#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 1.13 3.60 0.00 0.00 2.07 -0.91 -4.83 121.20 122.26 1xj1 s ILE 8 Ca -0.06 0.52 0.00 0.00 -1.41 0.00 0.00 60.65 59.70 1xj1 s ILE 8 Cb -0.05 -3.49 0.00 0.00 0.13 0.00 0.00 42.46 39.05 1xj1 s ILE 8 CO -0.13 -0.68 0.00 0.61 -1.91 0.00 0.00 174.94 172.83 1xj1 n GLY 9 N -2.91 0.03 3.31 1.50 0.00 -1.26 -3.72 105.19 102.14 1xj1 n GLY 9 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -0.68 -0.80 1.61 -3.43 -1.26 -4.86 115.29 105.87 1xj1 s HIS 10 Ca 0.00 1.41 -0.02 0.00 -0.80 0.00 0.00 55.06 55.65 1xj1 s HIS 10 Cb 0.00 0.31 -0.03 0.00 -1.43 0.00 0.00 32.58 31.44 1xj1 s HIS 10 CO 0.00 -0.38 0.73 0.66 -2.00 0.00 0.00 174.74 173.76 1xj1 n TYR 11 N 4.37 -2.59 -4.43 0.38 4.02 0.37 -5.01 117.16 114.27 1xj1 n TYR 11 Ca -0.22 0.96 -0.35 0.00 -0.01 0.00 0.00 57.90 58.28 1xj1 n TYR 11 Cb 0.55 -3.97 -0.10 0.00 -0.02 0.00 0.00 39.34 35.80 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 -3.52 2.97 -0.59 -0.72 -0.44 -0.92 -4.76 119.66 111.68 1xj1 s GLN 12 Ca 0.17 -0.44 -0.28 0.00 -2.50 0.00 0.00 55.36 52.31 1xj1 s GLN 12 Cb -0.02 -2.76 0.03 0.00 -1.64 0.00 0.00 33.01 28.62 1xj1 s GLN 12 CO 0.69 0.67 1.21 0.15 0.50 0.00 0.00 175.29 178.51 1xj1 s LYS 13 N -0.79 3.49 -0.28 1.67 1.02 -1.26 0.13 119.74 123.71 1xj1 s LYS 13 Ca 0.12 0.24 0.09 0.00 0.02 0.00 0.00 55.97 56.44 1xj1 s LYS 13 Cb -0.11 -4.03 0.51 0.00 -0.52 0.00 0.00 37.83 33.67 1xj1 s LYS 13 CO 0.02 -1.72 1.46 0.00 -0.92 0.00 0.00 175.35 174.19 1xj1 h VAL 15 N 1.04 0.00 -0.87 0.00 2.07 -1.82 -3.26 116.25 113.40 1xj1 h VAL 15 Ca 0.20 -0.09 -0.47 0.00 0.82 0.00 0.00 66.70 67.17 1xj1 h VAL 15 Cb 1.63 0.00 -0.27 0.00 -1.52 0.00 0.00 31.29 31.13 1xj1 h VAL 15 CO 0.37 0.00 0.51 0.59 0.02 0.00 0.00 177.57 179.06 1xj1 n ASN 16 N -4.19 3.88 -3.64 0.57 3.02 -1.26 -4.89 115.26 108.74 1xj1 n ASN 16 Ca -0.09 -3.67 -0.07 0.00 -0.03 0.00 0.00 54.58 50.72 1xj1 n ASN 16 Cb 0.29 -0.81 -0.07 0.00 -0.61 0.00 0.00 39.78 38.58 1xj1 n ASN 16 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xj1 s ALA 17 N -3.35 -1.85 -0.34 5.41 0.00 -1.23 -5.14 121.76 115.27 1xj1 s ALA 17 Ca 0.55 2.39 -0.12 0.00 0.00 0.00 0.00 51.96 54.78 1xj1 s ALA 17 Cb 0.47 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.18 1xj1 s ALA 17 CO 0.08 -0.37 0.21 0.34 0.00 0.00 0.00 175.76 176.01 1xj1 s ASP 18 N 1.60 5.82 0.05 0.00 2.15 -1.26 -4.36 116.67 120.67 1xj1 s ASP 18 Ca -0.10 -0.60 0.03 0.00 0.43 0.00 0.00 52.55 52.30 1xj1 s ASP 18 Cb -0.05 -2.07 -0.03 0.00 -0.30 0.00 0.00 42.92 40.47 1xj1 s ASP 18 CO -0.19 -0.27 -0.09 -0.54 -0.17 0.00 0.00 