#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xj1 s ILE 8 N 1.16 2.89 0.00 0.00 2.07 -0.82 -4.81 121.20 121.69 1xj1 s ILE 8 Ca 0.29 0.29 0.00 0.00 -1.41 0.00 0.00 60.65 59.82 1xj1 s ILE 8 Cb -0.16 -3.27 0.00 0.00 0.13 0.00 0.00 42.46 39.16 1xj1 s ILE 8 CO 0.12 -0.38 0.00 0.61 -1.91 0.00 0.00 174.94 173.38 1xj1 n GLY 9 N -3.08 -0.22 3.64 1.50 0.00 -1.26 -3.90 105.19 101.87 1xj1 n GLY 9 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 1xj1 n GLY 9 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xj1 s HIS 10 N -0.11 -0.64 -1.01 1.61 -3.43 -1.26 -4.91 115.29 105.55 1xj1 s HIS 10 Ca 0.00 1.36 -0.07 0.00 -0.80 0.00 0.00 55.06 55.55 1xj1 s HIS 10 Cb 0.00 0.40 -0.05 0.00 -1.43 0.00 0.00 32.58 31.50 1xj1 s HIS 10 CO 0.00 -0.31 0.86 0.66 -2.00 0.00 0.00 174.74 173.95 1xj1 n TYR 11 N 3.30 -2.47 -4.11 0.38 4.02 0.30 -5.02 117.16 113.56 1xj1 n TYR 11 Ca -0.17 0.85 -0.23 0.00 -0.01 0.00 0.00 57.90 58.34 1xj1 n TYR 11 Cb 0.57 -4.00 -0.04 0.00 -0.02 0.00 0.00 39.34 35.84 1xj1 n TYR 11 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1xj1 s GLN 12 N -4.40 2.92 -0.33 -0.72 2.00 -0.94 -4.76 119.66 113.43 1xj1 s GLN 12 Ca 0.38 -1.03 -0.29 0.00 -2.00 0.00 0.00 55.36 52.42 1xj1 s GLN 12 Cb -0.07 -2.57 0.02 0.00 0.80 0.00 0.00 33.01 31.19 1xj1 s GLN 12 CO 0.76 0.41 1.10 0.15 -0.50 0.00 0.00 175.29 177.21 1xj1 s LYS 13 N -3.73 4.02 0.05 1.67 3.01 -1.26 0.16 119.74 123.66 1xj1 s LYS 13 Ca 0.33 1.04 0.09 0.00 -1.01 0.00 0.00 55.97 56.41 1xj1 s LYS 13 Cb -0.08 -3.76 -0.22 0.00 -1.01 0.00 0.00 37.83 32.76 1xj1 s LYS 13 CO 0.25 -0.96 1.02 0.00 0.51 0.00 0.00 175.35 176.17 1xj1 h VAL 15 N 0.00 1.28 0.11 0.00 2.07 -1.91 -3.28 116.25 114.52 1xj1 h VAL 15 Ca -0.12 -1.61 -0.34 0.00 0.82 0.00 0.00 66.70 65.45 1xj1 h VAL 15 Cb 1.87 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 1xj1 h VAL 15 CO 0.11 0.52 -1.79 0.78 0.02 0.00 0.00 177.57 177.21 1xj1 h ASN 16 N 0.64 0.37 -3.25 0.57 4.21 -1.89 -3.45 115.58 112.79 1xj1 h ASN 16 Ca 0.05 -0.68 -0.59 0.00 1.21 0.00 0.00 56.30 56.28 1xj1 h ASN 16 Cb 0.99 -0.12 -0.37 0.00 -1.12 0.00 0.00 38.32 37.71 1xj1 h ASN 16 CO 0.09 1.60 -0.82 0.00 -1.29 0.00 0.00 177.43 177.01 1xj1 s ALA 17 N -2.58 1.80 -0.96 -0.83 0.00 -0.51 -5.06 121.76 113.62 1xj1 s ALA 17 Ca -0.15 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 1xj1 s ALA 17 Cb 0.07 -1.12 0.27 0.00 0.00 0.00 0.00 23.12 22.34 1xj1 s ALA 17 CO 0.81 -0.57 1.12 -3.47 0.00 0.00 0.00 175.76 173.66 1xj1 n ASP 18 N 4.78 5.27 -4.43 0.00 -0.08 -1.25 -3.79 116.55 117.04 1xj1 n ASP 18 Ca -0.15 -3.30 -0.24 0.00 -1.51 0.00 0.00 54.79 49.59 1xj1 n ASP 18 Cb 0.49 -1.12 -0.10 