#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 0.69 0.15 -0.67 -0.21 -1.26 -5.19 119.66 113.17 1ssu s GLN 2 Ca 0.00 -1.11 -0.02 0.00 0.02 0.00 0.00 55.36 54.25 1ssu s GLN 2 Cb 0.00 0.26 -0.04 0.00 1.00 0.00 0.00 33.01 34.23 1ssu s GLN 2 CO 0.00 -0.17 0.10 -1.21 -2.12 0.00 0.00 175.29 171.90 1ssu s GLU 3 N -3.85 1.03 0.35 2.91 2.02 -1.26 -5.19 118.70 114.71 1ssu s GLU 3 Ca 0.06 -1.46 -0.06 0.00 0.02 0.00 0.00 54.97 53.53 1ssu s GLU 3 Cb 0.07 0.27 0.02 0.00 0.10 0.00 0.00 34.13 34.59 1ssu s GLU 3 CO -0.10 -0.31 0.57 -1.13 0.02 0.00 0.00 175.26 174.30 1ssu n SER 4 N -0.15 -1.62 -0.24 -0.19 3.41 -1.26 -4.83 113.62 108.74 1ssu n SER 4 Ca -0.04 -2.73 0.30 0.00 -0.26 0.00 0.00 58.87 56.14 1ssu n SER 4 Cb 0.64 2.87 0.71 0.00 -0.26 0.00 0.00 64.21 68.18 1ssu n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ssu s LYS 6 N -5.01 4.03 -0.01 0.00 1.02 -1.26 -0.79 119.74 117.72 1ssu s LYS 6 Ca -0.05 1.88 0.00 0.00 0.02 0.00 0.00 55.97 57.81 1ssu s LYS 6 Cb 0.22 -3.97 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 1ssu s LYS 6 CO 0.79 -1.00 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 1ssu n GLY 7 N 4.25 0.41 0.00 -3.33 0.00 -1.26 -4.85 105.19 100.40 1ssu n GLY 7 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.21 1.02 -1.65 1.61 1.74 -0.36 -5.00 116.66 111.81 1ssu n ARG 8 Ca -0.00 0.00 -0.54 0.00 -0.77 0.00 0.00 57.85 56.54 1ssu n ARG 8 Cb 0.10 -0.63 -0.06 0.00 -1.02 0.00 0.00 32.46 30.84 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 3.48 -0.70 0.28 0.00 -1.04 0.06 -4.93 114.28 111.44 1ssu n THR 10 Ca 0.22 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.35 1ssu n THR 10 Cb 0.17 -2.39 0.56 0.00 -1.82 0.00 0.00 70.33 66.85 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 -1.48 -3.49 114.58 110.90 1ssu h GLU 11 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1ssu h GLU 11 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ssu h GLU 11 CO 0.47 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.96 1ssu n GLY 12 N -0.64 0.08 3.74 1.06 0.00 -1.26 -5.03 105.19 103.14 1ssu n GLY 12 Ca 0.00 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.02 3.25 -0.29 1.61 5.36 -1.26 -4.91 117.98 120.72 1ssu s PHE 13 Ca 0.00 1.31 0.02 0.00 -0.96 0.00 0.00 56.93 57.30 1ssu s PHE 13 Cb 0.00 -3.58 0.20 0.00 -0.34 0.00 0.00 43.02 39.29 1ssu s PHE 13 CO 0.00 -1.73 0.66 1.21 -1.46 0.00 0.00 175.22 173.90 1ssu s ASN 14 N 0.07 -1.41 0.00 6.13 2.47 -1.26 -5.07 114.94 115.87 1ssu s ASN 14 Ca 0.54 0.29 0.01 0.00 0.42 0.00 0.00 52.86 54.12 1ssu s ASN 14 Cb -0.37 1.95 0.07 0.00 -1.45 0.00 0.00 41.25 41.45 1ssu s ASN 14 CO 0.41 -0.26 0.96 0.55 -3.72 0.00 0.00 177.10 175.05 1ssu n VAL 15 N 5.39 1.56 0.22 -5.21 3.14 -1.26 -1.06 118.33 121.11 1ssu n VAL 15 Ca 0.04 0.39 0.10 0.00 -2.96 0.00 0.00 64.34 61.91 1ssu n VAL 15 Cb 0.54 -1.37 0.44 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 0.00 -4.01 6.55 3.58 -1.98 -3.46 116.42 117.09 1ssu h ASP 16 Ca 0.00 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.94 1ssu h ASP 16 Cb 0.02 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.14 1ssu h ASP 16 CO 0.00 0.22 0.48 -0.54 -2.88 0.00 0.00 179.24 176.52 1ssu s LYS 17 N -3.59 3.72 0.51 0.28 1.02 -0.22 -4.96 119.74 116.50 1ssu s LYS 17 Ca 0.01 1.78 0.22 0.00 0.02 0.00 0.00 55.97 58.00 1ssu s LYS 17 Cb 0.10 -2.38 1.36 0.00 -0.52 0.00 0.00 37.83 36.39 1ssu s LYS 17 CO 0.64 -0.59 2.09 -0.22 -0.92 0.00 0.00 175.35 176.35 1ssu h LYS 18 N 1.99 0.00 -4.75 1.68 1.63 -1.90 -3.40 