#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 0.66 0.17 -1.24 0.74 -1.26 -5.15 119.66 113.58 1ssu s GLN 2 Ca 0.00 -0.10 -0.30 0.00 0.05 0.00 0.00 55.36 55.01 1ssu s GLN 2 Cb 0.00 0.30 -0.08 0.00 1.10 0.00 0.00 33.01 34.32 1ssu s GLN 2 CO 0.00 -0.18 1.33 -1.21 -0.55 0.00 0.00 175.29 174.68 1ssu s GLU 3 N -1.16 4.37 0.02 1.67 0.41 -1.26 -5.04 118.70 117.71 1ssu s GLU 3 Ca -0.12 2.05 -0.12 0.00 -0.41 0.00 0.00 54.97 56.38 1ssu s GLU 3 Cb -0.05 -3.21 0.01 0.00 -1.78 0.00 0.00 34.13 29.10 1ssu s GLU 3 CO 0.04 -0.30 0.24 0.45 -0.49 0.00 0.00 175.26 175.20 1ssu s SER 4 N 0.55 -0.07 -0.07 -0.19 0.15 -1.26 -4.91 113.70 107.90 1ssu s SER 4 Ca 0.59 -0.18 0.05 0.00 0.70 0.00 0.00 55.95 57.11 1ssu s SER 4 Cb -0.36 0.30 0.28 0.00 -1.71 0.00 0.00 66.02 64.52 1ssu s SER 4 CO 0.36 -0.51 0.98 0.00 1.20 0.00 0.00 173.24 175.26 1ssu s LYS 6 N -1.62 2.60 0.00 0.00 -0.14 -1.26 -1.34 119.74 117.98 1ssu s LYS 6 Ca 0.19 0.37 0.00 0.00 -1.36 0.00 0.00 55.97 55.17 1ssu s LYS 6 Cb 0.14 -4.57 0.00 0.00 -1.68 0.00 0.00 37.83 31.72 1ssu s LYS 6 CO 0.07 -2.91 0.00 0.41 -0.76 0.00 0.00 175.35 172.15 1ssu n GLY 7 N 6.01 0.58 0.00 -3.33 0.00 -1.26 -4.99 105.19 102.20 1ssu n GLY 7 Ca 0.26 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.91 2.81 0.00 1.61 1.74 -0.45 -4.95 116.66 115.51 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 0.20 -0.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 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 0.03 0.00 0.23 0.00 -2.24 -1.25 -4.16 114.28 106.89 1ssu n THR 10 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1ssu n THR 10 Cb 0.00 0.64 0.65 0.00 -2.10 0.00 0.00 70.33 69.52 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 0.00 0.00 0.00 -0.78 4.11 -1.12 -3.48 114.58 113.31 1ssu h GLU 11 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ssu h GLU 11 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 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 -1.00 0.68 3.74 1.06 0.00 -1.26 -5.04 105.19 103.36 1ssu n GLY 12 Ca -0.01 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.72 3.43 -0.30 1.61 5.36 -1.26 -4.94 117.98 120.15 1ssu s PHE 13 Ca 0.00 1.41 0.05 0.00 -0.96 0.00 0.00 56.93 57.43 1ssu s PHE 13 Cb 0.00 -3.43 0.19 0.00 -0.34 0.00 0.00 43.02 39.44 1ssu s PHE 13 CO 0.00 -1.23 0.56 1.21 -1.46 0.00 0.00 175.22 174.30 1ssu s ASN 14 N 0.21 -1.24 0.19 6.13 2.47 -1.26 -5.07 114.94 116.37 1ssu s ASN 14 Ca 0.53 -0.00 0.12 0.00 0.42 0.00 0.00 52.86 53.93 1ssu s ASN 14 Cb -0.32 1.85 0.65 0.00 -1.45 0.00 0.00 41.25 41.98 1ssu s ASN 14 CO 0.36 -0.30 1.34 0.55 -3.72 0.00 0.00 177.10 175.33 1ssu n VAL 15 N 5.32 1.32 0.34 -5.21 3.14 -1.26 -1.12 118.33 120.86 1ssu n VAL 15 Ca 0.05 0.64 0.14 0.00 -2.96 0.00 0.00 64.34 62.21 1ssu n VAL 15 Cb 0.53 -1.64 0.47 0.00 -1.06 0.00 0.00 33.84 32.14 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 -4.15 6.55 3.58 -1.97 -3.47 116.42 116.96 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 0.09 0.00 0.09 0.00 1.72 0.00 0.00 39.33 41.24 1ssu h ASP 16 CO 0.00 0.00 0.40 -0.54 -2.88 0.00 0.00 179.24 176.22 1ssu s LYS 17 N -3.39 3.02 0.56 0.28 1.02 -0.28 -4.95 119.74 115.99 1ssu s LYS 17 Ca 0.05 1.52 0.31 0.00 0.02 0.00 0.00 55.97 57.87 1ssu s LYS 17 Cb 0.09 -1.97 1.64 0.00 -0.52 0.00 0.00 37.83 37.07 1ssu s LYS 17 CO 0.55 -1.10 2.14 0.87 -0.92 0.00 0.00 175.35 176.89 1ssu h LYS 18 N 0.56 0.00 -4.43 1.68 6.56 -1.91 -3.42 116.57 115.61 1ssu h LYS 18 Ca -0.48 