#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 -0.63 2.00 0.00 0.00 2.07 -0.65 -4.78 121.20 119.20 1xj1 s ILE 8 Ca -0.02 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.22 1xj1 s ILE 8 Cb -0.02 -2.99 0.00 0.00 0.13 0.00 0.00 42.46 39.58 1xj1 s ILE 8 CO 0.01 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1xj1 n GLY 9 N -3.40 1.22 3.07 1.50 0.00 -1.26 -3.74 105.19 102.59 1xj1 n GLY 9 Ca 0.10 0.00 -0.12 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 0.35 -0.37 -0.99 1.61 -3.43 -1.26 -4.75 115.29 106.44 1xj1 s HIS 10 Ca 0.00 0.86 -0.06 0.00 -0.80 0.00 0.00 55.06 55.06 1xj1 s HIS 10 Cb 0.00 0.06 -0.07 0.00 -1.43 0.00 0.00 32.58 31.15 1xj1 s HIS 10 CO 0.00 -0.26 0.87 0.66 -2.00 0.00 0.00 174.74 174.01 1xj1 n TYR 11 N 4.35 -2.33 -4.36 0.38 4.02 0.48 -5.00 117.16 114.69 1xj1 n TYR 11 Ca -0.23 0.81 -0.27 0.00 -0.01 0.00 0.00 57.90 58.20 1xj1 n TYR 11 Cb 0.53 -4.04 -0.08 0.00 -0.02 0.00 0.00 39.34 35.73 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 -4.31 2.14 -0.35 -0.72 -1.52 -0.95 -4.83 119.66 109.11 1xj1 s GLN 12 Ca 0.43 -2.02 -0.29 0.00 -1.95 0.00 0.00 55.36 51.53 1xj1 s GLN 12 Cb -0.06 -1.82 0.02 0.00 -0.22 0.00 0.00 33.01 30.93 1xj1 s GLN 12 CO 0.70 -0.16 1.11 0.15 -0.25 0.00 0.00 175.29 176.84 1xj1 s LYS 13 N -3.86 3.97 -0.00 2.91 1.02 -1.26 0.29 119.74 122.80 1xj1 s LYS 13 Ca 0.34 0.97 0.04 0.00 0.02 0.00 0.00 55.97 57.34 1xj1 s LYS 13 Cb 0.05 -3.79 -0.05 0.00 -0.52 0.00 0.00 37.83 33.52 1xj1 s LYS 13 CO 0.18 -1.04 0.15 0.00 -0.92 0.00 0.00 175.35 173.73 1xj1 h VAL 15 N 0.00 1.55 -0.90 0.00 3.04 -1.79 -3.24 116.25 114.91 1xj1 h VAL 15 Ca 0.00 -2.97 -0.46 0.00 -1.01 0.00 0.00 66.70 62.26 1xj1 h VAL 15 Cb 0.13 2.73 -0.27 0.00 -2.01 0.00 0.00 31.29 31.86 1xj1 h VAL 15 CO 0.00 0.86 0.58 0.59 -1.01 0.00 0.00 177.57 178.60 1xj1 n ASN 16 N -3.54 3.74 -3.64 3.17 4.13 -1.26 -4.91 115.26 112.94 1xj1 n ASN 16 Ca -0.05 -3.45 -0.02 0.00 1.68 0.00 0.00 54.58 52.74 1xj1 n ASN 16 Cb 0.92 -0.81 -0.04 0.00 -1.54 0.00 0.00 39.78 38.31 1xj1 n ASN 16 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xj1 s ALA 17 N -3.00 -2.13 -0.53 5.41 0.00 -1.22 -5.03 121.76 115.26 1xj1 s ALA 17 Ca 0.52 1.86 -0.00 0.00 0.00 0.00 0.00 51.96 54.34 1xj1 s ALA 17 Cb 0.44 -1.54 0.44 0.00 0.00 0.00 0.00 23.12 22.46 1xj1 s ALA 17 CO 0.10 -0.22 1.97 -3.47 0.00 0.00 0.00 175.76 174.14 1xj1 n ASP 18 N 0.66 6.37 -4.69 0.00 2.03 -1.26 -4.64 116.55 115.01 1xj1 n ASP 18 Ca -0.02 -3.54 -0.42 0.00 0.52 0.00 0.00 54.79 51.33 1xj1 n ASP 18 Cb 0.59 -0.94 -0.03 0.00 -0.72 0.00 