#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 1.06 0.17 -0.67 1.11 -1.26 -4.85 119.66 115.21 1ssu s GLN 2 Ca 0.00 -1.51 -0.01 0.00 0.01 0.00 0.00 55.36 53.85 1ssu s GLN 2 Cb 0.00 -0.10 -0.04 0.00 -1.01 0.00 0.00 33.01 31.87 1ssu s GLN 2 CO 0.00 -0.18 0.10 -1.21 0.01 0.00 0.00 175.29 174.02 1ssu s GLU 3 N -3.96 1.08 0.90 2.91 2.02 -1.26 -5.11 118.70 115.27 1ssu s GLU 3 Ca 0.24 -1.53 -0.12 0.00 0.02 0.00 0.00 54.97 53.59 1ssu s GLU 3 Cb 0.07 0.26 0.13 0.00 0.10 0.00 0.00 34.13 34.69 1ssu s GLU 3 CO 0.03 -0.34 1.09 -1.54 0.02 0.00 0.00 175.26 174.53 1ssu s SER 4 N -3.10 3.47 0.00 -0.19 1.04 -1.26 -4.74 113.70 108.92 1ssu s SER 4 Ca 0.32 1.47 0.12 0.00 0.48 0.00 0.00 55.95 58.34 1ssu s SER 4 Cb 0.07 -2.15 0.74 0.00 0.10 0.00 0.00 66.02 64.78 1ssu s SER 4 CO 0.07 -2.64 1.19 0.00 0.98 0.00 0.00 173.24 172.84 1ssu s LYS 6 N -2.04 4.20 -0.05 0.00 1.02 -1.26 -1.10 119.74 120.50 1ssu s LYS 6 Ca 0.18 2.05 0.00 0.00 0.02 0.00 0.00 55.97 58.22 1ssu s LYS 6 Cb 0.09 -3.89 0.00 0.00 -0.52 0.00 0.00 37.83 33.50 1ssu s LYS 6 CO 0.15 -0.79 0.00 0.41 -0.92 0.00 0.00 175.35 174.20 1ssu n GLY 7 N 3.97 0.47 0.00 -3.33 0.00 -1.26 -4.90 105.19 100.14 1ssu n GLY 7 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.70 2.20 -1.59 1.61 1.74 -0.26 -5.04 116.66 112.61 1ssu n ARG 8 Ca -0.01 0.00 -0.50 0.00 -0.77 0.00 0.00 57.85 56.58 1ssu n ARG 8 Cb 0.05 -0.67 -0.05 0.00 -1.02 0.00 0.00 32.46 30.78 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 2.02 -0.69 0.30 0.00 -1.04 0.46 -4.93 114.28 110.41 1ssu n THR 10 Ca 0.16 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.37 1ssu n THR 10 Cb 0.23 -2.49 0.90 0.00 -1.82 0.00 0.00 70.33 67.15 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 -1.59 -3.49 114.58 110.80 1ssu h GLU 11 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1ssu h GLU 11 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1ssu h GLU 11 CO 0.52 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.01 1ssu n GLY 12 N -0.41 -2.47 3.76 1.06 0.00 -1.26 -4.99 105.19 100.88 1ssu n GLY 12 Ca -0.01 -1.34 -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 -3.78 3.22 -0.27 1.61 2.19 -1.26 -4.91 117.98 114.77 1ssu s PHE 13 Ca 0.00 1.44 -0.01 0.00 0.33 0.00 0.00 56.93 58.69 1ssu s PHE 13 Cb 0.00 -3.57 0.14 0.00 -1.31 0.00 0.00 43.02 38.28 1ssu s PHE 13 CO 0.00 -1.55 0.32 1.21 1.83 0.00 0.00 175.22 177.03 1ssu s ASN 14 N -0.40 1.21 0.61 6.13 3.84 -1.26 -5.06 114.94 120.01 1ssu s ASN 14 Ca 0.50 -0.50 0.27 0.00 0.21 0.00 0.00 52.86 53.34 1ssu s ASN 14 Cb -0.37 0.69 1.39 0.00 -0.55 0.00 0.00 41.25 42.40 1ssu s ASN 14 CO 0.47 -0.36 1.80 0.58 -2.79 0.00 0.00 177.10 176.79 1ssu h VAL 15 N 6.24 0.22 0.00 -5.21 2.07 -1.95 -0.52 116.25 117.09 1ssu h VAL 15 Ca -0.14 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1ssu h VAL 15 Cb 1.10 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1ssu h VAL 15 CO 0.31 0.00 -0.13 -0.78 0.02 0.00 0.00 177.57 176.99 1ssu h ASP 16 N 0.00 0.00 -4.09 0.57 3.58 -1.97 -3.47 116.42 111.04 1ssu h ASP 16 Ca 0.18 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 57.13 1ssu h ASP 16 Cb 1.27 0.00 0.07 0.00 1.72 0.00 0.00 39.33 42.39 1ssu h ASP 16 CO -0.00 0.13 0.43 -0.54 -2.88 0.00 0.00 179.24 176.38 1ssu s LYS 17 N -3.32 3.33 0.21 0.28 -0.14 -0.21 -4.98 119.74 114.91 1ssu s LYS 17 Ca 0.04 1.60 -0.06 0.00 -1.36 0.00 0.00 55.97 56.20 1ssu s LYS 17 Cb 0.07 -2.00 0.17 0.00 -1.68 0.00 0.00 37.83 34.39 1ssu s LYS 17 CO 0.65 -0.86 