#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 1.25 3.68 0.00 0.00 2.07 -0.49 -4.89 121.20 122.82 1xj1 s ILE 8 Ca -0.09 0.55 0.00 0.00 -1.41 0.00 0.00 60.65 59.70 1xj1 s ILE 8 Cb -0.09 -3.53 0.00 0.00 0.13 0.00 0.00 42.46 38.98 1xj1 s ILE 8 CO -0.10 -0.71 0.00 0.61 -1.91 0.00 0.00 174.94 172.83 1xj1 n GLY 9 N -2.92 0.24 3.51 1.50 0.00 -1.26 -4.65 105.19 101.62 1xj1 n GLY 9 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.97 -0.91 1.61 -3.43 -1.26 -4.98 115.29 105.35 1xj1 s HIS 10 Ca 0.00 1.89 -0.04 0.00 -0.80 0.00 0.00 55.06 56.11 1xj1 s HIS 10 Cb 0.00 0.54 -0.05 0.00 -1.43 0.00 0.00 32.58 31.64 1xj1 s HIS 10 CO 0.00 -0.50 0.81 0.66 -2.00 0.00 0.00 174.74 173.71 1xj1 n TYR 11 N 4.56 -2.48 -4.16 0.38 4.02 0.31 -5.01 117.16 114.78 1xj1 n TYR 11 Ca -0.19 0.89 -0.33 0.00 -0.01 0.00 0.00 57.90 58.26 1xj1 n TYR 11 Cb 0.56 -4.02 -0.08 0.00 -0.02 0.00 0.00 39.34 35.78 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 -3.93 2.98 -0.34 -0.72 2.00 -0.91 -4.77 119.66 113.96 1xj1 s GLN 12 Ca 0.31 -0.52 -0.29 0.00 -2.00 0.00 0.00 55.36 52.86 1xj1 s GLN 12 Cb -0.04 -2.80 0.02 0.00 0.80 0.00 0.00 33.01 30.99 1xj1 s GLN 12 CO 0.70 0.64 1.09 0.21 -0.50 0.00 0.00 175.29 177.43 1xj1 s LYS 13 N -1.67 4.02 -0.20 1.67 2.20 -1.26 0.12 119.74 124.62 1xj1 s LYS 13 Ca 0.22 1.01 0.13 0.00 -0.36 0.00 0.00 55.97 56.96 1xj1 s LYS 13 Cb -0.12 -3.76 0.43 0.00 -1.51 0.00 0.00 37.83 32.87 1xj1 s LYS 13 CO 0.13 -0.97 1.21 0.00 -0.36 0.00 0.00 175.35 175.35 1xj1 h VAL 15 N 2.02 0.68 0.00 0.00 2.07 -1.89 -3.37 116.25 115.75 1xj1 h VAL 15 Ca 0.02 -1.42 -0.20 0.00 0.82 0.00 0.00 66.70 65.92 1xj1 h VAL 15 Cb 1.20 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 1xj1 h VAL 15 CO 0.13 0.22 -2.06 0.59 0.02 0.00 0.00 177.57 176.48 1xj1 n ASN 16 N -4.76 0.17 -3.80 0.57 3.02 -1.26 -4.76 115.26 104.44 1xj1 n ASN 16 Ca -0.04 0.08 -0.30 0.00 -0.03 0.00 0.00 54.58 54.28 1xj1 n ASN 16 Cb 0.20 1.18 -0.14 0.00 -0.61 0.00 0.00 39.78 40.41 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 -2.94 2.33 0.32 5.41 0.00 -1.26 -5.11 121.76 120.51 1xj1 s ALA 17 Ca -0.08 -2.53 -0.27 0.00 0.00 0.00 0.00 51.96 49.08 1xj1 s ALA 17 Cb 0.09 -1.90 -0.09 0.00 0.00 0.00 0.00 23.12 21.22 1xj1 s ALA 17 CO 0.85 -1.93 1.01 0.34 0.00 0.00 0.00 175.76 176.02 1xj1 s ASP 18 N 0.55 7.23 0.21 0.00 2.15 -1.26 -4.21 116.67 121.34 1xj1 s ASP 18 Ca 0.15 2.01 -0.02 0.00 0.43 0.00 0.00 52.55 55.12 1xj1 s ASP 18 Cb -0.23 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 39.76 1xj1 s ASP 