0.00 41.12 40.02 1xj1 n ASP 18 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1xj1 s LYS 19 N -3.18 4.42 0.68 -0.67 2.47 -1.26 -5.02 119.74 117.17 1xj1 s LYS 19 Ca 0.54 1.56 -0.15 0.00 -1.56 0.00 0.00 55.97 56.36 1xj1 s LYS 19 Cb 0.43 -3.51 0.01 0.00 -1.46 0.00 0.00 37.83 33.30 1xj1 s LYS 19 CO 0.02 -0.32 1.16 -1.25 0.16 0.00 0.00 175.35 175.12 1xj1 s PRO 20 N 1.81 2.56 0.65 4.03 0.04 -1.26 -4.86 135.00 137.96 1xj1 s PRO 20 Ca 0.53 1.59 0.01 0.00 0.04 0.00 0.00 61.00 63.17 1xj1 s PRO 20 Cb -0.23 -1.90 0.09 0.00 0.04 0.00 0.00 34.50 32.50 1xj1 s PRO 20 CO 0.23 -1.48 0.90 0.00 0.04 0.00 0.00 177.00 176.69 1xj1 s SER 23 N -0.42 -1.22 -1.06 0.00 0.01 -1.26 -1.72 113.70 108.03 1xj1 s SER 23 Ca 0.00 1.20 -0.19 0.00 1.31 0.00 0.00 55.95 58.27 1xj1 s SER 23 Cb 0.00 2.20 0.10 0.00 0.21 0.00 0.00 66.02 68.53 1xj1 s SER 23 CO 0.00 -0.24 1.36 -0.54 0.41 0.00 0.00 173.24 174.23 1xj1 s LYS 24 N 2.87 3.73 -0.70 12.44 -0.14 0.18 -4.92 119.74 133.19 1xj1 s LYS 24 Ca 0.08 -1.73 -0.04 0.00 -1.36 0.00 0.00 55.97 52.91 1xj1 s LYS 24 Cb -0.14 -5.17 0.18 0.00 -1.68 0.00 0.00 37.83 31.03 1xj1 s LYS 24 CO -0.20 -1.98 0.54 0.95 -0.76 0.00 0.00 175.35 173.91 1xj1 s THR 25 N 3.43 4.08 -0.21 2.17 -4.23 -1.25 0.11 115.64 119.74 1xj1 s THR 25 Ca 0.41 -3.07 -0.17 0.00 -1.18 0.00 0.00 61.69 57.68 1xj1 s THR 25 Cb -0.02 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 70.18 1xj1 s THR 25 CO -0.06 -0.94 0.47 -0.69 -0.54 0.00 0.00 174.62 172.87 1xj1 s VAL 26 N -0.28 5.14 0.85 2.29 1.01 0.74 -4.98 120.40 125.17 1xj1 s VAL 26 Ca 0.19 0.85 -0.12 0.00 0.00 0.00 0.00 61.98 62.90 1xj1 s VAL 26 Cb -0.17 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.52 1xj1 s VAL 26 CO -0.05 0.19 1.10 -0.13 0.00 0.00 0.00 175.10 176.21 1xj1 s ARG 27 N 1.59 1.65 0.00 2.72 3.00 -1.26 -4.48 118.95 122.17 1xj1 s ARG 27 Ca 0.22 0.68 0.00 0.00 0.00 0.00 0.00 55.73 56.62 1xj1 s ARG 27 Cb -0.15 -1.87 0.00 0.00 0.00 0.00 0.00 34.95 32.93 1xj1 s ARG 27 CO 0.09 -1.93 0.00 0.98 0.00 0.00 0.00 175.30 174.44 1xj1 n TYR 28 N -3.65 -0.58 0.00 -0.53 9.36 -1.26 -5.03 117.16 115.46 1xj1 n TYR 28 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 1xj1 n TYR 28 Cb 0.56 0.12 0.00 0.00 -0.63 0.00 0.00 39.34 39.39 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 -1.12 0.94 3.51 2.98 0.00 -1.26 -4.93 105.19 105.31 1xj1 n GLY 29 Ca 0.00 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 -6.09 -4.77 1.61 -0.08 -1.26 -5.01 116.55 100.94 1xj1 n ASP 30 Ca 0.00 -0.52 -0.24 0.00 -1.51 0.00 0.00 54.79 52.52 1xj1 n ASP 