#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 0.91 0.07 0.11 2.00 -1.26 -5.18 119.66 116.31 1ssu s GLN 2 Ca 0.00 -0.64 0.07 0.00 -2.00 0.00 0.00 55.36 52.79 1ssu s GLN 2 Cb 0.00 0.39 -0.03 0.00 0.80 0.00 0.00 33.01 34.18 1ssu s GLN 2 CO 0.00 -0.32 -0.20 -2.00 -0.50 0.00 0.00 175.29 172.27 1ssu s GLU 3 N -3.20 1.22 0.38 1.67 2.12 -1.26 -5.16 118.70 114.47 1ssu s GLU 3 Ca -0.01 -1.01 -0.13 0.00 0.36 0.00 0.00 54.97 54.19 1ssu s GLU 3 Cb 0.01 -1.38 0.05 0.00 0.26 0.00 0.00 34.13 33.07 1ssu s GLU 3 CO -0.08 0.34 0.73 -1.13 -0.54 0.00 0.00 175.26 174.58 1ssu n SER 4 N 1.53 -2.11 0.00 -1.70 3.41 -1.26 -5.05 113.62 108.44 1ssu n SER 4 Ca -0.18 -2.59 0.05 0.00 -0.26 0.00 0.00 58.87 55.89 1ssu n SER 4 Cb 0.54 3.56 0.30 0.00 -0.26 0.00 0.00 64.21 68.35 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 -2.11 2.58 0.00 0.00 2.20 -1.26 -0.48 119.74 120.67 1ssu s LYS 6 Ca 0.15 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 1ssu s LYS 6 Cb 0.07 -4.50 0.00 0.00 -1.51 0.00 0.00 37.83 31.89 1ssu s LYS 6 CO 0.13 -2.87 0.00 0.41 -0.36 0.00 0.00 175.35 172.66 1ssu n GLY 7 N 5.89 1.11 0.00 5.54 0.00 -1.26 -5.01 105.19 111.46 1ssu n GLY 7 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.61 2.30 0.00 1.61 1.74 0.37 -4.96 116.66 116.10 1ssu n ARG 8 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ssu n ARG 8 Cb 0.00 -0.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 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 -0.50 0.00 0.25 0.00 -2.24 -1.21 -4.33 114.28 106.25 1ssu n THR 10 Ca 0.00 -0.05 0.14 0.00 -2.27 0.00 0.00 64.05 61.86 1ssu n THR 10 Cb 0.00 0.47 0.68 0.00 -2.10 0.00 0.00 70.33 69.38 1ssu n THR 10 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1ssu h GLU 11 N 0.05 0.00 0.00 -0.78 4.11 -1.12 -3.49 114.58 113.36 1ssu h GLU 11 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1ssu h GLU 11 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1ssu h GLU 11 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.49 1ssu n GLY 12 N -0.89 1.82 3.62 1.06 0.00 -1.26 -5.06 105.19 104.48 1ssu n GLY 12 Ca -0.01 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.38 3.12 -0.29 1.61 5.36 -1.26 -4.67 117.98 119.46 1ssu s PHE 13 Ca 0.00 0.04 0.03 0.00 -0.96 0.00 0.00 56.93 56.04 1ssu s PHE 13 Cb 0.00 -1.86 0.20 0.00 -0.34 0.00 0.00 43.02 41.02 1ssu s PHE 13 CO 0.00 0.29 0.67 1.21 -1.46 0.00 0.00 175.22 175.92 1ssu s ASN 14 N -0.40 -1.43 0.12 6.13 2.47 -1.26 -5.07 114.94 115.50 1ssu s ASN 14 Ca 0.07 0.17 0.07 0.00 0.42 0.00 0.00 52.86 53.60 1ssu s ASN 14 Cb -0.12 1.91 0.38 0.00 -1.45 0.00 0.00 41.25 41.97 1ssu s ASN 14 CO 0.02 -0.26 1.15 0.55 -3.72 0.00 0.00 177.10 174.84 1ssu n VAL 15 N 5.37 1.37 0.36 -5.21 3.14 -1.26 -0.93 118.33 121.17 1ssu n VAL 15 Ca 0.06 0.59 0.14 0.00 -2.96 0.00 0.00 64.34 62.17 1ssu n VAL 15 Cb 0.55 -1.59 0.45 0.00 -1.06 0.00 0.00 33.84 32.18 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 -4.23 6.55 3.32 -1.97 -3.47 116.42 116.62 1ssu h ASP 16 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1ssu h ASP 16 Cb 0.19 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.85 1ssu h ASP 16 CO 0.00 0.00 0.36 -0.54 -1.72 0.00 0.00 179.24 177.34 1ssu s LYS 17 N -3.36 2.62 0.54 3.56 1.02 -0.10 -4.96 119.74 119.07 1ssu s LYS 17 Ca 0.05 1.34 0.28 0.00 0.02 0.00 0.00 55.97 57.66 1ssu s LYS 17 Cb 0.09 -1.93 1.57 0.00 -0.52 0.00 0.00 37.83 