#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 1.56 -1.18 -1.24 0.00 -1.26 -4.94 119.66 112.60 1ssu s GLN 2 Ca 0.00 0.91 -0.22 0.00 -0.00 0.00 0.00 55.36 56.05 1ssu s GLN 2 Cb 0.00 -1.84 -0.08 0.00 0.00 0.00 0.00 33.01 31.10 1ssu s GLN 2 CO 0.00 -2.06 1.91 0.39 0.00 0.00 0.00 175.29 175.54 1ssu n GLU 3 N -3.77 1.78 -1.23 9.60 4.71 -1.26 -4.97 120.64 125.50 1ssu n GLU 3 Ca 0.08 -2.52 -0.31 0.00 -0.01 0.00 0.00 57.16 54.40 1ssu n GLU 3 Cb 0.55 -3.65 0.11 0.00 -1.01 0.00 0.00 31.44 27.43 1ssu n GLU 3 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1ssu s SER 4 N 6.09 4.20 0.00 1.62 0.15 -1.26 -4.59 113.70 119.91 1ssu s SER 4 Ca 0.66 1.75 0.00 0.00 0.70 0.00 0.00 55.95 59.06 1ssu s SER 4 Cb 0.01 -2.43 -0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1ssu s SER 4 CO 0.13 -2.22 0.22 0.00 1.20 0.00 0.00 173.24 172.57 1ssu s LYS 6 N -0.58 2.56 0.00 0.00 1.02 -1.25 -0.39 119.74 121.09 1ssu s LYS 6 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.75 1ssu s LYS 6 Cb 0.00 -5.02 0.00 0.00 -0.52 0.00 0.00 37.83 32.29 1ssu s LYS 6 CO 0.00 -3.35 0.00 0.41 -0.92 0.00 0.00 175.35 171.50 1ssu n GLY 7 N 6.79 0.08 0.00 -3.33 0.00 -1.26 -5.03 105.19 102.44 1ssu n GLY 7 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 1.12 -1.50 1.61 1.74 0.48 -5.13 116.66 114.97 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 -0.65 0.01 0.00 -1.02 0.00 0.00 32.46 30.81 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 -0.89 -0.25 0.30 0.00 -1.04 -0.17 -4.94 114.28 107.29 1ssu n THR 10 Ca 0.11 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.31 1ssu n THR 10 Cb 0.41 -1.67 0.92 0.00 -1.82 0.00 0.00 70.33 68.16 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 0.00 0.00 0.00 -2.82 4.11 -1.64 -3.49 114.58 110.74 1ssu h GLU 11 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1ssu h GLU 11 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1ssu h GLU 11 CO 0.38 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.87 1ssu n GLY 12 N -0.73 3.02 3.74 1.06 0.00 -1.26 -5.08 105.19 105.94 1ssu n GLY 12 Ca -0.01 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.59 3.28 -0.46 1.61 5.36 -1.26 -4.77 117.98 119.14 1ssu s PHE 13 Ca 0.00 1.29 0.06 0.00 -0.96 0.00 0.00 56.93 57.32 1ssu s PHE 13 Cb 0.00 -3.57 0.19 0.00 -0.34 0.00 0.00 43.02 39.30 1ssu s PHE 13 CO 0.00 -1.73 0.71 1.21 -1.46 0.00 0.00 175.22 173.95 1ssu s ASN 14 N 0.19 -1.42 0.14 6.13 3.84 -1.26 -5.07 114.94 117.50 1ssu s ASN 14 Ca 0.55 -1.23 0.09 0.00 0.21 0.00 0.00 52.86 52.48 1ssu s ASN 14 Cb -0.36 1.83 0.49 0.00 -0.55 0.00 0.00 41.25 42.67 1ssu s ASN 14 CO 0.39 -0.10 1.25 0.55 -2.79 0.00 0.00 177.10 176.41 1ssu n VAL 15 N 3.59 1.47 0.26 -5.21 3.14 -1.26 -1.31 118.33 119.02 1ssu n VAL 15 Ca 0.14 0.61 0.14 0.00 -2.96 0.00 0.00 64.34 62.27 1ssu n VAL 15 Cb 0.57 -1.61 0.68 0.00 -1.06 0.00 0.00 33.84 32.42 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 -3.00 6.55 3.58 -1.97 -3.47 116.42 118.11 1ssu h ASP 16 Ca 0.00 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.95 1ssu h ASP 16 Cb 0.08 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 1ssu h ASP 16 CO 0.00 0.11 -0.18 -0.54 -2.88 0.00 0.00 179.24 175.76 1ssu s LYS 17 N -3.89 3.55 0.62 0.28 -0.14 -0.43 -5.01 119.74 114.72 1ssu s LYS 17 Ca -0.01 -0.18 0.37 0.00 -1.36 0.00 0.00 55.97 54.79 1ssu s LYS 17 Cb 0.11 -2.67 2.05 0.00 -1.68 0.00 0.00 37.83 35.65 1ssu s LYS 17 CO 0.58 0.19 2.27 0.87 -0.76 0.00 0.00 175.35 178.50 1ssu h LYS 18 N 