30 Cb 0.00 -4.86 -0.06 0.00 2.34 0.00 0.00 41.12 38.54 1xj1 n ASP 30 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1xj1 s SER 31 N -3.34 4.57 -0.59 1.67 0.01 -1.26 -5.03 113.70 109.73 1xj1 s SER 31 Ca 0.55 -1.01 -0.02 0.00 1.31 0.00 0.00 55.95 56.78 1xj1 s SER 31 Cb -0.24 -0.48 0.36 0.00 0.21 0.00 0.00 66.02 65.87 1xj1 s SER 31 CO 0.70 -0.58 2.07 0.29 0.41 0.00 0.00 173.24 176.13 1xj1 n LYS 32 N -1.32 2.46 -1.20 12.44 4.01 -1.26 -4.58 118.16 128.71 1xj1 n LYS 32 Ca -0.00 -2.83 -0.28 0.00 -0.51 0.00 0.00 58.31 54.69 1xj1 n LYS 32 Cb 0.64 -2.11 0.10 0.00 -0.51 0.00 0.00 35.03 33.15 1xj1 n LYS 32 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1xj1 n ASN 33 N -0.46 6.26 -4.11 4.39 3.02 -1.26 -4.86 115.26 118.24 1xj1 n ASN 33 Ca 0.53 -3.58 -0.33 0.00 -0.03 0.00 0.00 54.58 51.17 1xj1 n ASN 33 Cb 0.59 -0.93 -0.15 0.00 -0.61 0.00 0.00 39.78 38.68 1xj1 n ASN 33 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xj1 s VAL 34 N -3.89 2.47 -0.05 2.41 0.11 -1.26 -0.18 120.40 120.01 1xj1 s VAL 34 Ca 0.56 -1.54 0.05 0.00 -2.93 0.00 0.00 61.98 58.12 1xj1 s VAL 34 Cb 0.45 -2.44 -0.01 0.00 -1.53 0.00 0.00 36.38 32.85 1xj1 s VAL 34 CO 0.03 -0.06 -0.21 -0.60 -3.33 0.00 0.00 175.10 170.93 1xj1 s ARG 35 N 1.16 2.18 -0.26 1.54 6.06 0.30 -4.87 118.95 125.06 1xj1 s ARG 35 Ca -0.08 -0.74 0.03 0.00 -2.50 0.00 0.00 55.73 52.44 1xj1 s ARG 35 Cb -0.20 -1.85 0.06 0.00 0.06 0.00 0.00 34.95 33.02 1xj1 s ARG 35 CO -0.04 0.29 -0.09 0.21 -2.50 0.00 0.00 175.30 173.17 1xj1 s LYS 36 N -0.01 2.11 0.16 5.12 2.20 -0.99 0.49 119.74 128.83 1xj1 s LYS 36 Ca -0.05 -1.34 -0.28 0.00 -0.36 0.00 0.00 55.97 53.94 1xj1 s LYS 36 Cb -0.13 -2.87 -0.08 0.00 -1.51 0.00 0.00 37.83 33.25 1xj1 s LYS 36 CO 0.03 -0.60 0.87 -0.06 -0.36 0.00 0.00 175.35 175.24 1xj1 s PHE 37 N 1.13 3.89 0.37 4.03 0.08 -0.70 0.58 117.98 127.36 1xj1 s PHE 37 Ca -0.07 1.75 0.05 0.00 0.12 0.00 0.00 56.93 58.78 1xj1 s PHE 37 Cb -0.20 -2.91 -0.03 0.00 -0.57 0.00 0.00 43.02 39.31 1xj1 s PHE 37 CO -0.05 0.40 0.19 0.96 -0.10 0.00 0.00 175.22 176.61 1xj1 s ILE 38 N -0.77 0.33 -0.26 0.64 -5.25 0.06 -4.19 121.20 111.76 1xj1 s ILE 38 Ca 0.40 -2.00 -0.09 0.00 -0.99 0.00 0.00 60.65 57.98 1xj1 s ILE 38 Cb -0.24 -2.41 -0.04 0.00 2.95 0.00 0.00 42.46 42.72 1xj1 s ILE 38 CO 0.29 0.00 0.12 0.00 -1.79 0.00 0.00 174.94 173.56 1xj1 s ASP 40 N 1.59 6.15 -0.32 0.00 2.15 -0.43 -4.88 116.67 120.94 1xj1 s ASP 40 Ca 0.06 -2.45 0.10 0.00 0.43 0.00 0.00 52.55 50.70 1xj1 s ASP 40 Cb -0.15 -2.10 0.76 0.00 -0.30 0.00 0.00 42.92 41.13 1xj1 s ASP 40 CO 