#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 0.09 2.49 0.00 0.00 2.07 -0.90 -4.82 121.20 120.13 1xj1 s ILE 8 Ca 0.19 0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.59 1xj1 s ILE 8 Cb -0.14 -3.14 0.00 0.00 0.13 0.00 0.00 42.46 39.31 1xj1 s ILE 8 CO 0.07 -0.21 0.00 0.61 -1.91 0.00 0.00 174.94 173.50 1xj1 n GLY 9 N -3.16 -0.02 3.64 1.50 0.00 -1.26 -3.63 105.19 102.26 1xj1 n GLY 9 Ca 0.08 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 -0.01 -0.93 -0.85 1.61 -3.43 -1.26 -4.88 115.29 105.53 1xj1 s HIS 10 Ca 0.00 1.92 -0.03 0.00 -0.80 0.00 0.00 55.06 56.15 1xj1 s HIS 10 Cb 0.00 0.53 -0.03 0.00 -1.43 0.00 0.00 32.58 31.65 1xj1 s HIS 10 CO 0.00 -0.46 0.77 0.66 -2.00 0.00 0.00 174.74 173.71 1xj1 n TYR 11 N 3.93 -2.66 -4.99 0.38 4.02 0.33 -5.01 117.16 113.15 1xj1 n TYR 11 Ca -0.19 0.98 -0.29 0.00 -0.01 0.00 0.00 57.90 58.40 1xj1 n TYR 11 Cb 0.58 -4.05 -0.15 0.00 -0.02 0.00 0.00 39.34 35.70 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 -3.60 1.77 -0.32 -0.72 -1.52 -0.94 -4.83 119.66 109.50 1xj1 s GLN 12 Ca 0.20 -0.93 -0.29 0.00 -1.95 0.00 0.00 55.36 52.39 1xj1 s GLN 12 Cb -0.03 -1.80 0.02 0.00 -0.22 0.00 0.00 33.01 30.98 1xj1 s GLN 12 CO 0.72 0.48 1.09 -1.59 -0.25 0.00 0.00 175.29 175.74 1xj1 s LYS 13 N -0.85 4.06 -0.23 2.91 -2.85 -1.26 0.14 119.74 121.65 1xj1 s LYS 13 Ca 0.09 1.08 0.13 0.00 -1.00 0.00 0.00 55.97 56.28 1xj1 s LYS 13 Cb -0.09 -3.75 0.51 0.00 -2.06 0.00 0.00 37.83 32.44 1xj1 s LYS 13 CO 0.00 -0.92 1.44 0.00 0.10 0.00 0.00 175.35 175.98 1xj1 h VAL 15 N 1.36 0.57 -0.94 0.00 2.07 -1.90 -3.35 116.25 114.05 1xj1 h VAL 15 Ca 0.11 -1.22 -0.51 0.00 0.82 0.00 0.00 66.70 65.90 1xj1 h VAL 15 Cb 1.55 1.02 -0.29 0.00 -1.52 0.00 0.00 31.29 32.05 1xj1 h VAL 15 CO 0.31 0.17 0.61 -3.20 0.02 0.00 0.00 177.57 175.48 1xj1 n ASN 16 N -4.84 4.02 -3.40 0.57 2.85 -1.26 -4.83 115.26 108.35 1xj1 n ASN 16 Ca -0.05 -3.64 0.02 0.00 -0.11 0.00 0.00 54.58 50.79 1xj1 n ASN 16 Cb 0.20 -0.83 -0.03 0.00 1.24 0.00 0.00 39.78 40.35 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 -3.35 -2.29 -0.66 5.20 0.00 -1.26 -5.11 121.76 114.29 1xj1 s ALA 17 Ca 0.57 2.07 -0.24 0.00 0.00 0.00 0.00 51.96 54.36 1xj1 s ALA 17 Cb 0.48 -2.00 0.06 0.00 0.00 0.00 0.00 23.12 21.65 1xj1 s ALA 17 CO 0.09 -1.12 1.04 -0.51 0.00 0.00 0.00 175.76 175.27 1xj1 s ASP 18 N 2.84 6.19 -0.01 0.00 1.11 -1.26 -4.49 116.67 121.05 1xj1 s ASP 18 Ca 0.05 -0.76 -0.02 0.00 0.18 0.00 0.00 52.55 51.99 1xj1 s ASP 18 Cb -0.12 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.41 1xj1 s ASP 18 CO -0.19 -1.52 0.06 -0.54 1.18 0.00 0.00 175.17 174.16 1xj1 s LYS 19 N 4.48 0.16 0.37 8.23 1.02 -1.26 -5.15 119.74 127.58 1xj1 s LYS 19 Ca 0.27 -0.07 -0.26 0.00 0.02 0.00 0.00 55.97 55.93 1xj1 s LYS 19 Cb -0.14 0.07 -0.09 0.00 -0.52 0.00 0.00 37.83 37.15 1xj1 s LYS 19 CO 0.13 -0.03 1.08 -1.25 -0.92 0.00 0.00 175.35 174.36 1xj1 s PRO 20 N -0.35 4.27 -0.57 -1.68 0.04 -1.25 -4.95 135.00 130.51 1xj1 s PRO 20 Ca -0.04 1.63 -0.20 0.00 0.04 0.00 0.00 61.00 62.43 1xj1 s PRO 20 Cb -0.03 -2.73 0.08 0.00 0.04 0.00 0.00 34.50 31.87 1xj1 s PRO 20 CO 0.00 -0.07 0.74 0.00 0.04 0.00 0.00 177.00 177.71 1xj1 s SER 23 N -2.14 5.09 -0.19 0.00 0.01 -1.26 -4.54 113.70 110.67 1xj1 s SER 23 Ca 0.73 -0.40 -0.04 0.00 1.31 0.00 0.00 55.95 57.55 1xj1 s SER 23 Cb -0.27 -1.17 0.06 0.00 0.21 0.00 0.00 66.02 64.86 1xj1 s SER 23 CO 0.44 -0.00 0.07 -0.54 0.41 0.00 0.00 173.24 173.62 1xj1 s LYS 24 N -3.62 0.26 -0.32 12.44 1.02 -1.02 -5.01 119.74 123.49 1xj1 s LYS 24 Ca 0.32 -0.23 -0.25 0.00 0.02 0.00 0.00 55.97 55.82 1xj1 s LYS 24 Cb -0.08 -1.89 0.01 0.00 -0.52 0.00 0.00 37.83 35.35 1xj1 s LYS 24 CO 0.22 -0.68 0.89 0.95 -0.92 0.00 0.00 175.35 175.81 1xj1 s THR 25 N 2.04 4.67 0.25 2.17 -4.23 -1.26 -1.68 115.64 117.60 1xj1 s THR 25 Ca 0.02 1.32 0.00 0.00 -1.18 0.00 0.00 61.69 61.84 1xj1 s THR 25 Cb -0.16 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.42 1xj1 s THR 25 CO -0.10 -0.38 0.00 0.52 -0.54 0.00 0.00 174.62 174.12 1xj1 n VAL 26 N 5.72 -7.16 -1.47 2.29 0.31 -1.16 -4.75 118.33 112.10 1xj1 n VAL 26 Ca 0.07 2.30 -0.28 0.00 -0.01 0.00 0.00 64.34 66.41 1xj1 n VAL 26 Cb 0.48 -3.63 -0.02 0.00 -0.91 0.00 0.00 33.84 29.76 1xj1 n VAL 26 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1xj1 n ARG 27 N 0.75 2.40 -1.45 5.55 0.63 -1.26 -4.98 116.66 118.29 1xj1 n ARG 27 Ca 0.00 -2.51 0.10 0.00 -0.92 0.00 0.00 57.85 54.52 1xj1 n ARG 27 Cb 0.00 -2.10 -0.06 0.00 0.45 0.00 0.00 32.46 30.75 1xj1 n ARG 27 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1xj1 n TYR 28 N 0.43 -3.94 0.00 -0.14 4.19 -1.26 -4.90 117.16 111.53 1xj1 n TYR 28 Ca 0.48 2.16 0.00 0.00 3.31 0.00 0.00 57.90 63.85 1xj1 n TYR 28 Cb 0.50 -3.48 0.00 0.00 0.49 0.00 0.00 39.34 36.85 1xj1 n TYR 28 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1xj1 n GLY 29 N -3.62 0.78 3.76 2.98 0.00 -1.26 -4.88 105.19 102.95 1xj1 n GLY 29 Ca -0.06 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 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 -4.00 5.61 0.37 1.61 2.15 -1.26 -4.95 116.67 116.20 1xj1 s ASP 30 Ca 0.00 2.81 -0.26 0.00 