175.17 173.91 1xj1 s LYS 19 N 1.65 0.60 -0.10 4.34 1.02 -1.26 -5.12 119.74 120.87 1xj1 s LYS 19 Ca 0.05 -0.83 -0.29 0.00 0.02 0.00 0.00 55.97 54.91 1xj1 s LYS 19 Cb -0.18 -0.37 -0.04 0.00 -0.52 0.00 0.00 37.83 36.72 1xj1 s LYS 19 CO 0.08 0.07 1.51 -1.25 -0.92 0.00 0.00 175.35 174.84 1xj1 s PRO 20 N -1.78 4.18 -0.84 -1.68 0.04 -1.26 -4.95 135.00 128.71 1xj1 s PRO 20 Ca -0.07 1.97 -0.26 0.00 0.04 0.00 0.00 61.00 62.69 1xj1 s PRO 20 Cb -0.09 -3.91 0.04 0.00 0.04 0.00 0.00 34.50 30.58 1xj1 s PRO 20 CO 0.00 -0.82 1.34 0.00 0.04 0.00 0.00 177.00 177.56 1xj1 s SER 23 N -2.04 5.75 -0.34 0.00 0.01 -1.26 -4.34 113.70 111.48 1xj1 s SER 23 Ca 0.73 -0.29 -0.01 0.00 1.31 0.00 0.00 55.95 57.69 1xj1 s SER 23 Cb -0.30 -1.14 0.13 0.00 0.21 0.00 0.00 66.02 64.92 1xj1 s SER 23 CO 0.51 -0.41 0.19 -0.54 0.41 0.00 0.00 173.24 173.40 1xj1 s LYS 24 N -4.12 0.47 0.02 12.44 1.02 0.17 -5.02 119.74 124.73 1xj1 s LYS 24 Ca 0.44 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 55.30 1xj1 s LYS 24 Cb -0.08 -1.29 -0.04 0.00 -0.52 0.00 0.00 37.83 35.89 1xj1 s LYS 24 CO 0.30 -1.16 0.09 0.95 -0.92 0.00 0.00 175.35 174.61 1xj1 s THR 25 N 1.33 4.72 -0.13 2.17 -4.23 -1.26 -1.63 115.64 116.61 1xj1 s THR 25 Ca 0.16 -0.49 -0.14 0.00 -1.18 0.00 0.00 61.69 60.03 1xj1 s THR 25 Cb -0.21 -3.19 -0.05 0.00 1.34 0.00 0.00 72.50 70.39 1xj1 s THR 25 CO -0.09 0.29 0.34 -0.69 -0.54 0.00 0.00 174.62 173.92 1xj1 s VAL 26 N -1.26 5.25 -1.02 2.29 1.01 -1.25 -4.94 120.40 120.48 1xj1 s VAL 26 Ca 0.25 0.65 -0.23 0.00 0.00 0.00 0.00 61.98 62.65 1xj1 s VAL 26 Cb -0.12 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1xj1 s VAL 26 CO 0.17 0.42 1.84 -0.13 0.00 0.00 0.00 175.10 177.40 1xj1 s ARG 27 N 0.18 2.82 0.26 2.72 3.00 -1.26 -4.89 118.95 121.78 1xj1 s ARG 27 Ca 0.19 -0.75 0.12 0.00 0.00 0.00 0.00 55.73 55.29 1xj1 s ARG 27 Cb -0.14 -5.19 -0.05 0.00 0.00 0.00 0.00 34.95 29.57 1xj1 s ARG 27 CO 0.07 -3.24 -0.20 0.71 0.00 0.00 0.00 175.30 172.64 1xj1 s TYR 28 N 9.00 2.32 -0.21 -0.53 2.02 -1.26 -5.07 117.35 123.62 1xj1 s TYR 28 Ca 0.64 -0.33 -0.13 0.00 -0.37 0.00 0.00 57.07 56.89 1xj1 s TYR 28 Cb -0.03 -1.03 -0.19 0.00 -0.40 0.00 0.00 41.96 40.31 1xj1 s TYR 28 CO 0.01 0.67 0.03 0.41 -1.57 0.00 0.00 175.55 175.11 1xj1 n GLY 29 N -0.47 -0.60 3.96 0.71 0.00 -1.26 -4.97 105.19 102.55 1xj1 n GLY 29 Ca -0.06 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1xj1 n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xj1 s ASP 30 N -7.02 6.33 0.37 1.61 2.15 -1.26 -5.00 116.67 113.86 1xj1 s ASP 30 Ca -0.31 0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.82 