#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 1.22 2.61 0.00 0.00 2.07 -0.37 -4.84 121.20 121.89 1xj1 s ILE 8 Ca -0.07 0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.37 1xj1 s ILE 8 Cb -0.05 -3.18 0.00 0.00 0.13 0.00 0.00 42.46 39.36 1xj1 s ILE 8 CO -0.14 -0.26 0.00 0.61 -1.91 0.00 0.00 174.94 173.24 1xj1 n GLY 9 N -3.12 0.16 2.92 1.50 0.00 -1.26 -4.21 105.19 101.17 1xj1 n GLY 9 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 0.91 -0.22 -1.08 1.61 -3.43 -1.26 -4.90 115.29 106.91 1xj1 s HIS 10 Ca 0.00 0.62 -0.01 0.00 -0.80 0.00 0.00 55.06 54.87 1xj1 s HIS 10 Cb 0.00 -0.12 -0.02 0.00 -1.43 0.00 0.00 32.58 31.02 1xj1 s HIS 10 CO 0.00 -0.23 0.91 0.66 -2.00 0.00 0.00 174.74 174.08 1xj1 n TYR 11 N 4.70 -2.09 -3.62 0.38 4.02 0.42 -5.00 117.16 115.95 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 0.51 -4.66 -0.00 0.00 -0.02 0.00 0.00 39.34 35.17 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 -5.03 2.36 -0.05 -0.72 -1.52 -0.88 -4.78 119.66 109.04 1xj1 s GLN 12 Ca 0.10 -1.78 -0.30 0.00 -1.95 0.00 0.00 55.36 51.44 1xj1 s GLN 12 Cb -0.01 -2.29 -0.02 0.00 -0.22 0.00 0.00 33.01 30.46 1xj1 s GLN 12 CO 0.68 -0.50 1.01 0.15 -0.25 0.00 0.00 175.29 176.38 1xj1 s LYS 13 N -4.29 4.48 -0.15 2.91 -0.14 -1.26 0.96 119.74 122.25 1xj1 s LYS 13 Ca 0.44 1.43 0.15 0.00 -1.36 0.00 0.00 55.97 56.63 1xj1 s LYS 13 Cb -0.03 -3.50 -0.21 0.00 -1.68 0.00 0.00 37.83 32.40 1xj1 s LYS 13 CO 0.27 -0.20 0.09 0.00 -0.76 0.00 0.00 175.35 174.74 1xj1 n VAL 15 N -2.57 0.98 -1.48 0.00 0.31 -1.24 -4.53 118.33 109.80 1xj1 n VAL 15 Ca -0.25 -0.59 -0.28 0.00 -0.01 0.00 0.00 64.34 63.20 1xj1 n VAL 15 Cb 0.99 -0.65 0.09 0.00 -0.91 0.00 0.00 33.84 33.36 1xj1 n VAL 15 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1xj1 n ASN 16 N -2.56 6.14 -3.63 4.52 2.85 -1.26 -4.97 115.26 116.35 1xj1 n ASN 16 Ca -0.24 -3.76 -0.03 0.00 -0.11 0.00 0.00 54.58 50.44 1xj1 n ASN 16 Cb 0.96 -0.79 -0.00 0.00 1.24 0.00 0.00 39.78 41.18 1xj1 n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xj1 s ALA 17 N -3.66 -1.61 0.00 5.20 0.00 -1.26 -4.89 121.76 115.54 1xj1 s ALA 17 Ca 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1xj1 s ALA 17 Cb 0.48 0.66 0.00 0.00 0.00 0.00 0.00 23.12 24.26 1xj1 s ALA 17 CO 0.02 -1.05 0.00 -3.47 0.00 0.00 0.00 175.76 171.26 1xj1 n ASP 18 N -0.68 0.71 -1.49 0.00 2.03 -1.26 -4.78 116.55 111.07 1xj1 n ASP 18 Ca -0.05 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.61 1xj1 n ASP 18 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1xj1 n ASP 18 