0.00 2.34 0.00 0.00 41.12 42.72 1xj1 n ASP 18 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1xj1 s LYS 19 N -2.17 1.57 0.24 -0.67 1.02 -1.26 -5.05 119.74 113.42 1xj1 s LYS 19 Ca 0.32 -1.67 -0.31 0.00 0.02 0.00 0.00 55.97 54.33 1xj1 s LYS 19 Cb 0.02 -1.67 -0.13 0.00 -0.52 0.00 0.00 37.83 35.52 1xj1 s LYS 19 CO -0.00 0.32 1.44 -2.30 -0.92 0.00 0.00 175.35 173.89 1xj1 n PRO 20 N -0.33 2.09 -3.19 -1.68 -0.02 -1.19 -4.86 135.00 125.82 1xj1 n PRO 20 Ca -0.08 0.75 -0.45 0.00 -2.02 0.00 0.00 63.50 61.70 1xj1 n PRO 20 Cb 0.59 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 1xj1 n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xj1 s SER 23 N -2.38 4.86 -0.19 0.00 0.15 -1.26 -4.01 113.70 110.87 1xj1 s SER 23 Ca 0.64 -0.64 0.01 0.00 0.70 0.00 0.00 55.95 56.65 1xj1 s SER 23 Cb -0.19 -0.87 0.04 0.00 -1.71 0.00 0.00 66.02 63.29 1xj1 s SER 23 CO 0.62 -0.23 -0.09 -0.54 1.20 0.00 0.00 173.24 174.20 1xj1 s LYS 24 N -3.84 1.90 0.08 5.44 3.01 0.29 -4.99 119.74 121.63 1xj1 s LYS 24 Ca 0.37 -0.77 0.09 0.00 -1.01 0.00 0.00 55.97 54.64 1xj1 s LYS 24 Cb -0.04 -2.33 -0.03 0.00 -1.01 0.00 0.00 37.83 34.41 1xj1 s LYS 24 CO 0.23 -0.43 -0.22 -0.08 0.51 0.00 0.00 175.35 175.36 1xj1 s THR 25 N 1.45 2.50 0.50 2.17 -1.32 -1.26 0.06 115.64 119.73 1xj1 s THR 25 Ca -0.01 -1.44 -0.15 0.00 -1.21 0.00 0.00 61.69 58.87 1xj1 s THR 25 Cb -0.16 -2.07 -0.08 0.00 -1.51 0.00 0.00 72.50 68.69 1xj1 s THR 25 CO -0.08 0.24 0.95 -0.69 -2.21 0.00 0.00 174.62 172.83 1xj1 s VAL 26 N -0.97 4.58 -0.55 5.08 1.01 -1.26 -4.97 120.40 123.32 1xj1 s VAL 26 Ca 0.14 1.12 -0.01 0.00 0.00 0.00 0.00 61.98 63.23 1xj1 s VAL 26 Cb -0.10 -3.72 0.43 0.00 0.00 0.00 0.00 36.38 32.98 1xj1 s VAL 26 CO 0.06 -0.67 1.99 0.54 0.00 0.00 0.00 175.10 177.02 1xj1 n ARG 27 N -1.55 2.40 -4.22 2.72 1.74 -1.26 -4.92 116.66 111.57 1xj1 n ARG 27 Ca 0.06 -2.83 -0.12 0.00 -0.77 0.00 0.00 57.85 54.19 1xj1 n ARG 27 Cb 0.54 -2.11 -0.10 0.00 -1.02 0.00 0.00 32.46 29.77 1xj1 n ARG 27 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1xj1 s TYR 28 N -3.26 1.11 0.00 -1.55 1.51 -1.26 -5.13 117.35 108.78 1xj1 s TYR 28 Ca 0.55 -1.08 0.00 0.00 -1.01 0.00 0.00 57.07 55.53 1xj1 s TYR 28 Cb 0.44 -0.64 0.00 0.00 -0.11 0.00 0.00 41.96 41.65 1xj1 s TYR 28 CO 0.01 -0.30 0.00 0.41 -1.11 0.00 0.00 175.55 174.56 1xj1 n GLY 29 N -0.20 1.25 0.15 0.71 0.00 -1.26 -4.63 105.19 101.20 1xj1 n GLY 29 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 1xj1 n GLY 29 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xj1 h ASP 30 N 0.00 0.00 -1.78 1.61 3.32 -2.02 -3.43 116.42 114.12 1xj1 h ASP 30 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 