18 CO -0.05 -0.15 0.17 -0.54 -0.17 0.00 0.00 175.17 174.42 1xj1 s LYS 19 N -1.86 1.26 -0.20 4.34 3.01 -1.26 -5.09 119.74 119.94 1xj1 s LYS 19 Ca 0.49 -1.61 -0.29 0.00 -1.01 0.00 0.00 55.97 53.55 1xj1 s LYS 19 Cb -0.24 0.29 -0.01 0.00 -1.01 0.00 0.00 37.83 36.86 1xj1 s LYS 19 CO 0.30 -0.43 1.24 -1.25 0.51 0.00 0.00 175.35 175.73 1xj1 s PRO 20 N -4.11 4.18 -1.06 -1.68 0.04 -1.26 -4.97 135.00 126.13 1xj1 s PRO 20 Ca 0.38 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.86 1xj1 s PRO 20 Cb 0.06 -3.77 0.26 0.00 0.04 0.00 0.00 34.50 31.09 1xj1 s PRO 20 CO 0.12 -0.77 1.07 0.00 0.04 0.00 0.00 177.00 177.46 1xj1 s SER 23 N -2.91 5.86 -0.45 0.00 0.15 -1.26 -4.14 113.70 110.94 1xj1 s SER 23 Ca 0.56 0.20 -0.17 0.00 0.70 0.00 0.00 55.95 57.23 1xj1 s SER 23 Cb -0.10 -1.96 0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1xj1 s SER 23 CO 0.47 0.25 0.48 -0.54 1.20 0.00 0.00 173.24 175.09 1xj1 s LYS 24 N -0.06 3.08 -0.13 5.44 3.01 0.18 -4.94 119.74 126.32 1xj1 s LYS 24 Ca 0.08 -0.90 -0.02 0.00 -1.01 0.00 0.00 55.97 54.12 1xj1 s LYS 24 Cb -0.12 -4.03 -0.02 0.00 -1.01 0.00 0.00 37.83 32.65 1xj1 s LYS 24 CO 0.01 -0.98 -0.08 -0.08 0.51 0.00 0.00 175.35 174.72 1xj1 s THR 25 N 2.17 3.51 -0.79 2.17 -1.32 -1.26 -0.77 115.64 119.35 1xj1 s THR 25 Ca 0.11 -0.50 -0.03 0.00 -1.21 0.00 0.00 61.69 60.05 1xj1 s THR 25 Cb -0.19 -2.50 0.17 0.00 -1.51 0.00 0.00 72.50 68.47 1xj1 s THR 25 CO 0.12 0.52 2.41 1.33 -2.21 0.00 0.00 174.62 176.79 1xj1 n VAL 26 N 3.35 4.10 -1.40 5.08 0.24 -1.26 -4.99 118.33 123.45 1xj1 n VAL 26 Ca -0.18 -3.92 0.17 0.00 -2.04 0.00 0.00 64.34 58.38 1xj1 n VAL 26 Cb 0.53 -1.60 -0.09 0.00 -1.47 0.00 0.00 33.84 31.21 1xj1 n VAL 26 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1xj1 n ARG 27 N 0.60 -3.22 -4.63 7.34 0.63 -1.26 -4.94 116.66 111.17 1xj1 n ARG 27 Ca 0.53 2.61 -0.31 0.00 -0.92 0.00 0.00 57.85 59.76 1xj1 n ARG 27 Cb 0.38 -3.77 -0.13 0.00 0.45 0.00 0.00 32.46 29.40 1xj1 n ARG 27 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1xj1 s TYR 28 N -4.14 2.55 -0.03 -0.14 2.02 -1.26 -4.75 117.35 111.60 1xj1 s TYR 28 Ca 0.00 -0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.47 1xj1 s TYR 28 Cb 0.00 -1.45 0.07 0.00 -0.40 0.00 0.00 41.96 40.18 1xj1 s TYR 28 CO 0.00 0.26 1.06 0.41 -1.57 0.00 0.00 175.55 175.71 1xj1 n GLY 29 N 1.49 0.67 2.70 0.71 0.00 -1.26 -4.98 105.19 104.52 1xj1 n GLY 29 Ca -0.16 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.08 -5.84 -1.43 1.61 9.92 -1.26 -4.78 116.55 114.69 1xj1 n ASP 30 Ca -0.24 -0.16 -0.01 0.00 -0.53 0.00 0.00 54.79 53.84 1xj1 n ASP 30 Cb 0.75 -4.75 0.02 0.00 -0.64 0.00 0.00 41.12 36.50 1xj1 n ASP 30 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1xj1 n SER 31 N -2.09 -0.46 -2.55 -2.24 3.41 -1.26 -5.16 113.62 103.27 1xj1 n SER 31 Ca -0.17 -1.16 -0.11 0.00 -0.26 0.00 0.00 58.87 57.18 1xj1 n SER 31 Cb 0.64 0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.77 1xj1 n SER 31 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xj1 n LYS 32 N -0.34 0.58 -4.12 4.33 4.76 -1.26 -5.15 118.16 116.95 1xj1 n LYS 32 Ca -0.08 -2.15 -0.16 0.00 -2.87 0.00 0.00 58.31 53.05 1xj1 n LYS 32 Cb 0.55 2.11 -0.04 0.00 -1.84 0.00 0.00 35.03 35.80 1xj1 n LYS 32 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1xj1 s ASN 33 N -2.69 1.13 0.22 4.39 0.01 -1.26 -4.95 114.94 111.79 1xj1 s ASN 33 Ca 0.22 -1.57 0.05 0.00 -0.71 0.00 0.00 52.86 50.85 1xj1 s ASN 33 Cb -0.01 0.66 -0.03 0.00 0.41 0.00 0.00 41.25 42.28 1xj1 s ASN 33 CO 0.16 -1.28 0.28 0.54 -1.51 0.00 0.00 177.10 175.29 1xj1 s VAL 34 N -3.03 4.99 -0.25 1.60 0.11 -1.26 -4.32 120.40 118.24 1xj1 s VAL 34 Ca 0.32 -1.06 0.01 0.00 -2.93 0.00 0.00 61.98 58.33 1xj1 s VAL 34 Cb -0.00 -3.67 0.07 0.00 -1.53 0.00 0.00 36.38 31.25 1xj1 s VAL 34 CO 0.22 -0.28 -0.03 -0.60 -3.33 0.00 0.00 175.10 171.09 1xj1 s ARG 35 N -3.74 1.54 0.60 1.54 6.06 0.05 -4.74 118.95 120.26 1xj1 s ARG 35 Ca 0.33 -1.11 -0.05 0.00 -2.50 0.00 0.00 55.73 52.41 1xj1 s ARG 35 Cb -0.09 -2.61 0.02 0.00 0.06 0.00 0.00 34.95 32.33 1xj1 s ARG 35 CO 0.27 -0.67 0.89 0.21 -2.50 0.00 0.00 175.30 173.50 1xj1 s LYS 36 N 1.35 2.73 -0.18 5.12 2.20 -0.68 0.47 119.74 130.75 1xj1 s LYS 36 Ca -0.03 -0.19 -0.04 0.00 -0.36 0.00 0.00 55.97 55.35 1xj1 s LYS 36 Cb -0.19 -2.30 0.06 0.00 -1.51 0.00 0.00 37.83 33.90 1xj1 s LYS 36 CO -0.08 -0.78 0.08 -0.06 -0.36 0.00 0.00 175.35 174.14 1xj1 s PHE 37 N -2.98 0.44 0.12 4.03 0.40 -1.26 0.12 117.98 118.85 1xj1 s PHE 37 Ca 0.55 -0.50 0.03 0.00 -0.60 0.00 0.00 56.93 56.41 1xj1 s PHE 37 Cb -0.10 -0.80 -0.04 0.00 0.51 0.00 0.00 43.02 42.58 1xj1 s PHE 37 CO 0.44 -0.56 0.18 0.96 0.70 0.00 0.00 175.22 176.94 1xj1 s ILE 38 N 2.06 4.92 -0.82 0.64 -4.36 -0.25 -4.76 121.20 118.63 1xj1 s ILE 38 Ca 0.02 -0.77 -0.19 0.00 -0.26 0.00 0.00 60.65 59.44 1xj1 s ILE 38 Cb -0.16 -3.47 0.12 0.00 1.25 0.00 0.00 42.46 40.20 1xj1 s ILE 38 CO -0.10 -0.01 1.00 0.00 0.24 0.00 0.00 174.94 176.07 1xj1 s ASP 40 N 3.53 7.22 -0.16 0.00 2.15 0.12 -4.84 116.67 124.69 1xj1 s ASP 40 Ca 0.26 1.50 0.16 0.00 0.43 0.00 0.00 