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1xj1 n LYS 19 N -0.42 -4.21 -1.39 -0.67 5.02 -1.26 -4.95 118.16 110.29 1xj1 n LYS 19 Ca 0.00 3.07 -0.29 0.00 -2.02 0.00 0.00 58.31 59.07 1xj1 n LYS 19 Cb 0.00 -3.40 0.22 0.00 -0.02 0.00 0.00 35.03 31.83 1xj1 n LYS 19 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1xj1 n PRO 20 N -0.02 -2.22 -3.47 1.97 -0.04 -1.26 -4.74 135.00 125.21 1xj1 n PRO 20 Ca 0.00 -1.82 -0.39 0.00 -0.04 0.00 0.00 63.50 61.25 1xj1 n PRO 20 Cb 0.00 -1.46 -0.10 0.00 -0.04 0.00 0.00 33.50 31.91 1xj1 n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xj1 s SER 23 N -1.48 0.45 -1.07 0.00 0.01 -1.26 -4.18 113.70 106.16 1xj1 s SER 23 Ca 0.04 -0.05 -0.09 0.00 1.31 0.00 0.00 55.95 57.16 1xj1 s SER 23 Cb -0.00 -0.19 0.27 0.00 0.21 0.00 0.00 66.02 66.30 1xj1 s SER 23 CO 0.03 -0.06 1.05 -0.54 0.41 0.00 0.00 173.24 174.14 1xj1 s LYS 24 N 0.69 4.07 -0.12 12.44 3.01 0.24 -5.00 119.74 135.08 1xj1 s LYS 24 Ca -0.07 -3.16 0.01 0.00 -1.01 0.00 0.00 55.97 51.74 1xj1 s LYS 24 Cb -0.10 -4.49 0.02 0.00 -1.01 0.00 0.00 37.83 32.24 1xj1 s LYS 24 CO -0.01 -1.25 -0.15 -0.08 0.51 0.00 0.00 175.35 174.37 1xj1 s THR 25 N -1.16 1.53 -0.55 2.17 -1.32 -1.26 -0.14 115.64 114.91 1xj1 s THR 25 Ca 0.29 -0.64 -0.02 0.00 -1.21 0.00 0.00 61.69 60.11 1xj1 s THR 25 Cb -0.10 -1.41 0.34 0.00 -1.51 0.00 0.00 72.50 69.82 1xj1 s THR 25 CO -0.08 0.45 2.08 0.55 -2.21 0.00 0.00 174.62 175.40 1xj1 n VAL 26 N 4.41 3.33 -2.26 5.08 3.14 -1.26 -5.03 118.33 125.74 1xj1 n VAL 26 Ca -0.18 -2.62 0.10 0.00 -2.96 0.00 0.00 64.34 58.67 1xj1 n VAL 26 Cb 0.51 -1.25 -0.02 0.00 -1.06 0.00 0.00 33.84 32.01 1xj1 n VAL 26 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1xj1 n ARG 27 N -0.35 -1.44 -3.55 1.45 5.12 -1.26 -4.70 116.66 111.93 1xj1 n ARG 27 Ca 0.50 0.95 -0.36 0.00 -1.93 0.00 0.00 57.85 57.01 1xj1 n ARG 27 Cb 0.59 -1.75 -0.07 0.00 -1.16 0.00 0.00 32.46 30.06 1xj1 n ARG 27 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1xj1 s TYR 28 N -1.21 3.43 0.00 -1.55 1.51 -1.26 -4.85 117.35 113.42 1xj1 s TYR 28 Ca 0.00 0.54 0.00 0.00 -1.01 0.00 0.00 57.07 56.60 1xj1 s TYR 28 Cb 0.00 -2.34 0.00 0.00 -0.11 0.00 0.00 41.96 39.51 1xj1 s TYR 28 CO 0.00 0.20 0.00 0.41 -1.11 0.00 0.00 175.55 175.05 1xj1 n GLY 29 N 3.53 -0.12 1.78 0.71 0.00 -1.26 -5.09 105.19 104.74 1xj1 n GLY 29 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1xj1 n GLY 29 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xj1 n ASP 30 N -1.86 0.09 -3.56 1.61 2.03 -1.26 -5.13 116.55 108.47 1xj1 n ASP 30 Ca 0.00 0.34 -0.12 