1xj1 h ASP 30 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xj1 h ASP 30 CO 0.00 0.56 1.50 -0.24 -1.72 0.00 0.00 179.24 179.34 1xj1 n SER 31 N -3.83 2.96 -1.46 6.45 2.88 -1.26 -4.66 113.62 114.70 1xj1 n SER 31 Ca -0.01 0.17 0.19 0.00 -1.33 0.00 0.00 58.87 57.89 1xj1 n SER 31 Cb 0.57 -1.51 -0.06 0.00 -0.75 0.00 0.00 64.21 62.47 1xj1 n SER 31 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xj1 n LYS 32 N 8.70 -3.05 -3.99 -1.46 5.02 -1.26 -4.59 118.16 117.53 1xj1 n LYS 32 Ca 0.33 2.14 -0.21 0.00 -2.02 0.00 0.00 58.31 58.55 1xj1 n LYS 32 Cb 0.42 -3.67 -0.06 0.00 -0.02 0.00 0.00 35.03 31.69 1xj1 n LYS 32 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1xj1 n ASN 33 N -4.30 1.30 -4.78 4.39 5.15 -1.26 -4.90 115.26 110.86 1xj1 n ASN 33 Ca -0.01 -2.79 -0.37 0.00 -0.60 0.00 0.00 54.58 50.81 1xj1 n ASN 33 Cb 0.67 0.82 -0.06 0.00 -0.53 0.00 0.00 39.78 40.67 1xj1 n ASN 33 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1xj1 s VAL 34 N -2.79 4.23 -0.05 3.44 1.01 -1.26 -4.19 120.40 120.78 1xj1 s VAL 34 Ca 0.16 1.80 0.01 0.00 0.00 0.00 0.00 61.98 63.95 1xj1 s VAL 34 Cb 0.01 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1xj1 s VAL 34 CO 0.11 0.12 -0.07 -0.60 0.00 0.00 0.00 175.10 174.67 1xj1 s ARG 35 N -2.11 1.05 0.00 2.72 3.52 0.11 -4.98 118.95 119.26 1xj1 s ARG 35 Ca 0.51 -0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.92 1xj1 s ARG 35 Cb -0.18 -0.97 0.00 0.00 -1.56 0.00 0.00 34.95 32.24 1xj1 s ARG 35 CO 0.23 -0.04 0.00 1.63 -0.81 0.00 0.00 175.30 176.31 1xj1 n LYS 36 N 3.94 1.85 -3.85 5.12 5.02 -0.88 0.11 118.16 129.46 1xj1 n LYS 36 Ca -0.25 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 55.93 1xj1 n LYS 36 Cb 0.51 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.40 1xj1 n LYS 36 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1xj1 s PHE 37 N 1.39 -0.05 0.15 2.13 0.40 -1.26 -1.55 117.98 119.19 1xj1 s PHE 37 Ca 0.00 0.14 0.11 0.00 -0.60 0.00 0.00 56.93 56.58 1xj1 s PHE 37 Cb 0.00 0.00 -0.04 0.00 0.51 0.00 0.00 43.02 43.49 1xj1 s PHE 37 CO 0.00 -0.10 -0.25 0.96 0.70 0.00 0.00 175.22 176.53 1xj1 s ILE 38 N -0.30 2.22 -0.48 0.64 -4.36 0.18 -4.84 121.20 114.25 1xj1 s ILE 38 Ca -0.04 -1.86 -0.04 0.00 -0.26 0.00 0.00 60.65 58.46 1xj1 s ILE 38 Cb -0.03 -2.00 0.13 0.00 1.25 0.00 0.00 42.46 41.81 1xj1 s ILE 38 CO 0.00 -0.03 0.30 0.00 0.24 0.00 0.00 174.94 175.45 1xj1 s ASP 40 N 1.60 6.51 -0.15 0.00 -1.08 -0.92 -4.89 116.67 117.75 1xj1 s ASP 40 Ca 0.11 0.37 0.11 0.00 -0.52 0.00 0.00 52.55 52.62 1xj1 s ASP 40 Cb -0.22 -2.35 -0.17 0.00 -1.46 0.00 0.00 42.92 38.72 1xj1 s ASP 40 CO -0.04 -0.57 0.02 -1.14 