#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 -0.29 2.07 0.00 0.00 2.07 0.32 -4.84 121.20 120.53 1xj1 s ILE 8 Ca 0.61 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.87 1xj1 s ILE 8 Cb -0.48 -3.01 0.00 0.00 0.13 0.00 0.00 42.46 39.10 1xj1 s ILE 8 CO 0.52 -0.03 0.00 0.61 -1.91 0.00 0.00 174.94 174.13 1xj1 n GLY 9 N -3.26 -0.22 3.64 1.50 0.00 -1.26 -4.13 105.19 101.47 1xj1 n GLY 9 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.46 -0.66 -0.74 1.61 -3.43 -1.26 -4.95 115.29 105.40 1xj1 s HIS 10 Ca 0.00 1.32 -0.01 0.00 -0.80 0.00 0.00 55.06 55.57 1xj1 s HIS 10 Cb 0.00 0.40 -0.01 0.00 -1.43 0.00 0.00 32.58 31.53 1xj1 s HIS 10 CO 0.00 -0.33 0.69 0.66 -2.00 0.00 0.00 174.74 173.76 1xj1 n TYR 11 N 3.86 -2.69 -4.36 0.38 4.02 0.38 -5.00 117.16 113.74 1xj1 n TYR 11 Ca -0.18 1.01 -0.18 0.00 -0.01 0.00 0.00 57.90 58.54 1xj1 n TYR 11 Cb 0.58 -3.95 -0.10 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 -3.23 1.46 -0.10 -0.72 0.74 -0.93 -4.86 119.66 112.02 1xj1 s GLN 12 Ca 0.08 -1.78 -0.30 0.00 0.05 0.00 0.00 55.36 53.41 1xj1 s GLN 12 Cb -0.01 -0.52 -0.01 0.00 1.10 0.00 0.00 33.01 33.56 1xj1 s GLN 12 CO 0.70 -0.21 1.02 0.15 -0.55 0.00 0.00 175.29 176.39 1xj1 s LYS 13 N -3.95 4.43 -0.08 1.67 1.02 -1.26 0.11 119.74 121.68 1xj1 s LYS 13 Ca 0.35 1.41 0.23 0.00 0.02 0.00 0.00 55.97 57.98 1xj1 s LYS 13 Cb 0.08 -3.54 0.44 0.00 -0.52 0.00 0.00 37.83 34.29 1xj1 s LYS 13 CO 0.13 -0.31 1.17 0.00 -0.92 0.00 0.00 175.35 175.42 1xj1 h VAL 15 N 5.73 0.00 -0.05 0.00 2.07 -1.83 -3.42 116.25 118.76 1xj1 h VAL 15 Ca -0.16 -0.19 -0.20 0.00 0.82 0.00 0.00 66.70 66.97 1xj1 h VAL 15 Cb 1.66 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1xj1 h VAL 15 CO 0.12 0.00 -0.81 -0.55 0.02 0.00 0.00 177.57 176.35 1xj1 h ASN 16 N -0.19 0.48 -3.25 0.57 7.08 -1.92 -3.46 115.58 114.90 1xj1 h ASN 16 Ca 0.00 -0.34 -0.46 0.00 -3.08 0.00 0.00 56.30 52.42 1xj1 h ASN 16 Cb 0.07 -0.14 0.10 0.00 -2.08 0.00 0.00 38.32 36.27 1xj1 h ASN 16 CO 0.00 1.11 0.23 0.00 -2.08 0.00 0.00 177.43 176.68 1xj1 s ALA 17 N -3.48 3.13 0.87 4.14 0.00 -1.26 -5.08 121.76 120.08 1xj1 s ALA 17 Ca -0.05 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 1xj1 s ALA 17 Cb 0.10 -2.43 0.01 0.00 0.00 0.00 0.00 23.12 20.80 1xj1 s ALA 17 CO 0.85 -1.62 0.03 -0.25 0.00 0.00 0.00 175.76 174.77 1xj1 n ASP 18 N -3.09 -1.79 -2.75 0.00 8.00 -1.26 -4.80 116.55 110.86 1xj1 n ASP 18 Ca 0.12 -0.03 -0.20 0.00 0.71 0.00 0.00 54.79 55.39 1xj1 n ASP 18 Cb 0.60 -0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1xj1 n ASP 18 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1xj1 