37.04 1ssu s LYS 17 CO 0.56 -1.38 2.14 0.87 -0.92 0.00 0.00 175.35 176.61 1ssu h LYS 18 N -0.30 0.00 -4.09 1.68 6.56 -1.90 -3.42 116.57 115.09 1ssu h LYS 18 Ca -0.46 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.01 1ssu h LYS 18 Cb 1.24 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 32.75 1ssu h LYS 18 CO 0.53 0.08 -0.61 0.00 -2.06 0.00 0.00 179.45 177.39 1ssu n GLN 20 N 0.30 3.71 -0.50 0.00 1.13 -1.23 -4.91 117.38 115.88 1ssu n GLN 20 Ca -0.16 -4.45 -0.09 0.00 -1.94 0.00 0.00 57.00 50.36 1ssu n GLN 20 Cb 0.60 -2.30 -0.06 0.00 0.11 0.00 0.00 30.24 28.59 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 2.90 -0.16 0.04 0.00 2.15 -1.26 -3.30 116.67 117.04 1ssu s ASP 22 Ca 0.31 -0.77 0.02 0.00 0.43 0.00 0.00 52.55 52.54 1ssu s ASP 22 Cb 0.13 0.62 0.10 0.00 -0.30 0.00 0.00 42.92 43.47 1ssu s ASP 22 CO -0.01 -1.18 0.90 -0.62 -0.17 0.00 0.00 175.17 174.09 1ssu n GLU 23 N -0.40 0.01 0.00 4.34 1.02 -1.26 -2.93 120.64 121.43 1ssu n GLU 23 Ca -0.04 0.37 0.01 0.00 -0.02 0.00 0.00 57.16 57.49 1ssu n GLU 23 Cb 0.61 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 -1.43 0.92 0.20 -4.62 4.77 -1.26 -4.82 117.00 110.77 1ssu n LEU 24 Ca -0.00 -0.85 0.06 0.00 -0.03 0.00 0.00 56.01 55.19 1ssu n LEU 24 Cb 0.18 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.69 1ssu n LEU 24 CO 0.01 0.21 0.75 0.00 -1.33 0.00 0.00 177.39 177.03 1ssu h SER 26 N 0.00 0.00 0.96 0.00 4.64 -1.87 0.73 113.55 118.01 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 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1ssu h SER 26 CO 0.04 0.10 0.00 0.22 -0.87 0.00 0.00 176.83 176.32 1ssu h TYR 27 N 0.00 0.00 0.00 4.77 3.20 -1.92 -3.31 116.97 119.71 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 0.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1ssu h TYR 27 CO 0.00 0.00 -0.71 0.66 -1.64 0.00 0.00 178.16 176.47 1ssu n TYR 28 N -2.57 0.00 -2.39 -3.82 4.01 -0.27 -5.03 117.16 107.09 1ssu n TYR 28 Ca 0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.61 1ssu n TYR 28 Cb 0.29 -0.05 -0.01 0.00 -0.31 0.00 0.00 39.34 39.26 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 -1.38 -2.03 -0.44 -0.72 3.00 0.09 -4.89 117.38 111.01 1ssu n GLN 29 Ca -0.00 0.73 0.08 0.00 -0.01 0.00 0.00 57.00 57.81 1ssu n GLN 29 Cb 0.09 -5.34 0.26 0.00 0.00 0.00 0.00 30.24 25.24 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 -1.83 3.87 -4.06 1.08 3.41 -1.25 -5.06 113.62 109.79 1ssu n SER 30 Ca -0.18 -2.87 -0.29 0.00 -0.26 0.00 0.00 58.87 55.27 1ssu n SER 30 Cb 0.63 -0.51 0.20 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.04 0.72 -0.14 0.00 2.02 -1.98 -3.24 112.91 108.26 1ssu h THR 33 Ca -0.47 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.51 1ssu h THR 33 Cb 1.29 0.86 -0.39 0.00 -1.74 0.00 0.00 68.15 68.16 1ssu h THR 33 CO 0.42 0.00 -1.06 0.47 0.37 0.00 0.00 175.52 175.72 1ssu n ASP 34 N -4.22 1.21 -0.31 4.18 8.00 -1.26 -5.00 116.55 119.14 1ssu n ASP 34 Ca 0.03 -2.04 -0.02 0.00 0.71 0.00 0.00 54.79 53.46 1ssu n ASP 34 Cb 0.34 -0.36 0.01 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.13 -0.05 0.30 1.24 9.36 -1.22 -0.65 117.16 126.26 1ssu n TYR 35 Ca 0.07 0.99 0.04 0.00 3.32 0.00 0.00 57.90 62.32 1ssu n TYR 35 Cb 1.03 -0.75 0.18 0.00 -0.63 0.00 0.00 39.34 39.17 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 -5.15 1.32 0.00 2.97 -2.24 -1.26 -0.54 114.28 109.38 1ssu n