1xj1 s ASP 30 Cb 0.09 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 40.81 1xj1 s ASP 30 CO 0.61 -0.03 0.00 -1.20 -0.17 0.00 0.00 175.17 174.38 1xj1 n SER 31 N -1.02 -8.62 -3.57 -0.34 7.64 -1.26 -4.81 113.62 101.64 1xj1 n SER 31 Ca -0.08 0.69 -0.29 0.00 1.01 0.00 0.00 58.87 60.20 1xj1 n SER 31 Cb 0.55 -4.45 -0.14 0.00 -1.01 0.00 0.00 64.21 59.16 1xj1 n SER 31 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1xj1 s LYS 32 N -2.49 0.56 -0.78 1.43 1.02 -1.26 -4.99 119.74 113.23 1xj1 s LYS 32 Ca 0.00 -1.11 0.03 0.00 0.02 0.00 0.00 55.97 54.90 1xj1 s LYS 32 Cb 0.00 -1.51 0.24 0.00 -0.52 0.00 0.00 37.83 36.03 1xj1 s LYS 32 CO 0.00 -1.10 0.82 -1.71 -0.92 0.00 0.00 175.35 172.43 1xj1 n ASN 33 N 4.51 4.12 -4.79 2.83 5.15 -1.26 -5.06 115.26 120.76 1xj1 n ASN 33 Ca 0.03 -3.33 -0.37 0.00 -0.60 0.00 0.00 54.58 50.32 1xj1 n ASN 33 Cb 0.39 -0.86 -0.07 0.00 -0.53 0.00 0.00 39.78 38.71 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 -2.08 5.27 -0.32 3.44 -7.23 -1.26 -3.94 120.40 114.28 1xj1 s VAL 34 Ca 0.33 0.56 -0.09 0.00 -1.81 0.00 0.00 61.98 60.97 1xj1 s VAL 34 Cb 0.05 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.39 1xj1 s VAL 34 CO -0.05 0.49 0.14 -0.60 -0.31 0.00 0.00 175.10 174.77 1xj1 s ARG 35 N -0.30 3.08 0.04 4.82 3.52 -0.65 -4.80 118.95 124.67 1xj1 s ARG 35 Ca 0.18 -0.88 0.00 0.00 -0.13 0.00 0.00 55.73 54.90 1xj1 s ARG 35 Cb -0.14 -3.53 0.01 0.00 -1.56 0.00 0.00 34.95 29.73 1xj1 s ARG 35 CO 0.07 -0.51 0.05 1.63 -0.81 0.00 0.00 175.30 175.73 1xj1 n LYS 36 N 4.93 0.70 -3.65 5.12 4.76 0.27 0.46 118.16 130.76 1xj1 n LYS 36 Ca -0.13 -0.15 -0.03 0.00 -2.87 0.00 0.00 58.31 55.12 1xj1 n LYS 36 Cb 0.48 -0.03 -0.05 0.00 -1.84 0.00 0.00 35.03 33.59 1xj1 n LYS 36 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1xj1 s PHE 37 N 0.29 -1.26 0.14 2.13 0.08 -1.26 -0.62 117.98 117.49 1xj1 s PHE 37 Ca 0.03 2.27 0.05 0.00 0.12 0.00 0.00 56.93 59.41 1xj1 s PHE 37 Cb -0.00 0.76 -0.04 0.00 -0.57 0.00 0.00 43.02 43.16 1xj1 s PHE 37 CO 0.02 -0.63 -0.12 0.96 -0.10 0.00 0.00 175.22 175.36 1xj1 s ILE 38 N 2.51 1.25 -0.58 0.64 -5.25 -0.62 -4.70 121.20 114.45 1xj1 s ILE 38 Ca -0.07 -1.93 -0.19 0.00 -0.99 0.00 0.00 60.65 57.47 1xj1 s ILE 38 Cb -0.10 -1.72 0.10 0.00 2.95 0.00 0.00 42.46 43.69 1xj1 s ILE 38 CO -0.19 -0.61 0.68 0.00 -1.79 0.00 0.00 174.94 173.03 1xj1 s ASP 40 N 3.46 6.77 -0.27 0.00 2.15 -0.45 -4.90 116.67 123.43 1xj1 s ASP 40 Ca 0.12 0.91 0.12 0.00 0.43 0.00 0.00 52.55 54.13 1xj1 s ASP 40 Cb -0.23 -2.29 0.64 0.00 -0.30 0.00 0.00 42.92 40.73 1xj1 s ASP 40 CO 0.07 0.09 1.63 