#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 1.09 4.53 0.00 0.00 2.07 -0.83 -4.97 121.20 123.09 1xj1 s ILE 8 Ca -0.08 1.14 0.00 0.00 -1.41 0.00 0.00 60.65 60.31 1xj1 s ILE 8 Cb -0.02 -3.73 0.00 0.00 0.13 0.00 0.00 42.46 38.84 1xj1 s ILE 8 CO -0.10 -0.76 0.00 0.61 -1.91 0.00 0.00 174.94 172.78 1xj1 n GLY 9 N -1.75 -0.38 3.64 1.50 0.00 -1.26 -4.61 105.19 102.34 1xj1 n GLY 9 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.80 -0.37 -1.22 1.61 -3.43 -1.26 -5.00 115.29 104.83 1xj1 s HIS 10 Ca 0.00 0.85 -0.03 0.00 -0.80 0.00 0.00 55.06 55.08 1xj1 s HIS 10 Cb 0.00 0.37 -0.01 0.00 -1.43 0.00 0.00 32.58 31.51 1xj1 s HIS 10 CO 0.00 -0.18 0.83 0.66 -2.00 0.00 0.00 174.74 174.06 1xj1 n TYR 11 N 2.34 -2.08 -2.99 0.38 4.02 0.33 -4.98 117.16 114.18 1xj1 n TYR 11 Ca -0.13 0.84 -0.31 0.00 -0.01 0.00 0.00 57.90 58.29 1xj1 n TYR 11 Cb 0.56 -4.47 -0.04 0.00 -0.02 0.00 0.00 39.34 35.37 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 -5.53 3.82 -0.28 -0.72 2.00 -0.90 -4.71 119.66 113.33 1xj1 s GLN 12 Ca 0.12 0.46 -0.29 0.00 -2.00 0.00 0.00 55.36 53.65 1xj1 s GLN 12 Cb -0.03 -2.44 0.01 0.00 0.80 0.00 0.00 33.01 31.36 1xj1 s GLN 12 CO 0.78 0.05 1.06 0.21 -0.50 0.00 0.00 175.29 176.89 1xj1 s LYS 13 N -3.56 4.15 0.01 1.67 2.47 -1.26 0.46 119.74 123.68 1xj1 s LYS 13 Ca 0.51 1.20 0.19 0.00 -1.56 0.00 0.00 55.97 56.31 1xj1 s LYS 13 Cb -0.10 -3.70 -0.18 0.00 -1.46 0.00 0.00 37.83 32.39 1xj1 s LYS 13 CO 0.27 -0.79 0.65 0.00 0.16 0.00 0.00 175.35 175.64 1xj1 n VAL 15 N -2.70 3.29 0.00 0.00 0.31 -1.14 -4.02 118.33 114.07 1xj1 n VAL 15 Ca -0.11 -2.89 0.00 0.00 -0.01 0.00 0.00 64.34 61.33 1xj1 n VAL 15 Cb 0.80 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 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 0.93 0.00 -4.20 4.52 2.85 -1.26 -5.16 115.26 112.94 1xj1 n ASN 16 Ca 0.48 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.73 1xj1 n ASN 16 Cb 0.57 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.57 1xj1 n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xj1 n ALA 17 N -0.56 0.57 -2.76 5.20 0.00 -1.22 -5.08 120.51 116.67 1xj1 n ALA 17 Ca 0.00 -1.76 -0.02 0.00 0.00 0.00 0.00 53.44 51.66 1xj1 n ALA 17 Cb 0.00 0.80 0.08 0.00 0.00 0.00 0.00 19.45 20.33 1xj1 n ALA 17 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xj1 n ASP 18 N -1.68 0.39 -4.80 0.00 9.92 -1.26 -4.71 116.55 114.41 1xj1 n ASP 18 Ca -0.06 -2.20 -0.35 0.00 -0.53 0.00 0.00 54.79 51.65 1xj1 n ASP 18 Cb 0.50 -0.03 -0.06 0.00 -0.64 0.00 0.00 41.12 40.89 1xj1 n ASP 18 