52.55 54.90 1xj1 s ASP 40 Cb -0.11 -2.54 0.34 0.00 -0.30 0.00 0.00 42.92 40.31 1xj1 s ASP 40 CO -0.03 -0.43 1.18 0.54 -0.17 0.00 0.00 175.17 176.25 1xj1 n ARG 41 N 4.98 1.39 -1.20 4.34 1.74 -1.26 -1.63 116.66 125.03 1xj1 n ARG 41 Ca 0.08 -2.85 -0.29 0.00 -0.77 0.00 0.00 57.85 54.02 1xj1 n ARG 41 Cb 0.49 -1.54 0.07 0.00 -1.02 0.00 0.00 32.46 30.46 1xj1 n ARG 41 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xj1 n ASP 42 N -1.32 7.19 0.00 0.55 2.03 -1.26 -4.60 116.55 119.14 1xj1 n ASP 42 Ca 0.17 -3.58 0.00 0.00 0.52 0.00 0.00 54.79 51.90 1xj1 n ASP 42 Cb 0.66 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 40.07 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 -0.59 -0.25 1.27 0.27 0.00 -1.26 -5.03 105.19 99.60 1xj1 n GLY 43 Ca 0.54 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 0.00 1.61 2.13 -1.26 -5.11 120.64 118.01 1xj1 n GLU 44 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xj1 n GLU 44 Cb 0.00 -0.23 0.00 0.00 0.27 0.00 0.00 31.44 31.48 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 3.01 0.44 3.19 8.31 0.00 -0.98 -4.93 105.19 114.22 1xj1 n GLY 45 Ca 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.17 0.17 -0.39 1.61 -7.23 -0.64 -2.31 120.40 111.44 1xj1 s VAL 46 Ca 0.00 -1.95 -0.19 0.00 -1.81 0.00 0.00 61.98 58.02 1xj1 s VAL 46 Cb 0.00 -2.25 0.01 0.00 0.56 0.00 0.00 36.38 34.70 1xj1 s VAL 46 CO 0.00 -0.28 0.56 0.00 -0.31 0.00 0.00 175.10 175.08 1xj1 s VAL 48 N 2.54 2.36 0.77 0.00 -7.23 -0.05 0.12 120.40 118.91 1xj1 s VAL 48 Ca 0.20 -2.32 -0.15 0.00 -1.81 0.00 0.00 61.98 57.90 1xj1 s VAL 48 Cb -0.15 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.35 1xj1 s VAL 48 CO 0.15 -0.32 0.73 -2.65 -0.31 0.00 0.00 175.10 172.71 1xj1 n PRO 49 N -0.69 0.24 -3.79 4.82 -0.02 -1.26 -1.09 135.00 133.20 1xj1 n PRO 49 Ca -0.05 0.13 -0.08 0.00 -2.02 0.00 0.00 63.50 61.48 1xj1 n PRO 49 Cb 0.62 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 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 -2.00 -0.24 -0.05 6.00 5.36 0.31 -4.64 117.98 122.72 1xj1 s PHE 50 Ca 0.67 -0.18 -0.04 0.00 -0.96 0.00 0.00 56.93 56.42 1xj1 s PHE 50 Cb -0.32 0.69 0.02 0.00 -0.34 0.00 0.00 43.02 43.07 1xj1 s PHE 50 CO 0.56 -1.18 0.08 -3.47 -1.46 0.00 0.00 175.22 169.76 1xj1 n ASP 51 N -0.45 -6.10 0.00 6.13 2.03 -1.26 -1.68 116.55 115.22 1xj1 n ASP 51 Ca -0.06 1.66 0.00 0.00 0.52 0.00 0.00 54.79 56.91 1xj1 n ASP 51 Cb 0.60 -5.02 0.00 0.00 -0.72 0.00 0.00 41.12 35.97 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89