n LYS 19 N -1.81 2.26 -2.85 -1.24 4.81 -1.26 -4.65 118.16 113.41 1xj1 n LYS 19 Ca 0.01 -4.00 -0.43 0.00 -0.87 0.00 0.00 58.31 53.02 1xj1 n LYS 19 Cb 0.02 -1.85 -0.04 0.00 0.02 0.00 0.00 35.03 33.19 1xj1 n LYS 19 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1xj1 s PRO 20 N -3.20 3.18 -0.35 1.64 0.04 -1.26 -4.98 135.00 130.07 1xj1 s PRO 20 Ca 0.40 -0.63 0.01 0.00 0.04 0.00 0.00 61.00 60.82 1xj1 s PRO 20 Cb 0.39 -4.16 0.11 0.00 0.04 0.00 0.00 34.50 30.87 1xj1 s PRO 20 CO -0.09 -1.70 0.14 0.00 0.04 0.00 0.00 177.00 175.38 1xj1 s SER 23 N -4.04 4.92 -0.08 0.00 0.15 -1.26 -4.23 113.70 109.15 1xj1 s SER 23 Ca 0.61 -0.59 -0.00 0.00 0.70 0.00 0.00 55.95 56.67 1xj1 s SER 23 Cb -0.06 -0.93 0.02 0.00 -1.71 0.00 0.00 66.02 63.34 1xj1 s SER 23 CO 0.47 -0.19 -0.04 -0.54 1.20 0.00 0.00 173.24 174.14 1xj1 s LYS 24 N -3.83 1.00 -0.27 5.44 -0.14 -0.23 -4.91 119.74 116.81 1xj1 s LYS 24 Ca 0.36 -0.08 -0.14 0.00 -1.36 0.00 0.00 55.97 54.75 1xj1 s LYS 24 Cb -0.05 -1.16 -0.04 0.00 -1.68 0.00 0.00 37.83 34.90 1xj1 s LYS 24 CO 0.23 -0.22 0.31 -0.08 -0.76 0.00 0.00 175.35 174.83 1xj1 s THR 25 N 1.58 5.22 -0.18 2.17 -1.32 -1.26 -0.45 115.64 121.40 1xj1 s THR 25 Ca 0.00 0.44 -0.05 0.00 -1.21 0.00 0.00 61.69 60.87 1xj1 s THR 25 Cb -0.13 -3.64 -0.03 0.00 -1.51 0.00 0.00 72.50 67.19 1xj1 s THR 25 CO -0.04 0.19 -0.01 -0.69 -2.21 0.00 0.00 174.62 171.86 1xj1 s VAL 26 N 1.94 4.00 -0.13 5.08 1.01 -1.26 -5.03 120.40 126.00 1xj1 s VAL 26 Ca 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1xj1 s VAL 26 Cb -0.16 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.46 1xj1 s VAL 26 CO 0.10 0.46 -0.12 -0.13 0.00 0.00 0.00 175.10 175.41 1xj1 s ARG 27 N 0.67 2.03 0.03 2.72 0.52 -1.26 -4.52 118.95 119.14 1xj1 s ARG 27 Ca -0.01 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 1xj1 s ARG 27 Cb -0.14 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.42 1xj1 s ARG 27 CO 0.02 -0.23 0.00 0.66 0.02 0.00 0.00 175.30 175.78 1xj1 n TYR 28 N 4.76 -0.24 -0.10 -0.53 4.02 -1.26 -4.99 117.16 118.81 1xj1 n TYR 28 Ca -0.16 0.04 -0.16 0.00 -0.01 0.00 0.00 57.90 57.62 1xj1 n TYR 28 Cb 0.50 0.37 -0.05 0.00 -0.02 0.00 0.00 39.34 40.14 1xj1 n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xj1 n GLY 29 N 1.93 -0.47 3.02 2.72 0.00 -1.26 -5.10 105.19 106.04 1xj1 n GLY 29 Ca 0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 1xj1 n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xj1 n ASP 30 N -4.29 -0.93 -4.58 1.61 8.00 -1.26 -5.05 116.55 110.04 1xj1 n ASP 30 Ca -0.28 -2.89 -0.23 0.00 0.71 0.00 0.00 54.79 52.10 1xj1 n ASP 30 Cb 