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1xj1 s LYS 19 N -2.26 4.28 -0.01 -1.24 3.01 -1.26 -5.01 119.74 117.26 1xj1 s LYS 19 Ca 0.21 1.27 -0.30 0.00 -1.01 0.00 0.00 55.97 56.14 1xj1 s LYS 19 Cb 0.38 -2.41 -0.05 0.00 -1.01 0.00 0.00 37.83 34.74 1xj1 s LYS 19 CO -0.06 0.00 1.33 -1.25 0.51 0.00 0.00 175.35 175.88 1xj1 s PRO 20 N -2.75 4.31 -1.34 -1.68 0.04 -1.26 -4.91 135.00 127.42 1xj1 s PRO 20 Ca 0.58 1.87 -0.15 0.00 0.04 0.00 0.00 61.00 63.35 1xj1 s PRO 20 Cb -0.15 -3.54 0.09 0.00 0.04 0.00 0.00 34.50 30.94 1xj1 s PRO 20 CO 0.19 -0.51 1.88 0.00 0.04 0.00 0.00 177.00 178.60 1xj1 s SER 23 N -2.65 6.06 -0.21 0.00 0.01 -1.26 -4.63 113.70 111.02 1xj1 s SER 23 Ca 0.66 1.32 -0.04 0.00 1.31 0.00 0.00 55.95 59.21 1xj1 s SER 23 Cb -0.20 -2.33 0.10 0.00 0.21 0.00 0.00 66.02 63.79 1xj1 s SER 23 CO 0.42 -0.95 0.22 -0.54 0.41 0.00 0.00 173.24 172.80 1xj1 s LYS 24 N -5.19 0.20 -0.19 12.44 1.02 -0.23 -5.01 119.74 122.78 1xj1 s LYS 24 Ca 0.55 0.14 -0.16 0.00 0.02 0.00 0.00 55.97 56.53 1xj1 s LYS 24 Cb -0.11 -1.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.99 1xj1 s LYS 24 CO 0.53 -0.70 0.41 -0.08 -0.92 0.00 0.00 175.35 174.58 1xj1 s THR 25 N 2.32 5.20 -0.02 2.17 -1.32 -1.26 -2.04 115.64 120.68 1xj1 s THR 25 Ca 0.07 0.73 -0.30 0.00 -1.21 0.00 0.00 61.69 60.98 1xj1 s THR 25 Cb -0.16 -3.74 -0.04 0.00 -1.51 0.00 0.00 72.50 67.06 1xj1 s THR 25 CO -0.15 0.26 1.17 0.68 -2.21 0.00 0.00 174.62 174.37 1xj1 s VAL 26 N 1.24 4.29 -0.74 5.08 -7.23 -1.15 -4.94 120.40 116.95 1xj1 s VAL 26 Ca 0.20 1.62 -0.02 0.00 -1.81 0.00 0.00 61.98 61.97 1xj1 s VAL 26 Cb -0.15 -4.04 0.41 0.00 0.56 0.00 0.00 36.38 33.16 1xj1 s VAL 26 CO 0.08 0.04 2.03 -2.11 -0.31 0.00 0.00 175.10 174.84 1xj1 n ARG 27 N 4.75 2.71 -3.91 4.82 1.85 -1.26 -4.39 116.66 121.24 1xj1 n ARG 27 Ca 0.10 -3.38 -0.29 0.00 -1.00 0.00 0.00 57.85 53.28 1xj1 n ARG 27 Cb 0.47 -2.28 -0.16 0.00 -1.05 0.00 0.00 32.46 29.43 1xj1 n ARG 27 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 1xj1 s TYR 28 N -3.93 1.89 -1.20 2.89 5.04 -1.26 -5.07 117.35 115.70 1xj1 s TYR 28 Ca 0.60 -1.26 0.00 0.00 -2.44 0.00 0.00 57.07 53.97 1xj1 s TYR 28 Cb 0.48 -1.39 0.00 0.00 0.35 0.00 0.00 41.96 41.40 1xj1 s TYR 28 CO -0.17 -0.66 0.00 0.41 -1.34 0.00 0.00 175.55 173.79 1xj1 n GLY 29 N 4.82 0.44 0.05 8.97 0.00 -1.26 -4.91 105.19 113.30 1xj1 n GLY 29 Ca -0.12 -2.21 -0.00 0.00 0.00 0.00 0.00 46.02 43.69 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 0.00 -4.36 1.61 3.58 -1.99 -3.47 116.42 111.79 1xj1 h ASP 30 Ca 0.00 