0.43 0.00 0.00 52.55 55.53 1xj1 s ASP 30 Cb 0.00 -2.64 -0.09 0.00 -0.30 0.00 0.00 42.92 39.89 1xj1 s ASP 30 CO 0.00 -1.34 1.21 -0.55 -0.17 0.00 0.00 175.17 174.31 1xj1 s SER 31 N -0.76 6.63 0.32 -0.34 0.15 -1.26 -4.73 113.70 113.70 1xj1 s SER 31 Ca 0.66 2.45 -0.08 0.00 0.70 0.00 0.00 55.95 59.69 1xj1 s SER 31 Cb -0.41 -2.63 0.03 0.00 -1.71 0.00 0.00 66.02 61.30 1xj1 s SER 31 CO 0.51 -0.61 0.56 0.29 1.20 0.00 0.00 173.24 175.19 1xj1 n LYS 32 N 0.36 0.80 -1.33 5.44 5.02 -1.26 -5.09 118.16 122.09 1xj1 n LYS 32 Ca 0.03 -2.13 -0.20 0.00 -2.02 0.00 0.00 58.31 53.98 1xj1 n LYS 32 Cb 0.45 2.35 0.14 0.00 -0.02 0.00 0.00 35.03 37.95 1xj1 n LYS 32 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xj1 n ASN 33 N -1.56 0.08 -4.84 4.39 0.23 -1.26 -4.49 115.26 107.80 1xj1 n ASN 33 Ca -0.04 -1.34 -0.32 0.00 -0.53 0.00 0.00 54.58 52.35 1xj1 n ASN 33 Cb 0.51 -0.70 -0.03 0.00 -2.08 0.00 0.00 39.78 37.47 1xj1 n ASN 33 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1xj1 s VAL 34 N -3.00 4.53 -0.50 3.53 0.11 -1.26 -3.00 120.40 120.81 1xj1 s VAL 34 Ca 0.52 1.19 0.02 0.00 -2.93 0.00 0.00 61.98 60.78 1xj1 s VAL 34 Cb -0.01 -3.73 0.13 0.00 -1.53 0.00 0.00 36.38 31.24 1xj1 s VAL 34 CO 0.37 -0.72 0.26 -0.60 -3.33 0.00 0.00 175.10 171.08 1xj1 s ARG 35 N -4.15 2.04 0.74 1.54 6.06 -0.67 -4.88 118.95 119.62 1xj1 s ARG 35 Ca 0.59 -2.39 -0.12 0.00 -2.50 0.00 0.00 55.73 51.31 1xj1 s ARG 35 Cb -0.10 -3.43 0.04 0.00 0.06 0.00 0.00 34.95 31.52 1xj1 s ARG 35 CO 0.33 -1.09 1.13 0.21 -2.50 0.00 0.00 175.30 173.38 1xj1 s LYS 36 N 0.12 2.54 -0.23 5.12 2.47 -0.73 -2.43 119.74 126.60 1xj1 s LYS 36 Ca 0.15 0.34 -0.04 0.00 -1.56 0.00 0.00 55.97 54.86 1xj1 s LYS 36 Cb -0.23 -2.00 0.09 0.00 -1.46 0.00 0.00 37.83 34.24 1xj1 s LYS 36 CO -0.03 -1.24 0.18 -0.06 0.16 0.00 0.00 175.35 174.36 1xj1 s PHE 37 N -3.44 -0.06 -0.00 4.03 0.08 -1.26 0.12 117.98 117.45 1xj1 s PHE 37 Ca 0.60 -0.23 -0.02 0.00 0.12 0.00 0.00 56.93 57.39 1xj1 s PHE 37 Cb -0.11 -0.58 -0.04 0.00 -0.57 0.00 0.00 43.02 41.72 1xj1 s PHE 37 CO 0.51 -0.69 0.17 0.96 -0.10 0.00 0.00 175.22 176.08 1xj1 s ILE 38 N 2.23 5.35 -0.69 0.64 -4.36 -0.72 -4.66 121.20 119.00 1xj1 s ILE 38 Ca 0.07 -0.21 -0.25 0.00 -0.26 0.00 0.00 60.65 59.99 1xj1 s ILE 38 Cb -0.16 -3.50 0.04 0.00 1.25 0.00 0.00 42.46 40.09 1xj1 s ILE 38 CO -0.20 0.31 1.14 0.00 0.24 0.00 0.00 174.94 176.43 1xj1 s ASP 40 N 3.61 6.68 -0.17 0.00 -1.08 0.17 -4.89 116.67 120.98 1xj1 s ASP 40 Ca 0.31 0.71 0.15 0.00 -0.52 0.00 0.00 52.55 53.20 1xj1 s ASP 40 Cb -0.11 -2.41 0.36 0.00 -1.46 0.00 0.00 