0.63 1.91 -0.08 0.00 -0.02 0.00 0.00 41.12 43.56 1xj1 n ASP 30 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1xj1 s SER 31 N -3.07 4.45 1.02 -2.24 1.04 -1.26 -4.82 113.70 108.82 1xj1 s SER 31 Ca 0.32 -1.31 -0.16 0.00 0.48 0.00 0.00 55.95 55.28 1xj1 s SER 31 Cb 0.01 -2.59 0.22 0.00 0.10 0.00 0.00 66.02 63.76 1xj1 s SER 31 CO 0.23 -3.66 1.25 0.29 0.98 0.00 0.00 173.24 172.32 1xj1 n LYS 32 N 8.30 -1.38 -1.04 4.02 4.76 -1.26 -5.08 118.16 126.47 1xj1 n LYS 32 Ca 0.43 -1.93 -0.15 0.00 -2.87 0.00 0.00 58.31 53.80 1xj1 n LYS 32 Cb 0.47 -1.32 0.10 0.00 -1.84 0.00 0.00 35.03 32.43 1xj1 n LYS 32 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1xj1 n ASN 33 N -3.89 0.12 -4.98 4.39 5.15 -1.26 -4.94 115.26 109.85 1xj1 n ASN 33 Ca 0.16 -1.28 -0.20 0.00 -0.60 0.00 0.00 54.58 52.65 1xj1 n ASN 33 Cb 0.55 -0.50 0.08 0.00 -0.53 0.00 0.00 39.78 39.38 1xj1 n ASN 33 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1xj1 s VAL 34 N -2.36 2.04 -0.21 3.44 -7.23 -1.26 -4.27 120.40 110.55 1xj1 s VAL 34 Ca 0.38 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.61 1xj1 s VAL 34 Cb -0.01 -2.09 0.04 0.00 0.56 0.00 0.00 36.38 34.88 1xj1 s VAL 34 CO 0.26 0.00 -0.11 -0.60 -0.31 0.00 0.00 175.10 174.34 1xj1 s ARG 35 N -4.77 2.13 0.67 4.82 6.06 0.40 -4.77 118.95 123.50 1xj1 s ARG 35 Ca 0.63 -0.93 -0.04 0.00 -2.50 0.00 0.00 55.73 52.89 1xj1 s ARG 35 Cb -0.05 -2.51 0.06 0.00 0.06 0.00 0.00 34.95 32.51 1xj1 s ARG 35 CO 0.40 -0.44 0.96 0.21 -2.50 0.00 0.00 175.30 173.94 1xj1 s LYS 36 N 1.34 2.20 -0.27 5.12 2.36 0.47 -1.06 119.74 129.89 1xj1 s LYS 36 Ca -0.02 -0.45 -0.00 0.00 -2.55 0.00 0.00 55.97 52.94 1xj1 s LYS 36 Cb -0.17 -2.25 0.14 0.00 -1.05 0.00 0.00 37.83 34.50 1xj1 s LYS 36 CO -0.08 -1.16 0.35 -0.06 1.55 0.00 0.00 175.35 175.95 1xj1 s PHE 37 N -3.14 -0.71 0.32 4.03 0.08 -1.26 0.97 117.98 118.27 1xj1 s PHE 37 Ca 0.60 0.25 0.05 0.00 0.12 0.00 0.00 56.93 57.95 1xj1 s PHE 37 Cb -0.10 -0.24 -0.02 0.00 -0.57 0.00 0.00 43.02 42.09 1xj1 s PHE 37 CO 0.43 -0.87 0.46 0.96 -0.10 0.00 0.00 175.22 176.10 1xj1 s ILE 38 N 2.46 4.54 -0.42 0.64 -4.36 -0.40 -4.61 121.20 119.04 1xj1 s ILE 38 Ca 0.10 -0.90 -0.14 0.00 -0.26 0.00 0.00 60.65 59.45 1xj1 s ILE 38 Cb -0.14 -3.60 0.04 0.00 1.25 0.00 0.00 42.46 40.01 1xj1 s ILE 38 CO -0.26 -0.26 0.31 0.00 0.24 0.00 0.00 174.94 174.96 1xj1 s ASP 40 N 1.91 6.37 -0.16 0.00 1.01 -0.40 -4.92 116.67 120.48 1xj1 s ASP 40 Ca 0.04 0.43 0.16 0.00 0.71 0.00 0.00 52.55 53.90 1xj1 s ASP 40 Cb -0.20 -2.19 0.33 0.00 1.01 0.00 0.00 42.92 41.87 1xj1 s ASP 40 CO 0.08 0.01 1.17 -1.14 0.21 0.00 0.00 175.17 175.51 1xj1 