#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 1.37 -0.05 -1.24 -1.52 -1.26 -5.19 119.66 111.78 1ssu s GLN 2 Ca 0.00 -1.75 -0.05 0.00 -1.95 0.00 0.00 55.36 51.61 1ssu s GLN 2 Cb 0.00 0.22 0.01 0.00 -0.22 0.00 0.00 33.01 33.03 1ssu s GLN 2 CO 0.00 -0.45 0.13 -2.00 -0.25 0.00 0.00 175.29 172.72 1ssu s GLU 3 N -3.96 0.16 0.54 2.91 2.12 -1.26 -5.16 118.70 114.05 1ssu s GLU 3 Ca 0.39 0.18 -0.19 0.00 0.36 0.00 0.00 54.97 55.71 1ssu s GLU 3 Cb 0.06 0.08 -0.06 0.00 0.26 0.00 0.00 34.13 34.46 1ssu s GLU 3 CO 0.16 -0.02 1.12 0.45 -0.54 0.00 0.00 175.26 176.43 1ssu s SER 4 N 0.07 5.78 0.00 -1.70 0.15 -1.26 -4.73 113.70 112.01 1ssu s SER 4 Ca -0.00 2.13 0.24 0.00 0.70 0.00 0.00 55.95 59.02 1ssu s SER 4 Cb -0.01 -2.58 1.16 0.00 -1.71 0.00 0.00 66.02 62.88 1ssu s SER 4 CO 0.00 -1.17 1.80 0.00 1.20 0.00 0.00 173.24 175.07 1ssu s LYS 6 N -2.74 2.90 0.00 0.00 2.47 -1.26 -0.75 119.74 120.36 1ssu s LYS 6 Ca 0.19 0.97 0.00 0.00 -1.56 0.00 0.00 55.97 55.57 1ssu s LYS 6 Cb 0.16 -4.31 0.00 0.00 -1.46 0.00 0.00 37.83 32.22 1ssu s LYS 6 CO 0.40 -2.39 0.00 0.41 0.16 0.00 0.00 175.35 173.93 1ssu n GLY 7 N 5.59 1.03 0.00 5.54 0.00 -1.26 -4.99 105.19 111.09 1ssu n GLY 7 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.39 1.97 -1.48 1.61 1.74 0.07 -5.07 116.66 115.10 1ssu n ARG 8 Ca 0.00 0.00 -0.58 0.00 -0.77 0.00 0.00 57.85 56.50 1ssu n ARG 8 Cb 0.00 -0.71 -0.08 0.00 -1.02 0.00 0.00 32.46 30.64 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 2.59 -0.51 0.33 0.00 -1.04 0.08 -4.96 114.28 110.77 1ssu n THR 10 Ca 0.24 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.37 1ssu n THR 10 Cb 0.00 -1.99 0.54 0.00 -1.82 0.00 0.00 70.33 67.06 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 -1.46 -3.49 114.58 110.91 1ssu h GLU 11 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1ssu h GLU 11 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ssu h GLU 11 CO 0.39 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.88 1ssu n GLY 12 N -0.34 1.69 3.77 1.06 0.00 -1.26 -5.07 105.19 105.03 1ssu n GLY 12 Ca 0.01 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.88 3.11 -0.35 1.61 5.36 -1.26 -4.92 117.98 120.64 1ssu s PHE 13 Ca 0.00 1.53 0.05 0.00 -0.96 0.00 0.00 56.93 57.55 1ssu s PHE 13 Cb 0.00 -3.48 0.18 0.00 -0.34 0.00 0.00 43.02 39.38 1ssu s PHE 13 CO 0.00 -1.43 0.53 1.21 -1.46 0.00 0.00 175.22 174.07 1ssu s ASN 14 N -0.90 -0.64 0.23 6.13 3.84 -1.26 -5.07 114.94 117.28 1ssu s ASN 14 Ca 0.53 -0.64 0.15 0.00 0.21 0.00 0.00 52.86 53.11 1ssu s ASN 14 Cb -0.34 1.53 0.81 0.00 -0.55 0.00 0.00 41.25 42.71 1ssu s ASN 14 CO 0.44 -0.25 1.44 0.55 -2.79 0.00 0.00 177.10 176.48 1ssu n VAL 15 N 4.80 1.23 0.19 -5.21 3.14 -1.26 -1.37 118.33 119.85 1ssu n VAL 15 Ca 0.08 0.67 0.05 0.00 -2.96 0.00 0.00 64.34 62.18 1ssu n VAL 15 Cb 0.52 -1.67 0.38 0.00 -1.06 0.00 0.00 33.84 32.01 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 -4.13 6.55 3.58 -1.97 -3.47 116.42 116.99 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 0.07 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.19 1ssu h ASP 16 CO 0.00 0.37 0.40 -0.54 -2.88 0.00 0.00 179.24 176.59 1ssu s LYS 17 N -3.87 3.29 0.53 0.28 1.02 -0.47 -4.97 119.74 115.56 1ssu s LYS 17 Ca -0.01 1.46 0.20 0.00 0.02 0.00 0.00 55.97 57.64 1ssu s LYS 17 Cb 0.13 -2.01 1.40 0.00 -0.52 0.00 0.00 37.83 36.83 1ssu s LYS 17 CO 0.69 -0.87 2.16 -0.22 -0.92 0.00 0.00 175.35 176.20 1ssu h LYS 18 N 0.87 0.00 -5.95 1.68 1.63 -1.90 -3.41 116.57 109.50 1ssu