116.57 111.82 1ssu h LYS 18 Ca -0.49 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 58.82 1ssu h LYS 18 Cb 1.25 0.00 -0.32 0.00 -0.60 0.00 0.00 32.23 32.56 1ssu h LYS 18 CO 0.60 0.11 -0.81 0.00 -3.45 0.00 0.00 179.45 175.90 1ssu n GLN 20 N 3.44 4.16 -0.60 0.00 1.13 -1.12 -4.86 117.38 119.54 1ssu n GLN 20 Ca -0.20 -3.67 -0.04 0.00 -1.94 0.00 0.00 57.00 51.15 1ssu n GLN 20 Cb 0.53 -2.75 -0.05 0.00 0.11 0.00 0.00 30.24 28.08 1ssu n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ssu s ASP 22 N 2.04 0.25 0.17 0.00 2.15 -1.26 -0.76 116.67 119.27 1ssu s ASP 22 Ca 0.21 -1.08 0.09 0.00 0.43 0.00 0.00 52.55 52.20 1ssu s ASP 22 Cb 0.10 0.32 0.51 0.00 -0.30 0.00 0.00 42.92 43.55 1ssu s ASP 22 CO 0.00 -0.76 1.22 -0.62 -0.17 0.00 0.00 175.17 174.85 1ssu n GLU 23 N -0.10 0.06 0.00 4.34 1.02 -1.26 -2.00 120.64 122.70 1ssu n GLU 23 Ca -0.07 0.51 0.06 0.00 -0.02 0.00 0.00 57.16 57.64 1ssu n GLU 23 Cb 0.63 -1.82 0.02 0.00 -0.02 0.00 0.00 31.44 30.25 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 -1.81 1.60 0.18 -4.62 4.77 -1.26 -4.77 117.00 111.09 1ssu n LEU 24 Ca -0.01 -0.87 0.03 0.00 -0.03 0.00 0.00 56.01 55.13 1ssu n LEU 24 Cb 0.13 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.60 1ssu n LEU 24 CO 0.04 0.31 0.78 0.00 -1.33 0.00 0.00 177.39 177.19 1ssu h SER 26 N 0.04 0.00 0.76 0.00 4.64 -1.86 0.12 113.55 117.25 1ssu h SER 26 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ssu h SER 26 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1ssu h SER 26 CO 0.04 0.31 0.00 0.22 -0.87 0.00 0.00 176.83 176.53 1ssu h TYR 27 N 0.00 0.00 -0.01 4.77 3.20 -1.91 -2.94 116.97 120.08 1ssu h TYR 27 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1ssu h TYR 27 Cb 0.71 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1ssu h TYR 27 CO 0.00 0.00 -0.38 0.66 -1.64 0.00 0.00 178.16 176.80 1ssu n TYR 28 N -2.98 0.00 -3.56 -3.82 4.01 -0.44 -5.02 117.16 105.35 1ssu n TYR 28 Ca -0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 1ssu n TYR 28 Cb 0.24 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.28 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 -0.54 -4.14 -0.17 -0.72 3.00 -0.10 -4.90 117.38 109.81 1ssu n GLN 29 Ca 0.05 0.55 0.05 0.00 -0.01 0.00 0.00 57.00 57.63 1ssu n GLN 29 Cb 0.25 -5.33 0.07 0.00 0.00 0.00 0.00 30.24 25.23 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 -2.50 1.45 -4.41 1.08 3.41 -1.13 -5.03 113.62 106.48 1ssu n SER 30 Ca 0.00 -2.43 -0.28 0.00 -0.26 0.00 0.00 58.87 55.90 1ssu n SER 30 Cb 0.54 -0.26 0.26 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.16 0.39 0.00 0.00 2.02 -1.94 -1.43 112.91 111.79 1ssu h THR 33 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1ssu h THR 33 Cb 1.38 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1ssu h THR 33 CO 0.42 0.00 -0.22 0.47 0.37 0.00 0.00 175.52 176.56 1ssu n ASP 34 N -3.87 1.16 -0.24 4.18 8.00 -1.26 -4.97 116.55 119.54 1ssu n ASP 34 Ca 0.14 -2.44 -0.05 0.00 0.71 0.00 0.00 54.79 53.15 1ssu n ASP 34 Cb 0.86 -0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 41.64 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 -0.67 -0.21 0.34 1.24 9.36 -0.54 -0.77 117.16 125.90 1ssu n TYR 35 Ca 0.07 0.74 0.04 0.00 3.32 0.00 0.00 57.90 62.07 1ssu n TYR 35 Cb 0.64 -0.58 0.20 0.00 -0.63 0.00 0.00 39.34 38.97 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 -4.76 1.28 0.00 2.97 -1.04 -1.26 -0.40 114.28 111.07 1ssu n THR 36 Ca 0.02 0.32 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 1ssu n