0.52 0.00 0.00 175.17 173.96 1xj1 n ARG 41 N 6.06 1.53 0.14 4.34 0.63 -1.26 -1.27 116.66 126.82 1xj1 n ARG 41 Ca 0.00 0.01 -0.01 0.00 -0.92 0.00 0.00 57.85 56.93 1xj1 n ARG 41 Cb 0.49 -1.36 0.18 0.00 0.45 0.00 0.00 32.46 32.21 1xj1 n ARG 41 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1xj1 h ASP 42 N 0.00 0.02 0.00 6.15 5.19 -2.00 -3.37 116.42 122.41 1xj1 h ASP 42 Ca -0.39 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1xj1 h ASP 42 Cb 1.84 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 41.34 1xj1 h ASP 42 CO 0.01 0.61 0.00 0.61 -3.12 0.00 0.00 179.24 177.35 1xj1 n GLY 43 N 0.19 1.68 0.11 2.75 0.00 -1.26 -4.89 105.19 103.77 1xj1 n GLY 43 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1xj1 n GLY 43 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xj1 n GLU 44 N 0.00 0.67 0.00 1.61 2.13 -1.26 -5.04 120.64 118.76 1xj1 n GLU 44 Ca 0.00 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1xj1 n GLU 44 Cb 0.00 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.18 1xj1 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xj1 n GLY 45 N 1.94 0.70 3.11 8.31 0.00 -0.70 -4.99 105.19 113.57 1xj1 n GLY 45 Ca -0.38 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 1xj1 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xj1 s VAL 46 N -1.10 0.13 -0.47 1.61 1.01 -0.39 -2.34 120.40 118.84 1xj1 s VAL 46 Ca 0.00 -1.08 -0.17 0.00 0.00 0.00 0.00 61.98 60.73 1xj1 s VAL 46 Cb 0.00 -0.85 0.05 0.00 0.00 0.00 0.00 36.38 35.58 1xj1 s VAL 46 CO 0.00 -0.60 0.49 0.00 0.00 0.00 0.00 175.10 175.00 1xj1 s VAL 48 N 2.15 3.12 0.54 0.00 -7.23 -0.24 0.11 120.40 118.85 1xj1 s VAL 48 Ca 0.10 -1.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.10 1xj1 s VAL 48 Cb -0.20 -2.76 -0.06 0.00 0.56 0.00 0.00 36.38 33.91 1xj1 s VAL 48 CO 0.10 -0.33 1.07 -2.16 -0.31 0.00 0.00 175.10 173.47 1xj1 s PRO 49 N -3.67 3.51 0.24 4.82 0.04 -1.26 0.48 135.00 139.16 1xj1 s PRO 49 Ca 0.32 1.40 -0.10 0.00 0.04 0.00 0.00 61.00 62.66 1xj1 s PRO 49 Cb -0.05 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1xj1 s PRO 49 CO 0.19 -0.68 0.41 -0.59 0.04 0.00 0.00 177.00 176.37 1xj1 s PHE 50 N -2.05 0.55 -0.21 0.56 -0.71 -0.60 -4.75 117.98 110.77 1xj1 s PHE 50 Ca 0.68 -0.88 -0.16 0.00 -1.04 0.00 0.00 56.93 55.53 1xj1 s PHE 50 Cb -0.19 0.03 -0.10 0.00 -1.21 0.00 0.00 43.02 41.56 1xj1 s PHE 50 CO 0.27 -0.94 -0.20 -0.25 -1.34 0.00 0.00 175.22 172.77 1xj1 n ASP 51 N -0.42 1.90 0.00 1.98 9.92 -1.26 -2.07 116.55 126.59 1xj1 n ASP 51 Ca -0.01 0.42 0.00 0.00 -0.53 0.00 0.00 54.79 54.67 1xj1 n ASP 51 Cb 0.63 -0.84 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94