1.24 0.00 -4.08 1.68 6.56 -1.91 -3.40 116.57 116.66 1ssu h LYS 18 Ca -0.49 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 58.86 1ssu h LYS 18 Cb 1.20 0.00 -0.25 0.00 -0.57 0.00 0.00 32.23 32.61 1ssu h LYS 18 CO 0.64 0.02 -0.73 0.00 -2.06 0.00 0.00 179.45 177.32 1ssu n GLN 20 N 2.43 4.24 -0.61 0.00 1.13 -0.49 -4.89 117.38 119.19 1ssu n GLN 20 Ca -0.17 -4.29 -0.06 0.00 -1.94 0.00 0.00 57.00 50.54 1ssu n GLN 20 Cb 0.57 -2.62 -0.08 0.00 0.11 0.00 0.00 30.24 28.22 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 2.33 -1.57 0.28 0.00 5.68 -1.26 -1.00 116.55 121.01 1ssu n ASP 22 Ca 0.21 -2.82 0.19 0.00 -0.50 0.00 0.00 54.79 51.87 1ssu n ASP 22 Cb 0.57 2.83 0.91 0.00 -1.14 0.00 0.00 41.12 44.29 1ssu n ASP 22 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1ssu h GLU 23 N 0.00 0.00 -0.15 0.11 5.08 -1.93 -3.19 114.58 114.49 1ssu h GLU 23 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1ssu h GLU 23 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1ssu h GLU 23 CO 0.38 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.67 1ssu n LEU 24 N -2.93 2.34 -0.21 1.33 4.77 -1.26 -4.79 117.00 116.25 1ssu n LEU 24 Ca -0.01 -1.41 0.01 0.00 -0.03 0.00 0.00 56.01 54.57 1ssu n LEU 24 Cb 0.16 -0.10 0.26 0.00 -2.33 0.00 0.00 43.42 41.42 1ssu n LEU 24 CO 0.21 0.52 1.24 0.00 -1.33 0.00 0.00 177.39 178.03 1ssu h SER 26 N 0.99 0.00 0.31 0.00 4.64 -1.87 -1.36 113.55 116.26 1ssu h SER 26 Ca 0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1ssu h SER 26 Cb -0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1ssu h SER 26 CO -0.06 0.70 -0.03 0.22 -0.87 0.00 0.00 176.83 176.79 1ssu h TYR 27 N 0.00 0.00 -0.09 4.77 3.20 -1.91 -2.22 116.97 120.73 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 1.32 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.59 1ssu h TYR 27 CO 0.00 0.03 0.00 0.66 -1.64 0.00 0.00 178.16 177.21 1ssu n TYR 28 N -3.31 0.09 -3.68 -3.82 4.01 -1.00 -5.00 117.16 104.44 1ssu n TYR 28 Ca -0.02 -0.08 -0.27 0.00 -0.16 0.00 0.00 57.90 57.37 1ssu n TYR 28 Cb 0.16 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.17 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 0.81 -3.06 -0.22 -0.72 3.00 -0.63 -4.87 117.38 111.69 1ssu n GLN 29 Ca 0.09 0.38 0.07 0.00 -0.01 0.00 0.00 57.00 57.53 1ssu n GLN 29 Cb 0.38 -5.07 0.10 0.00 0.00 0.00 0.00 30.24 25.65 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 -2.36 1.65 -4.39 1.08 7.64 -0.61 -5.01 113.62 111.62 1ssu n SER 30 Ca 0.03 -2.78 -0.32 0.00 1.01 0.00 0.00 58.87 56.81 1ssu n SER 30 Cb 0.51 -0.36 0.16 0.00 -1.01 0.00 0.00 64.21 63.51 1ssu n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ssu h THR 33 N -0.65 0.40 -0.34 0.00 1.35 -1.92 -2.21 112.91 109.55 1ssu h THR 33 Ca -0.45 0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 65.18 1ssu h THR 33 Cb 1.33 0.67 -0.38 0.00 -1.73 0.00 0.00 68.15 68.05 1ssu h THR 33 CO 0.41 0.00 -1.05 -0.67 -0.25 0.00 0.00 175.52 173.96 1ssu n ASP 34 N -3.75 1.27 -0.26 5.36 2.03 -1.26 -5.00 116.55 114.94 1ssu n ASP 34 Ca 0.07 -2.03 0.03 0.00 0.52 0.00 0.00 54.79 53.38 1ssu n ASP 34 Cb 0.58 -0.37 0.08 0.00 -0.72 0.00 0.00 41.12 40.69 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 -0.49 0.20 0.35 -0.67 4.19 -0.83 -0.86 117.16 119.05 1ssu n TYR 35 Ca 0.05 0.88 0.08 0.00 3.31 0.00 0.00 57.90 62.22 1ssu n TYR 35 Cb 0.85 -0.88 0.36 0.00 0.49 0.00 0.00 39.34 40.16 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 -5.14 1.09 0.00 2.97 -1.04 -1.26 -0.62 