0.54 -0.17 0.00 0.00 175.17 177.33 1xj1 n ARG 41 N 3.08 3.13 0.00 4.34 1.74 -1.26 -1.68 116.66 126.02 1xj1 n ARG 41 Ca -0.09 -3.04 -0.22 0.00 -0.77 0.00 0.00 57.85 53.74 1xj1 n ARG 41 Cb 0.52 -2.03 -0.14 0.00 -1.02 0.00 0.00 32.46 29.79 1xj1 n ARG 41 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1xj1 h ASP 42 N 2.09 0.40 0.00 0.55 3.32 -1.95 -3.41 116.42 117.42 1xj1 h ASP 42 Ca 0.18 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.31 1xj1 h ASP 42 Cb 1.94 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.36 1xj1 h ASP 42 CO 0.52 1.82 -0.05 1.23 -1.72 0.00 0.00 179.24 181.03 1xj1 h GLY 43 N 0.83 0.00 -3.13 2.75 0.00 -1.97 -3.46 103.07 98.08 1xj1 h GLY 43 Ca -0.41 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.78 1xj1 h GLY 43 CO 0.07 0.00 -0.28 -1.84 0.00 0.00 0.00 176.54 174.49 1xj1 n GLU 44 N -2.79 0.52 -3.21 4.80 0.28 -1.26 -5.03 120.64 113.94 1xj1 n GLU 44 Ca -0.01 -1.08 -0.10 0.00 -0.16 0.00 0.00 57.16 55.81 1xj1 n GLU 44 Cb 0.03 0.47 0.04 0.00 1.43 0.00 0.00 31.44 33.41 1xj1 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xj1 n GLY 45 N -0.59 -1.19 3.23 -1.84 0.00 -1.13 -4.75 105.19 98.92 1xj1 n GLY 45 Ca -0.24 0.54 -0.17 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.23 1.25 -0.57 1.61 1.01 -0.68 -1.91 120.40 117.89 1xj1 s VAL 46 Ca 0.27 -1.68 -0.19 0.00 0.00 0.00 0.00 61.98 60.38 1xj1 s VAL 46 Cb -0.04 -1.48 0.08 0.00 0.00 0.00 0.00 36.38 34.95 1xj1 s VAL 46 CO 0.75 -0.43 0.71 0.00 0.00 0.00 0.00 175.10 176.14 1xj1 s VAL 48 N 2.84 3.96 0.95 0.00 -7.23 -0.55 0.14 120.40 120.50 1xj1 s VAL 48 Ca 0.14 -1.57 -0.14 0.00 -1.81 0.00 0.00 61.98 58.60 1xj1 s VAL 48 Cb -0.21 -3.19 -0.02 0.00 0.56 0.00 0.00 36.38 33.52 1xj1 s VAL 48 CO 0.09 -0.33 0.10 -2.65 -0.31 0.00 0.00 175.10 172.00 1xj1 n PRO 49 N -1.12 -0.18 -2.10 4.82 -0.02 -1.26 -1.59 135.00 133.55 1xj1 n PRO 49 Ca -0.06 -0.02 -0.04 0.00 -2.02 0.00 0.00 63.50 61.36 1xj1 n PRO 49 Cb 0.59 -1.63 0.01 0.00 -0.02 0.00 0.00 33.50 32.45 1xj1 n PRO 49 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xj1 n PHE 50 N -3.24 -1.54 0.14 6.00 7.35 0.21 -4.55 117.46 121.84 1xj1 n PHE 50 Ca 0.05 -0.74 0.00 0.00 -0.76 0.00 0.00 57.45 56.00 1xj1 n PHE 50 Cb 0.54 0.37 0.00 0.00 0.35 0.00 0.00 39.48 40.74 1xj1 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1xj1 n ASP 51 N -1.21 -2.11 0.00 -2.13 2.03 -1.26 0.96 116.55 112.83 1xj1 n ASP 51 Ca -0.04 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1xj1 n ASP 51 Cb 0.24 2.12 0.00 0.00 -0.72 0.00 0.00 41.12 42.76 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89