0.06 -0.59 1.80 -1.14 -0.17 0.00 0.00 175.17 175.14 1xj1 n ARG 41 N 4.23 3.86 -0.04 4.34 0.00 -1.26 -1.57 116.66 126.21 1xj1 n ARG 41 Ca 0.04 -3.11 -0.10 0.00 -0.00 0.00 0.00 57.85 54.69 1xj1 n ARG 41 Cb 0.43 -2.22 -0.03 0.00 0.00 0.00 0.00 32.46 30.63 1xj1 n ARG 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1xj1 n ASP 42 N -0.08 0.82 0.07 6.15 9.92 -1.26 -4.79 116.55 127.38 1xj1 n ASP 42 Ca 0.40 0.14 -0.03 0.00 -0.53 0.00 0.00 54.79 54.76 1xj1 n ASP 42 Cb 1.37 -0.33 -0.01 0.00 -0.64 0.00 0.00 41.12 41.51 1xj1 n ASP 42 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1xj1 h GLY 43 N -0.36 -0.21 0.00 0.44 0.00 -1.99 -3.45 103.07 97.50 1xj1 h GLY 43 Ca -0.22 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1xj1 h GLY 43 CO -0.13 -0.08 -0.63 1.18 0.00 0.00 0.00 176.54 176.88 1xj1 n GLU 44 N -2.78 0.00 0.00 4.80 1.02 -1.26 -5.09 120.64 117.33 1xj1 n GLU 44 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1xj1 n GLU 44 Cb 0.08 -0.50 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 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 2.57 0.65 3.12 0.62 0.00 -0.61 -4.95 105.19 106.59 1xj1 n GLY 45 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 0.15 -0.30 1.61 -7.23 -0.62 -2.32 120.40 111.69 1xj1 s VAL 46 Ca 0.00 -1.27 -0.26 0.00 -1.81 0.00 0.00 61.98 58.64 1xj1 s VAL 46 Cb 0.00 -1.10 0.01 0.00 0.56 0.00 0.00 36.38 35.85 1xj1 s VAL 46 CO 0.00 -0.70 0.93 0.00 -0.31 0.00 0.00 175.10 175.02 1xj1 s VAL 48 N 3.25 1.26 1.08 0.00 -7.23 -0.35 0.18 120.40 118.60 1xj1 s VAL 48 Ca 0.39 -2.06 -0.13 0.00 -1.81 0.00 0.00 61.98 58.37 1xj1 s VAL 48 Cb -0.13 -2.42 0.21 0.00 0.56 0.00 0.00 36.38 34.59 1xj1 s VAL 48 CO 0.13 -0.28 0.88 -2.65 -0.31 0.00 0.00 175.10 172.86 1xj1 n PRO 49 N -0.50 -1.65 -3.70 4.82 -0.02 -1.26 -0.76 135.00 131.92 1xj1 n PRO 49 Ca -0.05 -0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 60.90 1xj1 n PRO 49 Cb 0.64 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 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 -2.45 -0.31 -0.29 6.00 5.36 0.20 -4.60 117.98 121.89 1xj1 s PHE 50 Ca 0.66 -0.06 -0.00 0.00 -0.96 0.00 0.00 56.93 56.57 1xj1 s PHE 50 Cb -0.23 0.66 0.00 0.00 -0.34 0.00 0.00 43.02 43.11 1xj1 s PHE 50 CO 0.64 -1.10 0.00 -0.25 -1.46 0.00 0.00 175.22 173.05 1xj1 n ASP 51 N -0.43 -7.91 0.00 6.13 9.92 -1.26 -2.35 116.55 120.65 1xj1 n ASP 51 Ca -0.09 1.37 0.00 0.00 -0.53 0.00 0.00 54.79 55.55 1xj1 n ASP 51 Cb 0.61 -5.10 0.00 0.00 -0.64 0.00 0.00 41.12 35.99 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94