7.59 -0.08 -1.80 1.64 -0.02 -1.26 -4.93 135.00 136.15 1ssu n PRO 41 Ca 0.56 0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 1ssu n PRO 41 Cb -0.03 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 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 -3.45 4.08 0.33 -0.52 -1.52 -1.26 -4.98 119.66 112.34 1ssu s GLN 42 Ca 0.61 2.39 -0.28 0.00 -1.95 0.00 0.00 55.36 56.13 1ssu s GLN 42 Cb -0.26 -4.11 -0.10 0.00 -0.22 0.00 0.00 33.01 28.32 1ssu s GLN 42 CO 0.63 -1.00 1.21 0.08 -0.25 0.00 0.00 175.29 175.96 1ssu s VAL 43 N 4.58 3.07 -0.37 1.09 1.01 -1.26 -4.80 120.40 123.71 1ssu s VAL 43 Ca 0.83 1.04 -0.05 0.00 0.00 0.00 0.00 61.98 63.80 1ssu s VAL 43 Cb -0.38 -3.65 -0.14 0.00 0.00 0.00 0.00 36.38 32.21 1ssu s VAL 43 CO 0.37 0.22 2.55 1.07 0.00 0.00 0.00 175.10 179.30 1ssu n THR 44 N 0.80 2.35 0.01 3.92 5.66 -1.26 -4.08 114.28 121.68 1ssu n THR 44 Ca 0.00 -1.27 0.04 0.00 -3.05 0.00 0.00 64.05 59.78 1ssu n THR 44 Cb 0.44 -1.98 0.44 0.00 -1.55 0.00 0.00 70.33 67.67 1ssu n THR 44 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 1ssu h ARG 45 N 4.60 0.51 0.00 1.09 1.12 -1.89 -3.47 114.38 116.34 1ssu h ARG 45 Ca 0.28 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.12 1ssu h ARG 45 Cb 0.76 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.61 1ssu h ARG 45 CO 0.72 0.34 0.00 0.41 -3.11 0.00 0.00 179.97 178.32 1ssu n GLY 46 N -1.48 1.32 0.00 2.80 0.00 -1.26 -4.94 105.19 101.64 1ssu n GLY 46 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ssu n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ssu n ASP 47 N 0.00 1.17 -3.70 1.61 5.75 -1.26 -5.03 116.55 115.09 1ssu n ASP 47 Ca 0.00 -1.59 -0.14 0.00 -0.01 0.00 0.00 54.79 53.05 1ssu n ASP 47 Cb 0.00 -0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.00 1ssu n ASP 47 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ssu s VAL 48 N -0.59 0.03 0.00 2.12 0.11 -1.26 -5.08 120.40 115.73 1ssu s VAL 48 Ca 0.00 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1ssu s VAL 48 Cb 0.00 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1ssu s VAL 48 CO 0.00 -0.12 0.00 0.33 -3.33 0.00 0.00 175.10 171.98 1ssu n PHE 49 N 1.77 -0.71 -2.05 1.54 7.35 -1.26 -2.92 117.46 121.18 1ssu n PHE 49 Ca -0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 1ssu n PHE 49 Cb 0.56 0.14 0.00 0.00 0.35 0.00 0.00 39.48 40.54 1ssu n PHE 49 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 1ssu n THR 50 N -1.68 0.00 -0.97 -2.13 5.66 -1.26 -4.71 114.28 109.19 1ssu n THR 50 Ca 0.00 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1ssu n THR 50 Cb 0.00 0.55 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 1ssu n THR 50 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25