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.94 1xj1 h ASP 30 Cb 0.00 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.12 1xj1 h ASP 30 CO 0.00 0.47 0.41 -0.94 -2.88 0.00 0.00 179.24 176.30 1xj1 s SER 31 N -5.36 6.04 -0.60 2.28 1.04 -1.26 -5.04 113.70 110.80 1xj1 s SER 31 Ca -0.00 1.45 -0.01 0.00 0.48 0.00 0.00 55.95 57.86 1xj1 s SER 31 Cb 0.00 -2.45 0.15 0.00 0.10 0.00 0.00 66.02 63.82 1xj1 s SER 31 CO 0.00 -0.99 0.39 -0.54 0.98 0.00 0.00 173.24 173.08 1xj1 s LYS 32 N -5.16 2.42 0.07 4.02 1.02 -1.26 -4.81 119.74 116.03 1xj1 s LYS 32 Ca 0.56 -2.54 -0.13 0.00 0.02 0.00 0.00 55.97 53.87 1xj1 s LYS 32 Cb -0.12 -3.63 -0.06 0.00 -0.52 0.00 0.00 37.83 33.50 1xj1 s LYS 32 CO 0.54 -1.16 0.46 -0.80 -0.92 0.00 0.00 175.35 173.47 1xj1 s ASN 33 N 0.48 6.78 -0.08 2.83 0.01 -1.26 -5.02 114.94 118.67 1xj1 s ASN 33 Ca 0.17 0.96 -0.03 0.00 -0.71 0.00 0.00 52.86 53.25 1xj1 s ASN 33 Cb -0.21 -2.25 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 1xj1 s ASN 33 CO -0.03 0.21 0.04 -0.69 -1.51 0.00 0.00 177.10 175.12 1xj1 s VAL 34 N -1.29 4.58 -0.21 1.60 1.01 -1.26 -2.94 120.40 121.89 1xj1 s VAL 34 Ca 0.31 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1xj1 s VAL 34 Cb -0.16 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1xj1 s VAL 34 CO 0.17 0.58 -0.05 -0.60 0.00 0.00 0.00 175.10 175.20 1xj1 s ARG 35 N -1.01 3.41 0.43 2.72 3.52 -0.87 -4.95 118.95 122.20 1xj1 s ARG 35 Ca 0.15 -0.62 0.05 0.00 -0.13 0.00 0.00 55.73 55.18 1xj1 s ARG 35 Cb -0.12 -2.97 0.01 0.00 -1.56 0.00 0.00 34.95 30.31 1xj1 s ARG 35 CO 0.04 -0.13 0.60 0.21 -0.81 0.00 0.00 175.30 175.22 1xj1 s LYS 36 N 1.29 2.88 -0.03 5.12 2.20 -0.88 -1.07 119.74 129.25 1xj1 s LYS 36 Ca 0.03 -0.97 -0.01 0.00 -0.36 0.00 0.00 55.97 54.66 1xj1 s LYS 36 Cb -0.14 -2.69 0.03 0.00 -1.51 0.00 0.00 37.83 33.52 1xj1 s LYS 36 CO -0.02 -0.28 0.04 -0.06 -0.36 0.00 0.00 175.35 174.68 1xj1 s PHE 37 N -2.42 0.08 -0.03 4.03 0.08 -1.26 0.11 117.98 118.56 1xj1 s PHE 37 Ca 0.52 0.19 0.06 0.00 0.12 0.00 0.00 56.93 57.82 1xj1 s PHE 37 Cb -0.10 -0.40 -0.02 0.00 -0.57 0.00 0.00 43.02 41.93 1xj1 s PHE 37 CO 0.34 -0.16 -0.20 0.96 -0.10 0.00 0.00 175.22 176.06 1xj1 s ILE 38 N 1.73 2.55 -0.95 0.64 -4.36 -0.58 -4.84 121.20 115.39 1xj1 s ILE 38 Ca -0.01 -0.93 -0.22 0.00 -0.26 0.00 0.00 60.65 59.23 1xj1 s ILE 38 Cb -0.12 -1.95 0.07 0.00 1.25 0.00 0.00 42.46 41.71 1xj1 s ILE 38 CO -0.03 0.58 1.32 0.00 0.24 0.00 0.00 174.94 177.04 1xj1 s ASP 40 N 4.42 7.11 -0.15 0.00 2.15 -0.08 -4.87 116.67 125.24 1xj1 s ASP 40 Ca 0.40 1.36 0.16 0.00 0.43 0.00 0.00 52.55 