n ARG 41 N 4.12 1.37 -1.26 8.23 0.63 -1.26 -1.54 116.66 126.94 1xj1 n ARG 41 Ca -0.11 -2.81 -0.31 0.00 -0.92 0.00 0.00 57.85 53.70 1xj1 n ARG 41 Cb 0.52 -1.52 0.10 0.00 0.45 0.00 0.00 32.46 32.00 1xj1 n ARG 41 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1xj1 n ASP 42 N -1.31 6.61 0.00 6.15 2.03 -1.26 -4.50 116.55 124.26 1xj1 n ASP 42 Ca 0.17 -3.68 0.00 0.00 0.52 0.00 0.00 54.79 51.80 1xj1 n ASP 42 Cb 0.66 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 1xj1 n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xj1 n GLY 43 N -0.89 0.28 2.08 0.27 0.00 -1.26 -5.04 105.19 100.64 1xj1 n GLY 43 Ca 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1xj1 n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xj1 n GLU 44 N 0.00 0.00 0.00 1.61 1.02 -1.26 -5.10 120.64 116.91 1xj1 n GLU 44 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xj1 n GLU 44 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1xj1 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xj1 n GLY 45 N 0.46 0.70 3.27 0.62 0.00 -0.90 -4.92 105.19 104.41 1xj1 n GLY 45 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 1xj1 n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xj1 s VAL 46 N -0.31 1.28 -0.27 1.61 -7.23 -0.59 -2.54 120.40 112.35 1xj1 s VAL 46 Ca 0.00 -2.08 -0.20 0.00 -1.81 0.00 0.00 61.98 57.89 1xj1 s VAL 46 Cb 0.00 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 1xj1 s VAL 46 CO 0.00 -0.71 0.64 0.00 -0.31 0.00 0.00 175.10 174.72 1xj1 s VAL 48 N 2.54 2.10 0.80 0.00 -7.23 0.14 0.14 120.40 118.89 1xj1 s VAL 48 Ca 0.26 -2.23 -0.15 0.00 -1.81 0.00 0.00 61.98 58.05 1xj1 s VAL 48 Cb -0.15 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 34.34 1xj1 s VAL 48 CO 0.09 -0.31 0.75 -2.65 -0.31 0.00 0.00 175.10 172.67 1xj1 n PRO 49 N -0.66 0.17 -3.84 4.82 -0.02 -1.26 -1.28 135.00 132.93 1xj1 n PRO 49 Ca -0.05 0.11 -0.07 0.00 -2.02 0.00 0.00 63.50 61.47 1xj1 n PRO 49 Cb 0.62 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 1xj1 n PRO 49 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1xj1 s PHE 50 N -2.06 -0.20 -0.07 6.00 5.36 0.27 -4.60 117.98 122.68 1xj1 s PHE 50 Ca 0.67 -0.24 -0.05 0.00 -0.96 0.00 0.00 56.93 56.34 1xj1 s PHE 50 Cb -0.30 0.70 0.02 0.00 -0.34 0.00 0.00 43.02 43.10 1xj1 s PHE 50 CO 0.57 -1.22 0.10 -3.47 -1.46 0.00 0.00 175.22 169.75 1xj1 n ASP 51 N -0.46 -5.58 0.00 6.13 -0.08 -1.26 -0.40 116.55 114.91 1xj1 n ASP 51 Ca -0.05 1.61 0.00 0.00 -1.51 0.00 0.00 54.79 54.84 1xj1 n ASP 51 Cb 0.59 -5.13 0.00 0.00 2.34 0.00 0.00 41.12 38.93 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93