h LYS 18 Ca -0.49 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 58.76 1ssu h LYS 18 Cb 1.25 0.00 -0.25 0.00 -0.60 0.00 0.00 32.23 32.62 1ssu h LYS 18 CO 0.57 0.02 -0.83 0.00 -3.45 0.00 0.00 179.45 175.75 1ssu n GLN 20 N 1.84 4.95 -0.15 0.00 1.13 -0.78 -4.89 117.38 119.47 1ssu n GLN 20 Ca -0.17 -4.62 0.00 0.00 -1.94 0.00 0.00 57.00 50.27 1ssu n GLN 20 Cb 0.54 -2.49 0.00 0.00 0.11 0.00 0.00 30.24 28.40 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 1.84 -0.09 0.33 0.00 2.15 -1.26 -0.74 116.67 118.91 1ssu s ASP 22 Ca 0.00 -0.77 0.09 0.00 0.43 0.00 0.00 52.55 52.30 1ssu s ASP 22 Cb 0.00 0.52 0.82 0.00 -0.30 0.00 0.00 42.92 43.96 1ssu s ASP 22 CO 0.00 -1.01 1.80 -0.33 -0.17 0.00 0.00 175.17 175.46 1ssu h GLU 23 N 2.36 0.66 0.00 4.34 5.08 -1.96 -2.40 114.58 122.67 1ssu h GLU 23 Ca -0.29 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1ssu h GLU 23 Cb 1.24 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1ssu h GLU 23 CO 0.41 0.44 0.00 1.28 -1.00 0.00 0.00 179.01 180.14 1ssu n LEU 24 N -4.69 0.00 0.19 1.33 4.77 -1.26 -4.01 117.00 113.33 1ssu n LEU 24 Ca 0.22 0.42 0.15 0.00 -0.03 0.00 0.00 56.01 56.78 1ssu n LEU 24 Cb 0.60 -0.42 0.76 0.00 -2.33 0.00 0.00 43.42 42.03 1ssu n LEU 24 CO 0.24 -0.09 1.13 0.00 -1.33 0.00 0.00 177.39 177.34 1ssu n SER 26 N -4.13 0.00 -0.13 0.00 2.88 -1.26 -1.16 113.62 109.82 1ssu n SER 26 Ca 0.01 0.49 0.05 0.00 -1.33 0.00 0.00 58.87 58.09 1ssu n SER 26 Cb 0.29 -0.49 -0.02 0.00 -0.75 0.00 0.00 64.21 63.23 1ssu n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ssu n TYR 27 N -1.49 0.00 -0.00 0.66 9.36 -0.66 -4.68 117.16 120.35 1ssu n TYR 27 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1ssu n TYR 27 Cb 0.06 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.77 1ssu n TYR 27 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1ssu n TYR 28 N -0.67 0.00 -2.58 2.98 4.01 -0.57 -5.04 117.16 115.30 1ssu n TYR 28 Ca 0.03 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.61 1ssu n TYR 28 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.21 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 -0.79 -2.46 -0.32 -0.72 3.00 -0.31 -4.85 117.38 110.94 1ssu n GLN 29 Ca 0.00 0.69 0.06 0.00 -0.01 0.00 0.00 57.00 57.74 1ssu n GLN 29 Cb 0.00 -5.34 0.09 0.00 0.00 0.00 0.00 30.24 25.00 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 -1.96 1.44 -4.66 1.08 7.64 -1.26 -5.10 113.62 110.81 1ssu n SER 30 Ca -0.15 -2.72 -0.29 0.00 1.01 0.00 0.00 58.87 56.71 1ssu n SER 30 Cb 0.62 -0.35 0.17 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.97 0.27 -0.27 0.00 2.02 -1.96 -2.62 112.91 111.33 1ssu h THR 33 Ca -0.51 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.44 1ssu h THR 33 Cb 1.32 0.89 -0.34 0.00 -1.74 0.00 0.00 68.15 68.29 1ssu h THR 33 CO 0.55 0.00 -0.94 0.47 0.37 0.00 0.00 175.52 175.97 1ssu n ASP 34 N -3.46 1.96 -0.32 4.18 8.00 -1.26 -4.99 116.55 120.66 1ssu n ASP 34 Ca -0.01 -2.60 0.00 0.00 0.71 0.00 0.00 54.79 52.89 1ssu n ASP 34 Cb 0.21 -0.41 0.07 0.00 -0.02 0.00 0.00 41.12 40.97 1ssu n ASP 34 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1ssu h TYR 35 N 1.74 -0.79 0.00 1.24 3.20 -1.84 0.64 116.97 121.16 1ssu h TYR 35 Ca -0.06 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1ssu h TYR 35 Cb 1.48 0.48 0.00 0.00 1.54 0.00 0.00 36.73 40.23 1ssu h TYR 35 CO 0.49 -0.39 0.00 0.25 -1.64 0.00 0.00 178.16 176.87 1ssu n THR 36 N -5.51 1.30 0.00 1.81 -2.24 -1.26 -0.43 114.28 107.95 1ssu n THR 36 Ca 0.10 