1.65 0.87 -0.76 0.00 0.00 175.35 176.90 1ssu h LYS 18 N 1.15 0.88 -6.02 1.68 6.56 -1.89 -3.43 116.57 115.50 1ssu h LYS 18 Ca -0.50 -0.31 -0.55 0.00 -1.06 0.00 0.00 60.65 58.23 1ssu h LYS 18 Cb 1.26 -0.06 -0.08 0.00 -0.57 0.00 0.00 32.23 32.78 1ssu h LYS 18 CO 0.57 0.95 -0.52 0.00 -2.06 0.00 0.00 179.45 178.39 1ssu n GLN 20 N -1.20 2.09 -0.28 0.00 1.13 -1.17 -4.92 117.38 113.04 1ssu n GLN 20 Ca -0.02 -4.31 0.00 0.00 -1.94 0.00 0.00 57.00 50.73 1ssu n GLN 20 Cb 0.63 -2.00 0.00 0.00 0.11 0.00 0.00 30.24 28.98 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 1.85 1.09 0.50 0.00 -4.77 -1.26 -0.40 116.67 113.67 1ssu s ASP 22 Ca 0.00 -1.56 0.17 0.00 -3.30 0.00 0.00 52.55 47.86 1ssu s ASP 22 Cb 0.00 0.60 1.22 0.00 -1.09 0.00 0.00 42.92 43.65 1ssu s ASP 22 CO 0.00 -1.17 2.08 -0.33 0.70 0.00 0.00 175.17 176.45 1ssu h GLU 23 N 2.17 0.12 -0.02 2.11 5.08 -1.93 -2.93 114.58 119.18 1ssu h GLU 23 Ca -0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1ssu h GLU 23 Cb 1.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1ssu h GLU 23 CO 0.39 0.08 -0.05 1.28 -1.00 0.00 0.00 179.01 179.71 1ssu n LEU 24 N -4.48 1.80 0.21 1.33 4.77 -1.26 -4.54 117.00 114.83 1ssu n LEU 24 Ca 0.02 -0.59 0.05 0.00 -0.03 0.00 0.00 56.01 55.46 1ssu n LEU 24 Cb 0.24 -0.01 0.51 0.00 -2.33 0.00 0.00 43.42 41.83 1ssu n LEU 24 CO 0.35 0.30 0.93 0.00 -1.33 0.00 0.00 177.39 177.64 1ssu h SER 26 N 0.03 0.16 0.28 0.00 0.87 -1.85 0.02 113.55 113.06 1ssu h SER 26 Ca 0.01 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1ssu h SER 26 Cb 0.28 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1ssu h SER 26 CO 0.02 0.63 -0.04 0.22 -0.53 0.00 0.00 176.83 177.12 1ssu h TYR 27 N 0.12 0.00 0.00 2.24 3.20 -1.79 -2.76 116.97 117.98 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 0.91 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1ssu h TYR 27 CO 0.01 0.04 -0.81 0.66 -1.64 0.00 0.00 178.16 176.42 1ssu n TYR 28 N -3.42 0.00 -3.87 -3.82 4.01 -1.03 -5.02 117.16 104.01 1ssu n TYR 28 Ca -0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.43 1ssu n TYR 28 Cb 0.17 -0.06 0.03 0.00 -0.31 0.00 0.00 39.34 39.16 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 -1.44 -5.52 -0.09 -0.72 1.13 -0.05 -4.94 117.38 105.75 1ssu n GLN 29 Ca 0.01 0.61 0.07 0.00 -1.94 0.00 0.00 57.00 55.75 1ssu n GLN 29 Cb 0.23 -5.45 0.09 0.00 0.11 0.00 0.00 30.24 25.22 1ssu n GLN 29 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ssu n SER 30 N -2.87 2.00 -4.55 1.08 7.64 -0.94 -5.03 113.62 110.94 1ssu n SER 30 Ca -0.01 -2.70 -0.30 0.00 1.01 0.00 0.00 58.87 56.86 1ssu n SER 30 Cb 0.55 -0.31 0.20 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 0.07 0.00 -0.05 0.00 1.35 -1.95 -2.11 112.91 110.21 1ssu h THR 33 Ca -0.48 -0.04 -0.14 0.00 -0.55 0.00 0.00 66.41 65.19 1ssu h THR 33 Cb 1.35 0.94 -0.27 0.00 -1.73 0.00 0.00 68.15 68.43 1ssu h THR 33 CO 0.49 0.00 -0.88 0.47 -0.25 0.00 0.00 175.52 175.35 1ssu n ASP 34 N -2.91 1.37 -0.32 5.36 8.00 -1.26 -4.99 116.55 121.80 1ssu n ASP 34 Ca -0.02 -2.63 0.00 0.00 0.71 0.00 0.00 54.79 52.85 1ssu n ASP 34 Cb 0.08 -0.38 0.05 0.00 -0.02 0.00 0.00 41.12 40.86 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 -0.09 0.08 0.30 1.24 9.36 -0.80 -0.93 117.16 126.32 1ssu n TYR 35 Ca 0.11 1.04 0.08 0.00 3.32 0.00 0.00 57.90 62.45 1ssu n TYR 35 Cb 0.98 -0.85 0.34 0.00 -0.63 0.00 0.00 39.34 39.18 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 -5.28 1.18 0.00 2.97 -2.24 -1.26 -0.84 114.28 108.82 1ssu n THR 36 Ca 0.10 0.39 0.00 0.00 -2.27 0.00 0.00 64.05 62.27 1ssu n THR 36 Cb 0.36 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 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 -1.63 1.96 0.00 6.98 0.00 -0.25 -4.77 120.51 122.81 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 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.26 3.34 0.00 0.00 1.02 -0.11 -4.92 120.64 118.72 1ssu n GLU 38 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ssu n GLU 38 Cb 0.00 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1ssu n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ssu n LYS 40 N -1.73 0.00 0.00 0.00 4.81 -0.02 -4.43 118.16 116.80 1ssu n LYS 40 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ssu n LYS 40 Cb 0.26 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.01 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 7.21 0.12 -3.64 1.64 -0.02 -1.26 -4.54 135.00 134.52 1ssu n PRO 41 Ca 0.56 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.94 1ssu n PRO 41 Cb 0.02 -1.04 -0.07 0.00 -0.02 0.00 0.00 33.50 32.39 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 -1.37 0.64 -0.27 -0.52 0.74 -1.26 -4.89 119.66 112.74 1ssu s GLN 42 Ca 0.00 0.87 0.21 0.00 0.05 0.00 0.00 55.36 56.49 1ssu s GLN 42 Cb 0.00 0.26 0.50 0.00 1.10 0.00 0.00 33.01 34.87 1ssu s GLN 42 CO 0.00 -0.09 1.11 0.28 -0.55 0.00 0.00 175.29 176.04 1ssu n VAL 43 N 3.00 1.38 -1.71 1.34 0.31 -1.26 -5.02 118.33 116.37 1ssu n VAL 43 Ca -0.15 -3.05 -0.42 0.00 -0.01 0.00 0.00 64.34 60.70 1ssu n VAL 43 Cb 0.56 1.05 -0.03 0.00 -0.91 0.00 0.00 33.84 34.52 1ssu n VAL 43 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1ssu n THR 44 N -0.59 0.10 -0.76 2.52 -1.04 -1.26 -4.90 114.28 108.34 1ssu n THR 44 Ca 0.11 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1ssu n THR 44 Cb 0.82 -2.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 1ssu n THR 44 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ssu n ARG 45 N 4.42 0.24 -0.78 -2.82 1.74 -1.26 -5.03 116.66 113.17 1ssu n ARG 45 Ca 0.17 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 1ssu n ARG 45 Cb 0.36 -0.62 0.00 0.00 -1.02 0.00 0.00 32.46 31.18 1ssu n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ssu n GLY 46 N -0.06 0.88 0.37 -0.13 0.00 -1.26 -4.83 105.19 100.17 1ssu n GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.04 -3.53 1.61 2.03 -1.26 -5.10 116.55 110.33 1ssu n ASP 47 Ca 0.00 -1.78 -0.11 0.00 0.52 0.00 0.00 54.79 53.42 1ssu n ASP 47 Cb 0.00 -0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 40.21 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 -0.04 0.03 0.87 5.18 0.11 -1.26 -5.18 120.40 120.11 1ssu s VAL 48 Ca 0.00 -0.29 -0.12 0.00 -2.93 0.00 0.00 61.98 58.64 1ssu s VAL 48 Cb 0.00 -1.12 0.08 0.00 -1.53 0.00 0.00 36.38 33.82 1ssu s VAL 48 CO 0.00 -0.13 0.96 0.33 -3.33 0.00 0.00 175.10 172.93 1ssu n PHE 49 N -0.32 0.40 1.38 1.54 7.35 -1.26 -4.61 117.46 121.94 1ssu n PHE 49 Ca -0.16 0.36 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 1ssu n PHE 49 Cb 0.64 -1.99 0.00 0.00 0.35 0.00 0.00 39.48 38.48 1ssu n PHE 49 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1ssu n THR 50 N -3.58 0.00 -1.26 -2.13 -2.24 -1.26 -4.35 114.28 99.46 1ssu n THR 50 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1ssu n THR 50 Cb 0.51 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1ssu n THR 50 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30