0.00 0.52 0.00 0.00 54.79 55.53 1xj1 n ASP 30 Cb 0.00 0.20 0.05 0.00 -0.72 0.00 0.00 41.12 40.66 1xj1 n ASP 30 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xj1 n SER 31 N -3.30 0.99 -4.32 1.67 7.64 -1.26 -5.07 113.62 109.97 1xj1 n SER 31 Ca 0.00 -1.76 -0.44 0.00 1.01 0.00 0.00 58.87 57.68 1xj1 n SER 31 Cb 0.00 -0.30 -0.07 0.00 -1.01 0.00 0.00 64.21 62.83 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 -3.70 2.85 -0.25 1.43 -0.14 -1.26 -4.90 119.74 113.78 1xj1 s LYS 32 Ca 0.36 -1.54 0.10 0.00 -1.36 0.00 0.00 55.97 53.53 1xj1 s LYS 32 Cb -0.02 -4.10 0.46 0.00 -1.68 0.00 0.00 37.83 32.49 1xj1 s LYS 32 CO 0.23 -1.14 1.33 0.09 -0.76 0.00 0.00 175.35 175.11 1xj1 n ASN 33 N 5.13 2.04 -4.77 2.83 5.03 -1.26 -5.04 115.26 119.22 1xj1 n ASN 33 Ca -0.12 -3.86 -0.39 0.00 0.87 0.00 0.00 54.58 51.08 1xj1 n ASN 33 Cb 0.42 -0.58 -0.06 0.00 -1.02 0.00 0.00 39.78 38.54 1xj1 n ASN 33 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1xj1 s VAL 34 N -3.25 4.25 -0.12 2.41 -7.23 -1.26 -4.07 120.40 111.12 1xj1 s VAL 34 Ca 0.41 1.82 -0.04 0.00 -1.81 0.00 0.00 61.98 62.37 1xj1 s VAL 34 Cb 0.39 -4.14 0.06 0.00 0.56 0.00 0.00 36.38 33.24 1xj1 s VAL 34 CO -0.04 0.39 0.13 -0.13 -0.31 0.00 0.00 175.10 175.13 1xj1 s ARG 35 N -1.47 0.04 -0.36 4.82 0.52 0.80 -4.62 118.95 118.69 1xj1 s ARG 35 Ca 0.42 0.26 -0.05 0.00 -0.52 0.00 0.00 55.73 55.84 1xj1 s ARG 35 Cb -0.22 -0.98 0.06 0.00 0.52 0.00 0.00 34.95 34.33 1xj1 s ARG 35 CO 0.27 -0.49 0.12 0.21 0.02 0.00 0.00 175.30 175.43 1xj1 s LYS 36 N 2.22 2.43 -0.72 3.54 2.47 -0.94 -0.59 119.74 128.15 1xj1 s LYS 36 Ca 0.04 -1.39 -0.27 0.00 -1.56 0.00 0.00 55.97 52.79 1xj1 s LYS 36 Cb -0.14 -3.46 0.03 0.00 -1.46 0.00 0.00 37.83 32.80 1xj1 s LYS 36 CO -0.07 -0.79 1.26 -0.06 0.16 0.00 0.00 175.35 175.85 1xj1 s PHE 37 N 1.31 2.33 0.43 4.03 0.40 -1.26 0.93 117.98 126.15 1xj1 s PHE 37 Ca 0.00 0.00 -0.06 0.00 -0.60 0.00 0.00 56.93 56.28 1xj1 s PHE 37 Cb -0.21 -4.61 0.10 0.00 0.51 0.00 0.00 43.02 38.81 1xj1 s PHE 37 CO 0.00 -2.01 0.58 1.51 0.70 0.00 0.00 175.22 176.01 1xj1 n ILE 38 N 6.41 0.00 -3.94 0.64 0.13 0.71 -4.70 119.36 118.62 1xj1 n ILE 38 Ca 0.04 -0.54 -0.31 0.00 -1.10 0.00 0.00 62.75 60.84 1xj1 n ILE 38 Cb 0.49 -1.60 -0.15 0.00 -0.84 0.00 0.00 39.64 37.54 1xj1 n ILE 38 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1xj1 s ASP 40 N 0.84 6.89 -0.15 0.00 1.01 -0.84 -4.92 116.67 119.50 1xj1 s ASP 40 Ca 0.12 1.09 0.18 0.00 0.71 0.00 0.00 52.55 54.65 1xj1 s ASP 40 Cb -0.20 -2.44 -0.25 0.00 1.01 0.00 0.00 42.92 41.04 1xj1 s ASP 40 CO -0.10 -0.43 0.23 -2.11 0.21 0.00 0.00 175.17 172.98 1xj1 n ARG 41 N 5.49 0.68 -0.34 8.23 -4.01 -1.26 -1.77 116.66 123.67 1xj1 n ARG 41 Ca 0.04 0.02 -0.00 0.00 -1.04 0.00 0.00 57.85 56.87 1xj1 n ARG 41 Cb 0.48 -1.57 0.13 0.00 -3.04 0.00 0.00 32.46 28.47 1xj1 n ARG 41 CO 0.00 0.00 0.00 0.22 -3.04 0.00 0.00 177.63 174.81 1xj1 h ASP 42 N 0.00 1.00 0.00 2.89 3.58 -1.99 -3.30 116.42 118.60 1xj1 h ASP 42 Ca -0.43 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1xj1 h ASP 42 Cb 2.05 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.88 1xj1 h ASP 42 CO 0.03 0.67 0.00 0.61 -2.88 0.00 0.00 179.24 177.67 1xj1 n GLY 43 N -1.35 0.13 0.85 -0.78 0.00 -1.26 -4.85 105.19 97.92 1xj1 n GLY 43 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 0.37 -3.38 1.61 1.02 -1.26 -5.02 120.64 113.98 1xj1 n GLU 44 Ca 0.00 -1.90 -0.19 0.00 -0.02 0.00 0.00 57.16 55.05 1xj1 n GLU 44 Cb 0.00 -0.58 0.05 0.00 -0.02 0.00 0.00 31.44 30.89 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 -0.14 -1.12 3.13 0.62 0.00 -0.82 -4.92 105.19 101.95 1xj1 n GLY 45 Ca 0.07 0.54 -0.11 0.00 0.00 0.00 0.00 46.02 46.52 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 -3.37 0.61 -0.26 1.61 -7.23 -0.73 -2.14 120.40 108.89 1xj1 s VAL 46 Ca 0.42 -1.71 -0.22 0.00 -1.81 0.00 0.00 61.98 58.66 1xj1 s VAL 46 Cb -0.09 -1.40 -0.01 0.00 0.56 0.00 0.00 36.38 35.44 1xj1 s VAL 46 CO 0.78 -0.77 0.72 0.00 -0.31 0.00 0.00 175.10 175.53 1xj1 s VAL 48 N 2.69 0.81 0.72 0.00 -7.23 -0.61 0.16 120.40 116.93 1xj1 s VAL 48 Ca 0.30 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.32 1xj1 s VAL 48 Cb -0.15 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 1xj1 s VAL 48 CO 0.08 -0.64 0.81 -2.65 -0.31 0.00 0.00 175.10 172.40 1xj1 n PRO 49 N -0.19 0.42 -3.53 4.82 -0.02 -1.26 -0.20 135.00 135.04 1xj1 n PRO 49 Ca -0.09 0.19 -0.11 0.00 -2.02 0.00 0.00 63.50 61.48 1xj1 n PRO 49 Cb 0.62 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 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 -1.86 -0.45 0.24 6.00 5.36 0.26 -4.58 117.98 122.96 1xj1 s PHE 50 Ca 0.70 0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.85 1xj1 s PHE 50 Cb -0.35 0.60 0.00 0.00 -0.34 0.00 0.00 43.02 42.93 1xj1 s PHE 50 CO 0.53 -0.94 0.00 -3.47 -1.46 0.00 0.00 175.22 169.88 1xj1 n ASP 51 N -0.40 -7.60 0.00 6.13 -0.08 -1.26 -2.21 116.55 111.13 1xj1 n ASP 51 Ca -0.14 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.26 1xj1 n ASP 51 Cb 0.63 -3.14 0.00 0.00 2.34 0.00 0.00 41.12 40.96 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93