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 58.92 1ssu h LYS 18 Cb 1.26 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 32.76 1ssu h LYS 18 CO 0.55 0.07 -0.69 0.00 -2.06 0.00 0.00 179.45 177.32 1ssu n GLN 20 N 0.26 3.79 -0.65 0.00 1.13 -1.15 -4.91 117.38 115.86 1ssu n GLN 20 Ca -0.15 -4.71 -0.08 0.00 -1.94 0.00 0.00 57.00 50.13 1ssu n GLN 20 Cb 0.60 -2.35 -0.11 0.00 0.11 0.00 0.00 30.24 28.49 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 2.36 -0.03 0.62 0.00 2.15 -1.26 -3.82 116.67 116.69 1ssu s ASP 22 Ca 0.43 -0.86 0.33 0.00 0.43 0.00 0.00 52.55 52.88 1ssu s ASP 22 Cb 0.21 0.49 1.90 0.00 -0.30 0.00 0.00 42.92 45.22 1ssu s ASP 22 CO -0.00 -0.97 2.19 -0.33 -0.17 0.00 0.00 175.17 175.88 1ssu h GLU 23 N 2.43 0.00 -0.06 4.34 5.08 -1.88 -3.00 114.58 121.49 1ssu h GLU 23 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1ssu h GLU 23 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ssu h GLU 23 CO 0.44 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.73 1ssu n LEU 24 N -3.51 2.90 0.32 1.33 4.77 -1.26 -4.71 117.00 116.84 1ssu n LEU 24 Ca -0.01 -0.99 0.20 0.00 -0.03 0.00 0.00 56.01 55.18 1ssu n LEU 24 Cb 0.21 -0.02 1.09 0.00 -2.33 0.00 0.00 43.42 42.37 1ssu n LEU 24 CO 0.24 0.50 1.17 0.00 -1.33 0.00 0.00 177.39 177.96 1ssu h SER 26 N 0.00 0.00 0.54 0.00 0.87 -1.88 -1.34 113.55 111.73 1ssu h SER 26 Ca 0.01 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 1ssu h SER 26 Cb 0.14 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1ssu h SER 26 CO -0.00 0.50 -0.42 0.22 -0.53 0.00 0.00 176.83 176.60 1ssu h TYR 27 N 0.00 0.00 0.00 2.24 3.20 -1.60 -3.20 116.97 117.61 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 1.20 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.47 1ssu h TYR 27 CO 0.00 0.42 -0.01 2.48 -1.64 0.00 0.00 178.16 179.41 1ssu n TYR 28 N -3.87 0.00 -4.16 -3.82 0.18 -1.24 -5.05 117.16 99.20 1ssu n TYR 28 Ca -0.01 -0.68 -0.32 0.00 1.88 0.00 0.00 57.90 58.77 1ssu n TYR 28 Cb 0.47 -0.09 -0.04 0.00 -0.38 0.00 0.00 39.34 39.31 1ssu n TYR 28 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 1ssu n GLN 29 N -0.85 -2.76 -0.76 -3.48 3.00 -0.53 -4.89 117.38 107.10 1ssu n GLN 29 Ca 0.06 0.33 0.05 0.00 -0.01 0.00 0.00 57.00 57.43 1ssu n GLN 29 Cb 0.42 -4.67 0.08 0.00 0.00 0.00 0.00 30.24 26.07 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 -2.79 1.15 -4.42 1.08 7.64 -1.02 -5.04 113.62 110.21 1ssu n SER 30 Ca -0.12 -2.63 -0.32 0.00 1.01 0.00 0.00 58.87 56.81 1ssu n SER 30 Cb 0.59 -0.35 0.16 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.14 0.00 0.00 0.00 1.35 -1.94 -2.06 112.91 110.40 1ssu h THR 33 Ca -0.47 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1ssu h THR 33 Cb 1.36 0.49 -0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1ssu h THR 33 CO 0.48 0.00 -0.28 0.47 -0.25 0.00 0.00 175.52 175.94 1ssu n ASP 34 N -2.28 1.04 -0.35 5.36 8.00 -1.26 -4.98 116.55 122.08 1ssu n ASP 34 Ca -0.01 -2.48 0.02 0.00 0.71 0.00 0.00 54.79 53.02 1ssu n ASP 34 Cb 0.07 -0.30 0.08 0.00 -0.02 0.00 0.00 41.12 40.94 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 -0.63 0.15 0.57 1.24 4.19 -0.78 -0.44 117.16 121.47 1ssu n TYR 35 Ca 0.07 1.13 0.06 0.00 3.31 0.00 0.00 57.90 62.48 1ssu n TYR 35 Cb 0.68 -0.92 0.31 0.00 0.49 0.00 0.00 39.34 39.89 1ssu n TYR 35 CO 0.00 0.00 0.00 0.25 0.91 0.00 0.00 176.86 178.02 1ssu n THR 36 N -5.42 0.75 0.00 2.97 -2.24 -1.26 -0.44 114.28 108.64 1ssu n THR 36 Ca 0.12 