#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 0.06 2.00 0.00 0.00 2.07 -0.82 -4.85 121.20 119.66 1xj1 s ILE 8 Ca -0.03 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 1xj1 s ILE 8 Cb -0.10 -2.98 0.00 0.00 0.13 0.00 0.00 42.46 39.51 1xj1 s ILE 8 CO 0.02 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 1xj1 n GLY 9 N -3.25 0.21 3.30 1.50 0.00 -1.26 -4.20 105.19 101.48 1xj1 n GLY 9 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 0.10 -0.66 -1.03 1.61 -3.43 -1.26 -4.93 115.29 105.70 1xj1 s HIS 10 Ca 0.00 1.38 -0.08 0.00 -0.80 0.00 0.00 55.06 55.56 1xj1 s HIS 10 Cb 0.00 0.30 -0.05 0.00 -1.43 0.00 0.00 32.58 31.39 1xj1 s HIS 10 CO 0.00 -0.37 0.87 0.66 -2.00 0.00 0.00 174.74 173.90 1xj1 n TYR 11 N 4.42 -2.44 -4.12 0.38 4.02 0.28 -5.01 117.16 114.69 1xj1 n TYR 11 Ca -0.21 0.83 -0.28 0.00 -0.01 0.00 0.00 57.90 58.23 1xj1 n TYR 11 Cb 0.55 -4.01 -0.07 0.00 -0.02 0.00 0.00 39.34 35.79 1xj1 n TYR 11 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1xj1 s GLN 12 N -4.48 2.69 -0.20 -0.72 -1.52 -0.91 -4.78 119.66 109.74 1xj1 s GLN 12 Ca 0.41 -0.88 -0.29 0.00 -1.95 0.00 0.00 55.36 52.64 1xj1 s GLN 12 Cb -0.07 -2.57 0.00 0.00 -0.22 0.00 0.00 33.01 30.16 1xj1 s GLN 12 CO 0.76 0.51 1.05 0.15 -0.25 0.00 0.00 175.29 177.50 1xj1 s LYS 13 N -2.74 4.29 -0.02 2.91 1.02 -1.26 0.14 119.74 124.08 1xj1 s LYS 13 Ca 0.28 1.38 0.01 0.00 0.02 0.00 0.00 55.97 57.67 1xj1 s LYS 13 Cb -0.11 -3.63 -0.26 0.00 -0.52 0.00 0.00 37.83 33.32 1xj1 s LYS 13 CO 0.21 -0.58 0.76 0.00 -0.92 0.00 0.00 175.35 174.82 1xj1 h VAL 15 N 0.05 1.26 -0.75 0.00 2.07 -1.92 -2.95 116.25 114.01 1xj1 h VAL 15 Ca -0.26 -1.22 -0.46 0.00 0.82 0.00 0.00 66.70 65.58 1xj1 h VAL 15 Cb 2.00 1.23 -0.26 0.00 -1.52 0.00 0.00 31.29 32.74 1xj1 h VAL 15 CO 0.13 0.40 0.21 0.59 0.02 0.00 0.00 177.57 178.91 1xj1 n ASN 16 N -4.14 4.70 -3.63 0.57 3.02 -1.26 -4.95 115.26 109.57 1xj1 n ASN 16 Ca 0.00 -3.75 -0.07 0.00 -0.03 0.00 0.00 54.58 50.73 1xj1 n ASN 16 Cb 0.39 -0.72 -0.07 0.00 -0.61 0.00 0.00 39.78 38.77 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 -3.50 -2.05 -0.48 5.41 0.00 -1.11 -4.95 121.76 115.08 1xj1 s ALA 17 Ca 0.54 1.78 0.03 0.00 0.00 0.00 0.00 51.96 54.32 1xj1 s ALA 17 Cb 0.45 -1.45 0.13 0.00 0.00 0.00 0.00 23.12 22.26 1xj1 s ALA 17 CO 0.03 -0.21 0.24 -0.51 0.00 0.00 0.00 175.76 175.31 1xj1 s ASP 18 N -0.08 4.13 -0.24 0.00 1.11 -1.26 -4.51 116.67 115.81 1xj1 s ASP 18 Ca 0.04 -2.84 -0.20 0.00 0.18 0.00 0.00 52.55 49.73 1xj1 s ASP 18 Cb -0.04 -1.45 0.07 0.00 1.07 0.00 0.00 42.92 42.57 1xj1 s ASP 18 CO -0.08 -0.25 