54.90 1xj1 s ASP 40 Cb -0.03 -2.50 0.33 0.00 -0.30 0.00 0.00 42.92 40.41 1xj1 s ASP 40 CO -0.06 -0.41 1.17 0.54 -0.17 0.00 0.00 175.17 176.24 1xj1 n ARG 41 N 5.02 1.33 -1.21 4.34 3.00 -1.26 -1.57 116.66 126.31 1xj1 n ARG 41 Ca 0.06 -2.78 -0.29 0.00 -0.01 0.00 0.00 57.85 54.84 1xj1 n ARG 41 Cb 0.49 -1.49 0.10 0.00 0.00 0.00 0.00 32.46 31.56 1xj1 n ARG 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1xj1 n ASP 42 N -1.26 6.37 0.00 0.55 2.03 -1.26 -4.74 116.55 118.24 1xj1 n ASP 42 Ca 0.16 -3.60 0.00 0.00 0.52 0.00 0.00 54.79 51.87 1xj1 n ASP 42 Cb 0.67 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 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 -0.79 -1.64 0.19 0.27 0.00 -1.26 -5.02 105.19 96.94 1xj1 n GLY 43 Ca 0.56 0.58 -0.10 0.00 0.00 0.00 0.00 46.02 47.07 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 0.48 0.00 1.61 1.02 -1.26 -5.09 120.64 117.40 1xj1 n GLU 44 Ca 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1xj1 n GLU 44 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 1.64 0.65 3.23 0.62 0.00 -1.02 -4.89 105.19 105.42 1xj1 n GLY 45 Ca -0.16 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.97 0.06 -0.48 1.61 -7.23 -0.61 -1.01 120.40 111.77 1xj1 s VAL 46 Ca 0.00 -1.78 -0.18 0.00 -1.81 0.00 0.00 61.98 58.21 1xj1 s VAL 46 Cb 0.00 -2.12 0.06 0.00 0.56 0.00 0.00 36.38 34.88 1xj1 s VAL 46 CO 0.00 -0.28 0.52 0.00 -0.31 0.00 0.00 175.10 175.03 1xj1 s VAL 48 N 2.23 3.50 0.59 0.00 -7.23 -0.82 0.12 120.40 118.79 1xj1 s VAL 48 Ca 0.11 -1.72 -0.18 0.00 -1.81 0.00 0.00 61.98 58.37 1xj1 s VAL 48 Cb -0.21 -3.01 -0.06 0.00 0.56 0.00 0.00 36.38 33.67 1xj1 s VAL 48 CO 0.10 -0.30 0.84 -2.65 -0.31 0.00 0.00 175.10 172.78 1xj1 n PRO 49 N -1.05 0.78 -0.73 4.82 -0.02 -1.26 -1.53 135.00 136.00 1xj1 n PRO 49 Ca -0.05 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1xj1 n PRO 49 Cb 0.60 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 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 -1.72 -0.72 -3.06 6.00 7.35 0.30 -4.71 117.46 120.89 1xj1 n PHE 50 Ca 0.13 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.86 1xj1 n PHE 50 Cb 0.47 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.30 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 -0.18 -0.83 0.00 -2.13 2.15 -1.26 -2.08 116.67 112.34 1xj1 s ASP 51 Ca 0.00 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 52.86 1xj1 s ASP 51 Cb 0.00 1.32 0.00 0.00 -0.30 0.00 0.00 42.92 43.94 1xj1 s ASP 51 CO 0.00 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.48