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 1ssu n THR 36 Cb 0.41 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 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 -1.33 1.99 0.00 6.98 0.00 -0.03 -4.83 120.51 123.29 1ssu n ALA 37 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ssu n ALA 37 Cb 0.11 0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.08 1.10 0.00 0.00 -0.58 0.42 -4.81 120.64 114.69 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 -0.91 0.00 0.00 -0.57 0.00 0.00 31.44 30.45 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 0.82 -1.37 0.00 2.85 0.41 -4.79 118.16 115.08 1ssu n LYS 40 Ca 0.00 0.23 -0.27 0.00 -1.05 0.00 0.00 58.31 57.22 1ssu n LYS 40 Cb 0.00 -2.18 0.21 0.00 -0.65 0.00 0.00 35.03 32.41 1ssu n LYS 40 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1ssu n PRO 41 N 7.70 -2.01 -1.12 -1.58 -0.04 -1.26 -4.91 135.00 131.78 1ssu n PRO 41 Ca 0.43 -1.74 -0.40 0.00 -0.04 0.00 0.00 63.50 61.75 1ssu n PRO 41 Cb 0.15 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.20 1ssu n PRO 41 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1ssu n GLN 42 N -4.03 1.71 -0.33 0.54 7.27 -1.26 -4.81 117.38 116.47 1ssu n GLN 42 Ca 0.15 -1.83 0.00 0.00 0.07 0.00 0.00 57.00 55.38 1ssu n GLN 42 Cb 0.53 -2.86 0.00 0.00 2.41 0.00 0.00 30.24 30.32 1ssu n GLN 42 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 1ssu n VAL 43 N 5.61 1.37 -0.62 1.69 0.24 -1.26 -4.89 118.33 120.47 1ssu n VAL 43 Ca 0.49 -0.33 -0.02 0.00 -2.04 0.00 0.00 64.34 62.44 1ssu n VAL 43 Cb 0.35 -1.32 0.01 0.00 -1.47 0.00 0.00 33.84 31.41 1ssu n VAL 43 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1ssu n THR 44 N 1.58 0.00 -0.34 3.34 -2.24 -1.26 -4.92 114.28 110.44 1ssu n THR 44 Ca 0.00 -0.03 0.32 0.00 -2.27 0.00 0.00 64.05 62.07 1ssu n THR 44 Cb 0.35 -1.19 0.67 0.00 -2.10 0.00 0.00 70.33 68.07 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 0.00 0.13 0.00 -0.78 2.43 -1.99 -3.46 114.38 110.71 1ssu h ARG 45 Ca -0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ssu h ARG 45 Cb 0.06 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1ssu h ARG 45 CO 0.01 0.08 0.00 0.41 -1.51 0.00 0.00 179.97 178.97 1ssu n GLY 46 N -1.66 0.55 0.00 2.80 0.00 -1.26 -4.94 105.19 100.67 1ssu n GLY 46 Ca 0.27 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 0.52 0.00 -4.07 1.61 2.03 -1.26 -4.81 116.55 110.56 1ssu n ASP 47 Ca 0.00 -1.27 -0.09 0.00 0.52 0.00 0.00 54.79 53.94 1ssu n ASP 47 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 1ssu n ASP 47 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1ssu s VAL 48 N -2.00 0.09 0.00 5.18 -7.23 -1.26 -5.11 120.40 110.08 1ssu s VAL 48 Ca 0.25 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1ssu s VAL 48 Cb 0.12 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 35.12 1ssu s VAL 48 CO 0.19 -0.43 0.00 0.33 -0.31 0.00 0.00 175.10 174.88 1ssu n PHE 49 N -0.13 0.00 -2.25 2.82 7.35 -1.26 -5.07 117.46 118.92 1ssu n PHE 49 Ca -0.07 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.27 1ssu n PHE 49 Cb 0.63 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.46 1ssu n PHE 49 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1ssu s THR 50 N -1.08 3.22 0.00 -2.13 -4.23 -1.26 -5.22 115.64 104.95 1ssu s THR 50 Ca 0.00 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 1ssu s THR 50 Cb 0.00 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.55 1ssu s THR 50 CO 0.00 -0.18 0.00 0.80 -0.54 0.00 0.00 174.62 174.70