0.63 -1.59 1.18 0.00 0.00 175.17 175.06 1xj1 s LYS 19 N -0.02 0.71 0.50 8.23 -2.85 -1.26 -4.92 119.74 120.13 1xj1 s LYS 19 Ca 0.17 0.94 -0.22 0.00 -1.00 0.00 0.00 55.97 55.86 1xj1 s LYS 19 Cb -0.25 0.29 -0.08 0.00 -2.06 0.00 0.00 37.83 35.73 1xj1 s LYS 19 CO -0.01 -0.11 1.10 -2.30 0.10 0.00 0.00 175.35 174.14 1xj1 n PRO 20 N 3.18 1.36 -2.85 1.78 -0.02 -1.25 -4.76 135.00 132.44 1xj1 n PRO 20 Ca -0.16 0.50 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 1xj1 n PRO 20 Cb 0.56 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 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 -2.20 -0.26 0.41 0.00 1.04 -1.26 -3.30 113.70 108.12 1xj1 s SER 23 Ca 0.54 0.68 -0.14 0.00 0.48 0.00 0.00 55.95 57.52 1xj1 s SER 23 Cb -0.12 0.62 -0.08 0.00 0.10 0.00 0.00 66.02 66.54 1xj1 s SER 23 CO 0.54 -0.19 0.82 -0.54 0.98 0.00 0.00 173.24 174.86 1xj1 s LYS 24 N 1.54 3.91 -0.32 4.02 1.02 0.22 -4.90 119.74 125.23 1xj1 s LYS 24 Ca -0.08 0.67 0.02 0.00 0.02 0.00 0.00 55.97 56.61 1xj1 s LYS 24 Cb -0.10 -2.33 0.16 0.00 -0.52 0.00 0.00 37.83 35.03 1xj1 s LYS 24 CO -0.10 -0.03 0.40 -0.08 -0.92 0.00 0.00 175.35 174.61 1xj1 s THR 25 N -2.31 -0.54 -0.08 2.17 -1.32 -1.26 -0.01 115.64 112.28 1xj1 s THR 25 Ca 0.54 -0.49 -0.01 0.00 -1.21 0.00 0.00 61.69 60.53 1xj1 s THR 25 Cb -0.10 -0.84 -0.03 0.00 -1.51 0.00 0.00 72.50 70.02 1xj1 s THR 25 CO 0.26 -0.37 -0.03 0.54 -2.21 0.00 0.00 174.62 172.81 1xj1 s VAL 26 N 2.18 4.00 -0.12 5.08 0.11 -0.87 -5.00 120.40 125.78 1xj1 s VAL 26 Ca 0.12 -0.36 -0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1xj1 s VAL 26 Cb -0.13 -2.67 0.02 0.00 -1.53 0.00 0.00 36.38 32.08 1xj1 s VAL 26 CO -0.22 0.60 -0.10 0.00 -3.33 0.00 0.00 175.10 172.05 1xj1 s ARG 27 N -0.77 1.75 0.00 1.54 1.70 -1.26 -3.01 118.95 118.90 1xj1 s ARG 27 Ca 0.12 -0.34 0.00 0.00 -0.47 0.00 0.00 55.73 55.04 1xj1 s ARG 27 Cb -0.11 -1.73 0.00 0.00 -0.57 0.00 0.00 34.95 32.53 1xj1 s ARG 27 CO 0.02 -0.25 0.00 0.98 -1.08 0.00 0.00 175.30 174.96 1xj1 n TYR 28 N 4.88 0.00 -2.62 5.89 9.36 -1.26 -5.11 117.16 128.30 1xj1 n TYR 28 Ca -0.14 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.08 1xj1 n TYR 28 Cb 0.50 0.27 0.00 0.00 -0.63 0.00 0.00 39.34 39.48 1xj1 n TYR 28 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xj1 n GLY 29 N 2.08 4.60 0.20 2.98 0.00 -1.26 -5.05 105.19 108.74 1xj1 n GLY 29 Ca 0.00 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 1xj1 n GLY 29 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xj1 h ASP 30 N 0.00 -0.36 -2.89 1.61 1.82 -2.03 -3.42 116.42 111.16 1xj1 h ASP 30 Ca 0.00 -0.11 -0.55 0.00 -0.39 0.00 0.00 57.03 55.98 1xj1 h ASP 30 Cb 0.00 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 1xj1 h ASP 30 CO 0.00 -0.09 0.85 -0.55 -1.61 0.00 0.00 179.24 177.84 1xj1 s SER 31 N -4.98 6.85 0.17 2.28 0.15 -1.26 -4.99 113.70 111.92 1xj1 s SER 31 Ca -0.15 2.07 -0.29 0.00 0.70 0.00 0.00 55.95 58.28 1xj1 s SER 31 Cb 0.03 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.71 1xj1 s SER 31 CO 0.59 -0.73 0.92 -0.75 1.20 0.00 0.00 173.24 174.47 1xj1 s LYS 32 N 2.63 4.75 -0.49 5.44 2.20 -1.26 -4.76 119.74 128.24 1xj1 s LYS 32 Ca 0.63 1.42 -0.01 0.00 -0.36 0.00 0.00 55.97 57.65 1xj1 s LYS 32 Cb -0.30 -3.32 0.13 0.00 -1.51 0.00 0.00 37.83 32.83 1xj1 s LYS 32 CO 0.25 0.39 0.28 1.21 -0.36 0.00 0.00 175.35 177.12 1xj1 s ASN 33 N -0.66 5.04 -0.28 1.43 3.84 -1.16 -5.06 114.94 118.09 1xj1 s ASN 33 Ca 0.43 -2.49 -0.04 0.00 0.21 0.00 0.00 52.86 50.97 1xj1 s ASN 33 Cb -0.24 -1.78 0.03 0.00 -0.55 0.00 0.00 41.25 38.70 1xj1 s ASN 33 CO 0.30 -0.41 0.01 0.54 -2.79 0.00 0.00 177.10 174.75 1xj1 s VAL 34 N 0.47 3.34 -0.60 -5.21 0.11 -1.26 -2.04 120.40 115.20 1xj1 s VAL 34 Ca 0.13 -1.00 -0.20 0.00 -2.93 0.00 0.00 61.98 57.98 1xj1 s VAL 34 Cb -0.22 -2.77 0.09 0.00 -1.53 0.00 0.00 36.38 31.95 1xj1 s VAL 34 CO -0.04 0.06 0.76 -0.60 -3.33 0.00 0.00 175.10 171.96 1xj1 s ARG 35 N 1.37 3.08 -0.48 1.54 6.06 0.98 -4.69 118.95 126.82 1xj1 s ARG 35 Ca -0.00 -1.12 -0.16 0.00 -2.50 0.00 0.00 55.73 51.95 1xj1 s ARG 35 Cb -0.18 -4.23 0.07 0.00 0.06 0.00 0.00 34.95 30.67 1xj1 s ARG 35 CO -0.01 -1.56 0.45 0.21 -2.50 0.00 0.00 175.30 171.89 1xj1 s LYS 36 N 3.04 3.01 0.39 5.12 2.47 -0.74 -0.61 119.74 132.42 1xj1 s LYS 36 Ca 0.15 -1.23 -0.23 0.00 -1.56 0.00 0.00 55.97 53.10 1xj1 s LYS 36 Cb -0.21 -4.12 -0.10 0.00 -1.46 0.00 0.00 37.83 31.93 1xj1 s LYS 36 CO 0.08 -1.07 0.95 -0.06 0.16 0.00 0.00 175.35 175.42 1xj1 s PHE 37 N 1.89 3.47 0.04 4.03 0.40 -1.21 0.11 117.98 126.70 1xj1 s PHE 37 Ca 0.07 1.68 0.02 0.00 -0.60 0.00 0.00 56.93 58.10 1xj1 s PHE 37 Cb -0.23 -2.89 -0.02 0.00 0.51 0.00 0.00 43.02 40.39 1xj1 s PHE 37 CO 0.08 0.01 -0.08 0.96 0.70 0.00 0.00 175.22 176.90 1xj1 s ILE 38 N -1.94 0.53 -0.50 0.64 -5.25 -0.12 -4.75 121.20 109.81 1xj1 s ILE 38 Ca 0.57 -0.98 -0.17 0.00 -0.99 0.00 0.00 60.65 59.07 1xj1 s ILE 38 Cb -0.13 -0.58 0.07 0.00 2.95 0.00 0.00 42.46 44.77 1xj1 s ILE 38 CO 0.18 -0.32 0.53 0.00 -1.79 0.00 0.00 174.94 173.53 1xj1 s ASP 40 N 2.74 5.61 -0.09 0.00 1.11 -0.99 -4.92 116.67 120.13 1xj1 s ASP 40 Ca 0.10 -0.38 0.08 0.00 0.18 0.00 0.00 52.55 52.52 1xj1 s ASP 40 Cb -0.22 -2.02 -0.11 