114.28 110.29 1ssu n THR 36 Ca 0.10 0.33 0.00 0.00 -2.04 0.00 0.00 64.05 62.45 1ssu n THR 36 Cb 0.34 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 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 -1.62 1.73 0.00 2.41 0.00 -0.31 -4.67 120.51 118.04 1ssu n ALA 37 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ssu n ALA 37 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.12 0.37 0.00 0.00 -0.58 -0.04 -4.80 120.64 114.47 1ssu n GLU 38 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ssu n GLU 38 Cb 0.00 -0.97 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 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 -1.00 0.87 -1.63 0.00 4.81 0.21 -4.88 118.16 116.55 1ssu n LYS 40 Ca 0.00 0.28 -0.50 0.00 -0.87 0.00 0.00 58.31 57.22 1ssu n LYS 40 Cb 0.00 -2.12 -0.05 0.00 0.02 0.00 0.00 35.03 32.88 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 6.92 1.57 -2.30 1.64 -0.02 -1.26 -4.97 135.00 136.59 1ssu n PRO 41 Ca 0.38 0.57 -0.40 0.00 -2.02 0.00 0.00 63.50 62.03 1ssu n PRO 41 Cb 0.13 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 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 0.74 4.48 0.11 -0.52 -0.21 -1.26 -5.05 119.66 117.94 1ssu s GLN 42 Ca 0.82 2.00 -0.05 0.00 0.02 0.00 0.00 55.36 58.15 1ssu s GLN 42 Cb -0.84 -3.10 -0.02 0.00 1.00 0.00 0.00 33.01 30.04 1ssu s GLN 42 CO 0.43 -0.00 0.12 0.14 -2.12 0.00 0.00 175.29 173.86 1ssu s VAL 43 N -1.17 0.13 0.05 1.09 -7.23 -1.26 -5.13 120.40 106.89 1ssu s VAL 43 Ca 0.47 -1.56 -0.33 0.00 -1.81 0.00 0.00 61.98 58.75 1ssu s VAL 43 Cb -0.36 -1.67 -0.12 0.00 0.56 0.00 0.00 36.38 34.80 1ssu s VAL 43 CO 0.46 -0.61 1.80 0.41 -0.31 0.00 0.00 175.10 176.86 1ssu n THR 44 N -0.06 0.39 -3.78 5.32 -1.04 -1.26 -4.98 114.28 108.86 1ssu n THR 44 Ca -0.11 -0.07 -0.10 0.00 -2.04 0.00 0.00 64.05 61.74 1ssu n THR 44 Cb 0.62 -1.91 -0.05 0.00 -1.82 0.00 0.00 70.33 67.17 1ssu n THR 44 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1ssu s ARG 45 N 2.89 1.29 -0.09 -2.82 6.06 -1.26 -5.05 118.95 119.98 1ssu s ARG 45 Ca 0.85 -0.92 0.10 0.00 -2.50 0.00 0.00 55.73 53.26 1ssu s ARG 45 Cb -0.60 0.48 0.44 0.00 0.06 0.00 0.00 34.95 35.33 1ssu s ARG 45 CO 0.43 -0.53 1.24 0.41 -2.50 0.00 0.00 175.30 174.35 1ssu n GLY 46 N -0.30 1.90 3.54 8.12 0.00 -1.26 -4.92 105.19 112.27 1ssu n GLY 46 Ca -0.10 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.62 0.77 0.11 1.61 2.15 -1.26 -5.20 116.67 114.23 1ssu s ASP 47 Ca 0.30 -1.43 0.09 0.00 0.43 0.00 0.00 52.55 51.95 1ssu s ASP 47 Cb 0.21 0.69 -0.04 0.00 -0.30 0.00 0.00 42.92 43.49 1ssu s ASP 47 CO 0.12 -1.36 -0.24 0.68 -0.17 0.00 0.00 175.17 174.21 1ssu s VAL 48 N -2.94 1.95 -0.15 1.11 -7.23 -1.26 -5.09 120.40 106.79 1ssu s VAL 48 Ca 0.28 -1.62 -0.08 0.00 -1.81 0.00 0.00 61.98 58.75 1ssu s VAL 48 Cb -0.01 -1.75 0.05 0.00 0.56 0.00 0.00 36.38 35.24 1ssu s VAL 48 CO 0.19 0.02 0.36 0.12 -0.31 0.00 0.00 175.10 175.48 1ssu s PHE 49 N -1.10 -0.51 0.18 2.82 5.36 -1.26 -5.18 117.98 118.28 1ssu s PHE 49 Ca 0.10 1.12 -0.05 0.00 -0.96 0.00 0.00 56.93 57.14 1ssu s PHE 49 Cb -0.10 0.20 -0.02 0.00 -0.34 0.00 0.00 43.02 42.75 1ssu s PHE 49 CO 0.05 -0.31 0.21 0.95 -1.46 0.00 0.00 175.22 174.66 1ssu s THR 50 N 1.36 0.05 -1.77 0.12 -4.23 -1.26 -5.00 115.64 104.92 1ssu s THR 50 Ca -0.09 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1ssu s THR 50 Cb -0.09 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.65 1ssu s THR 50 CO -0.11 -0.23 0.44 0.23 -0.54 0.00 0.00 174.62 174.41