THR 36 Cb 0.17 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 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 -1.47 1.98 0.00 2.41 0.00 -0.41 -4.75 120.51 118.27 1ssu n ALA 37 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1ssu n ALA 37 Cb 0.10 0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.86 0.92 0.00 0.00 -0.58 0.05 -4.77 120.64 114.40 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 0.38 -0.93 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 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 -0.93 0.62 -1.06 0.00 4.81 0.47 -4.88 118.16 117.18 1ssu n LYS 40 Ca 0.00 0.15 -0.15 0.00 -0.87 0.00 0.00 58.31 57.45 1ssu n LYS 40 Cb 0.00 -2.10 0.10 0.00 0.02 0.00 0.00 35.03 33.05 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 8.04 -0.54 -3.23 1.64 -0.04 -1.26 -4.73 135.00 134.89 1ssu n PRO 41 Ca 0.48 -1.10 -0.10 0.00 -0.04 0.00 0.00 63.50 62.74 1ssu n PRO 41 Cb 0.14 -0.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 1ssu n PRO 41 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ssu n GLN 42 N -2.37 -0.58 -1.56 0.54 6.02 -1.26 -4.74 117.38 113.42 1ssu n GLN 42 Ca 0.08 0.02 -0.51 0.00 -0.01 0.00 0.00 57.00 56.59 1ssu n GLN 42 Cb 0.30 -0.47 -0.05 0.00 1.02 0.00 0.00 30.24 31.04 1ssu n GLN 42 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1ssu n VAL 43 N -1.52 0.66 -1.29 5.09 3.14 -1.26 -4.66 118.33 118.50 1ssu n VAL 43 Ca -0.08 -0.17 -0.37 0.00 -2.96 0.00 0.00 64.34 60.77 1ssu n VAL 43 Cb 0.20 -0.69 -0.02 0.00 -1.06 0.00 0.00 33.84 32.26 1ssu n VAL 43 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1ssu n THR 44 N 1.63 3.37 -0.34 1.55 -2.24 -1.26 -4.49 114.28 112.51 1ssu n THR 44 Ca 0.16 -2.34 0.16 0.00 -2.27 0.00 0.00 64.05 59.76 1ssu n THR 44 Cb 0.22 -2.48 0.38 0.00 -2.10 0.00 0.00 70.33 66.34 1ssu n THR 44 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1ssu h ARG 45 N 5.92 0.63 0.00 -0.78 2.43 -1.83 -3.46 114.38 117.29 1ssu h ARG 45 Ca 0.66 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.79 1ssu h ARG 45 Cb 0.40 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1ssu h ARG 45 CO 1.77 0.42 0.00 0.41 -1.51 0.00 0.00 179.97 181.06 1ssu n GLY 46 N -1.36 1.38 0.12 2.80 0.00 -1.26 -4.90 105.19 101.97 1ssu n GLY 46 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.27 1ssu n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ssu n ASP 47 N 0.00 0.89 -3.80 1.61 2.03 -1.26 -5.02 116.55 110.99 1ssu n ASP 47 Ca 0.00 -1.79 -0.14 0.00 0.52 0.00 0.00 54.79 53.38 1ssu n ASP 47 Cb 0.00 -0.11 -0.15 0.00 -0.72 0.00 0.00 41.12 40.14 1ssu n ASP 47 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ssu s VAL 48 N -0.70 -0.04 0.00 5.18 1.01 -1.26 -5.04 120.40 119.55 1ssu s VAL 48 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1ssu s VAL 48 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.35 1ssu s VAL 48 CO 0.00 0.05 0.00 2.22 0.00 0.00 0.00 175.10 177.38 1ssu n PHE 49 N 3.76 0.00 -3.78 5.22 -1.74 -1.26 -2.60 117.46 117.06 1ssu n PHE 49 Ca -0.22 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.54 1ssu n PHE 49 Cb 0.54 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.39 1ssu n PHE 49 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1ssu s THR 50 N -0.89 -0.04 0.00 1.97 2.01 -1.26 -4.89 115.64 112.54 1ssu s THR 50 Ca 0.00 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.14 1ssu s THR 50 Cb 0.00 -0.16 0.00 0.00 0.01 0.00 0.00 72.50 72.35 1ssu s THR 50 CO 0.00 0.06 0.00 0.23 -0.69 0.00 0.00 174.62 174.22