THR 36 Ca 0.07 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.18 1ssu n THR 36 Cb 0.30 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 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 -1.45 1.99 0.00 6.98 0.00 -0.19 -4.82 120.51 123.02 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 0.09 0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.09 0.29 0.00 0.00 -0.58 0.17 -4.79 120.64 113.64 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 0.49 -0.99 0.00 0.00 -0.57 0.00 0.00 31.44 30.38 1ssu n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ssu s LYS 40 N -0.01 4.22 0.95 0.00 -2.85 0.30 -4.71 119.74 117.64 1ssu s LYS 40 Ca 0.00 2.28 -0.12 0.00 -1.00 0.00 0.00 55.97 57.13 1ssu s LYS 40 Cb 0.00 -3.49 0.07 0.00 -2.06 0.00 0.00 37.83 32.35 1ssu s LYS 40 CO 0.00 -0.67 0.57 -2.30 0.10 0.00 0.00 175.35 173.05 1ssu n PRO 41 N 5.16 -0.39 -0.89 1.78 -0.02 -1.26 -4.86 135.00 134.52 1ssu n PRO 41 Ca 0.15 -0.07 -0.11 0.00 -2.02 0.00 0.00 63.50 61.46 1ssu n PRO 41 Cb 0.41 -1.98 -0.15 0.00 -0.02 0.00 0.00 33.50 31.76 1ssu n PRO 41 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ssu n GLN 42 N -2.33 1.77 -0.02 -0.52 6.02 -1.26 -3.56 117.38 117.47 1ssu n GLN 42 Ca 0.08 -0.88 0.03 0.00 -0.01 0.00 0.00 57.00 56.22 1ssu n GLN 42 Cb 0.53 -1.93 0.04 0.00 1.02 0.00 0.00 30.24 29.90 1ssu n GLN 42 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1ssu n VAL 43 N 2.54 1.21 -2.74 5.09 0.24 -1.26 -4.68 118.33 118.72 1ssu n VAL 43 Ca 0.38 -1.31 -0.02 0.00 -2.04 0.00 0.00 64.34 61.34 1ssu n VAL 43 Cb 0.81 0.31 0.09 0.00 -1.47 0.00 0.00 33.84 33.58 1ssu n VAL 43 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1ssu n THR 44 N -0.74 0.59 -4.15 3.34 -1.04 -1.23 -5.13 114.28 105.92 1ssu n THR 44 Ca 0.04 -1.96 -0.16 0.00 -2.04 0.00 0.00 64.05 59.94 1ssu n THR 44 Cb 0.37 1.11 -0.12 0.00 -1.82 0.00 0.00 70.33 69.87 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 -1.71 0.68 0.00 -2.82 3.00 -1.26 -4.99 118.95 111.84 1ssu s ARG 45 Ca 0.18 -0.78 0.00 0.00 -1.00 0.00 0.00 55.73 54.14 1ssu s ARG 45 Cb 0.39 -0.57 0.00 0.00 0.00 0.00 0.00 34.95 34.77 1ssu s ARG 45 CO -0.08 0.13 0.00 0.41 0.00 0.00 0.00 175.30 175.76 1ssu n GLY 46 N 1.59 0.02 2.53 8.12 0.00 -1.26 -5.02 105.19 111.18 1ssu n GLY 46 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 1.44 -4.06 1.61 2.03 -1.26 -5.09 116.55 111.22 1ssu n ASP 47 Ca 0.00 -2.84 -0.14 0.00 0.52 0.00 0.00 54.79 52.33 1ssu n ASP 47 Cb 0.00 -0.55 -0.12 0.00 -0.72 0.00 0.00 41.12 39.73 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 -3.05 0.62 -1.11 5.18 1.01 -1.26 -5.07 120.40 116.71 1ssu s VAL 48 Ca 0.31 -0.97 0.20 0.00 0.00 0.00 0.00 61.98 61.52 1ssu s VAL 48 Cb 0.43 -0.64 0.21 0.00 0.00 0.00 0.00 36.38 36.38 1ssu s VAL 48 CO -0.00 -0.27 1.63 0.49 0.00 0.00 0.00 175.10 176.95 1ssu n PHE 49 N 1.69 0.00 -0.78 5.22 3.72 -1.26 -4.90 117.46 121.14 1ssu n PHE 49 Ca -0.21 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.90 1ssu n PHE 49 Cb 0.55 -0.44 0.19 0.00 -0.94 0.00 0.00 39.48 38.84 1ssu n PHE 49 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1ssu s THR 50 N -2.89 2.23 0.00 4.37 -1.32 -1.26 -5.26 115.64 111.51 1ssu s THR 50 Ca 0.12 0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1ssu s THR 50 Cb 0.13 -2.24 0.00 0.00 -1.51 0.00 0.00 72.50 68.88 1ssu s THR 50 CO 0.34 -0.10 0.00 0.23 -2.21 0.00 0.00 174.62 172.89