0.40 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 1ssu n THR 36 Cb 0.41 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 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 -1.59 1.99 0.00 6.98 0.00 -0.19 -4.71 120.51 123.00 1ssu n ALA 37 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ssu n ALA 37 Cb 0.11 0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.75 0.34 0.00 0.00 -0.58 0.04 -4.84 120.64 113.85 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 0.26 -0.99 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 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 -1.30 1.41 -1.46 0.00 3.00 0.43 -4.37 118.16 115.86 1ssu n LYS 40 Ca 0.00 0.50 -0.41 0.00 -0.00 0.00 0.00 58.31 58.39 1ssu n LYS 40 Cb 0.00 -2.31 0.01 0.00 0.00 0.00 0.00 35.03 32.73 1ssu n LYS 40 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1ssu n PRO 41 N 6.29 0.61 -2.39 1.64 -0.02 -1.26 -4.89 135.00 134.99 1ssu n PRO 41 Ca 0.29 0.22 -0.37 0.00 -2.02 0.00 0.00 63.50 61.62 1ssu n PRO 41 Cb 0.19 -1.56 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1ssu n PRO 41 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ssu s GLN 42 N -1.65 3.37 0.43 -0.52 0.74 -1.26 -4.99 119.66 115.79 1ssu s GLN 42 Ca 0.64 -1.45 -0.25 0.00 0.05 0.00 0.00 55.36 54.34 1ssu s GLN 42 Cb -0.59 -5.38 -0.09 0.00 1.10 0.00 0.00 33.01 28.05 1ssu s GLN 42 CO 0.58 -2.83 1.32 0.28 -0.55 0.00 0.00 175.29 174.09 1ssu n VAL 43 N 7.01 2.64 -2.09 1.34 0.31 -1.26 -4.97 118.33 121.31 1ssu n VAL 43 Ca 0.44 -0.50 0.04 0.00 -0.01 0.00 0.00 64.34 64.31 1ssu n VAL 43 Cb 0.47 -1.65 0.11 0.00 -0.91 0.00 0.00 33.84 31.85 1ssu n VAL 43 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1ssu n THR 44 N -0.21 1.08 0.29 2.52 -2.24 -1.26 -4.44 114.28 110.02 1ssu n THR 44 Ca 0.06 -2.13 0.16 0.00 -2.27 0.00 0.00 64.05 59.87 1ssu n THR 44 Cb 0.40 0.40 0.90 0.00 -2.10 0.00 0.00 70.33 69.94 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 1.06 0.00 0.00 -0.78 2.43 -1.95 -3.46 114.38 111.68 1ssu h ARG 45 Ca -0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1ssu h ARG 45 Cb 1.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.02 1ssu h ARG 45 CO 0.07 0.05 0.00 0.41 -1.51 0.00 0.00 179.97 178.99 1ssu n GLY 46 N -0.90 0.66 1.33 2.80 0.00 -1.26 -4.95 105.19 102.87 1ssu n GLY 46 Ca -0.02 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 0.53 0.70 -3.80 1.61 2.03 -1.26 -5.10 116.55 111.26 1ssu n ASP 47 Ca 0.00 -1.99 -0.10 0.00 0.52 0.00 0.00 54.79 53.23 1ssu n ASP 47 Cb 0.00 -0.23 -0.07 0.00 -0.72 0.00 0.00 41.12 40.10 1ssu n ASP 47 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ssu s VAL 48 N 0.00 0.12 -2.91 5.18 0.11 -1.26 -5.08 120.40 116.56 1ssu s VAL 48 Ca 0.27 -0.98 0.25 0.00 -2.93 0.00 0.00 61.98 58.58 1ssu s VAL 48 Cb 0.31 -1.23 0.25 0.00 -1.53 0.00 0.00 36.38 34.18 1ssu s VAL 48 CO -0.13 -0.54 1.34 0.49 -3.33 0.00 0.00 175.10 172.92 1ssu n PHE 49 N 0.03 0.01 1.88 1.54 3.72 -1.26 -4.30 117.46 119.09 1ssu n PHE 49 Ca -0.16 -0.01 0.09 0.00 -0.05 0.00 0.00 57.45 57.33 1ssu n PHE 49 Cb 0.62 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.68 1ssu n PHE 49 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1ssu n THR 50 N 1.18 0.03 -0.30 4.37 -2.24 -1.26 -5.20 114.28 110.86 1ssu n THR 50 Ca 0.15 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1ssu n THR 50 Cb 0.56 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1ssu n THR 50 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65