42.92 39.30 1xj1 s ASP 40 CO 0.14 -0.58 1.19 -1.14 0.52 0.00 0.00 175.17 175.30 1xj1 n ARG 41 N 6.14 1.47 0.12 4.34 0.63 -1.26 -1.31 116.66 126.78 1xj1 n ARG 41 Ca 0.04 -2.91 -0.00 0.00 -0.92 0.00 0.00 57.85 54.05 1xj1 n ARG 41 Cb 0.48 -1.57 0.01 0.00 0.45 0.00 0.00 32.46 31.83 1xj1 n ARG 41 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1xj1 h ASP 42 N 0.49 0.00 0.00 6.15 3.32 -1.97 -3.43 116.42 120.99 1xj1 h ASP 42 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1xj1 h ASP 42 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1xj1 h ASP 42 CO 0.02 0.65 0.00 0.61 -1.72 0.00 0.00 179.24 178.80 1xj1 n GLY 43 N 1.17 -0.06 0.66 2.75 0.00 -1.26 -5.04 105.19 103.41 1xj1 n GLY 43 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.48 0.01 0.00 1.61 0.00 -1.26 -5.10 120.64 112.41 1xj1 n GLU 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1xj1 n GLU 44 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 31.44 31.23 1xj1 n GLU 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xj1 n GLY 45 N 2.80 -0.08 3.21 8.31 0.00 -1.02 -4.86 105.19 113.55 1xj1 n GLY 45 Ca -0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 1.01 -0.29 1.61 -7.23 -0.43 -2.11 120.40 112.97 1xj1 s VAL 46 Ca 0.00 -1.85 -0.20 0.00 -1.81 0.00 0.00 61.98 58.12 1xj1 s VAL 46 Cb 0.00 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 35.33 1xj1 s VAL 46 CO 0.00 -0.67 0.62 0.00 -0.31 0.00 0.00 175.10 174.74 1xj1 s VAL 48 N 2.56 2.38 0.59 0.00 -7.23 -0.62 0.12 120.40 118.20 1xj1 s VAL 48 Ca 0.25 -2.33 -0.18 0.00 -1.81 0.00 0.00 61.98 57.91 1xj1 s VAL 48 Cb -0.15 -2.43 -0.07 0.00 0.56 0.00 0.00 36.38 34.29 1xj1 s VAL 48 CO 0.11 -0.33 0.70 -2.65 -0.31 0.00 0.00 175.10 172.62 1xj1 n PRO 49 N -0.68 0.65 -0.90 4.82 -0.02 -1.26 -1.76 135.00 135.85 1xj1 n PRO 49 Ca -0.05 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1xj1 n PRO 49 Cb 0.61 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 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 -1.74 -0.89 -3.65 6.00 7.35 0.32 -4.70 117.46 120.15 1xj1 n PHE 50 Ca 0.13 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.66 1xj1 n PHE 50 Cb 0.48 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.23 1xj1 n PHE 50 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1xj1 s ASP 51 N -0.68 -0.43 0.00 -2.13 -1.08 -1.26 -1.76 116.67 109.31 1xj1 s ASP 51 Ca 0.00 0.47 0.00 0.00 -0.52 0.00 0.00 52.55 52.50 1xj1 s ASP 51 Cb 0.00 0.49 0.00 0.00 -1.46 0.00 0.00 42.92 41.95 1xj1 s ASP 51 CO 0.00 -0.49 0.49 0.61 0.52 0.00 0.00 175.17 176.30