0.00 1.07 0.00 0.00 42.92 41.64 1xj1 s ASP 40 CO 0.09 -0.15 0.03 -2.11 1.18 0.00 0.00 175.17 174.21 1xj1 n ARG 41 N 5.00 2.47 0.26 8.23 1.85 -1.26 -1.78 116.66 131.43 1xj1 n ARG 41 Ca -0.14 -0.00 0.15 0.00 -1.00 0.00 0.00 57.85 56.86 1xj1 n ARG 41 Cb 0.50 -1.23 0.86 0.00 -1.05 0.00 0.00 32.46 31.54 1xj1 n ARG 41 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1xj1 h ASP 42 N 0.00 0.00 0.04 2.89 1.82 -2.00 -2.93 116.42 116.24 1xj1 h ASP 42 Ca -0.24 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.02 1xj1 h ASP 42 Cb 1.55 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.51 1xj1 h ASP 42 CO 0.01 0.00 -2.17 0.61 -1.61 0.00 0.00 179.24 176.08 1xj1 n GLY 43 N -1.37 -0.51 1.08 -0.78 0.00 -1.26 -5.01 105.19 97.34 1xj1 n GLY 43 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.70 0.00 0.00 1.61 4.07 -1.11 -5.10 120.64 116.42 1xj1 n GLU 44 Ca -0.41 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.69 1xj1 n GLU 44 Cb 0.94 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.32 1xj1 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xj1 n GLY 45 N -0.07 0.00 3.12 8.31 0.00 -0.73 -4.79 105.19 111.02 1xj1 n GLY 45 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.12 -0.36 1.61 1.01 -0.83 -2.37 120.40 119.58 1xj1 s VAL 46 Ca 0.00 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 1xj1 s VAL 46 Cb 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 1xj1 s VAL 46 CO 0.00 -0.55 0.36 0.00 0.00 0.00 0.00 175.10 174.91 1xj1 s VAL 48 N 1.97 2.06 0.93 0.00 -7.23 -0.72 0.10 120.40 117.51 1xj1 s VAL 48 Ca 0.10 -2.18 -0.12 0.00 -1.81 0.00 0.00 61.98 57.97 1xj1 s VAL 48 Cb -0.17 -2.59 0.07 0.00 0.56 0.00 0.00 36.38 34.26 1xj1 s VAL 48 CO 0.12 -0.23 0.67 -2.65 -0.31 0.00 0.00 175.10 172.69 1xj1 n PRO 49 N -0.73 -0.32 -3.44 4.82 -0.02 -1.26 -0.95 135.00 133.10 1xj1 n PRO 49 Ca -0.05 -0.04 -0.12 0.00 -2.02 0.00 0.00 63.50 61.27 1xj1 n PRO 49 Cb 0.63 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 32.06 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 -2.46 -0.52 -0.35 6.00 5.36 0.31 -4.63 117.98 121.69 1xj1 s PHE 50 Ca 0.61 0.30 -0.07 0.00 -0.96 0.00 0.00 56.93 56.81 1xj1 s PHE 50 Cb -0.22 0.56 0.01 0.00 -0.34 0.00 0.00 43.02 43.03 1xj1 s PHE 50 CO 0.64 -0.86 0.23 -0.25 -1.46 0.00 0.00 175.22 173.52 1xj1 n ASP 51 N -0.38 -7.94 0.00 6.13 8.00 -1.26 -1.79 116.55 119.31 1xj1 n ASP 51 Ca -0.17 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.39 1xj1 n ASP 51 Cb 0.65 -5.19 0.00 0.00 -0.02 0.00 0.00 41.12 36.55 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42