#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 -0.58 2.23 -0.12 0.00 1.10 -0.69 -4.83 121.20 118.30 1xj1 s ILE 8 Ca 0.00 0.07 0.03 0.00 -0.51 0.00 0.00 60.65 60.24 1xj1 s ILE 8 Cb 0.00 -3.06 -0.09 0.00 0.15 0.00 0.00 42.46 39.45 1xj1 s ILE 8 CO 0.00 -0.10 -0.08 0.61 -2.11 0.00 0.00 174.94 173.26 1xj1 n GLY 9 N -3.23 -0.25 0.00 1.50 0.00 -1.26 -3.30 105.19 98.65 1xj1 n GLY 9 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1xj1 n GLY 9 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1xj1 n HIS 10 N -2.76 0.00 -2.93 1.61 1.44 -1.26 -4.95 115.22 106.37 1xj1 n HIS 10 Ca -0.21 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.47 1xj1 n HIS 10 Cb 0.76 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.88 1xj1 n HIS 10 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1xj1 n TYR 11 N -0.06 -2.60 -3.74 -1.40 4.02 0.20 -5.02 117.16 108.56 1xj1 n TYR 11 Ca 0.00 0.98 -0.30 0.00 -0.01 0.00 0.00 57.90 58.57 1xj1 n TYR 11 Cb 0.00 -3.86 -0.04 0.00 -0.02 0.00 0.00 39.34 35.41 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 -3.21 3.55 -0.55 -0.72 -0.44 -0.94 -4.73 119.66 112.63 1xj1 s GLN 12 Ca 0.07 -0.24 -0.28 0.00 -2.50 0.00 0.00 55.36 52.41 1xj1 s GLN 12 Cb -0.01 -2.89 0.03 0.00 -1.64 0.00 0.00 33.01 28.50 1xj1 s GLN 12 CO 0.67 0.48 1.20 0.15 0.50 0.00 0.00 175.29 178.29 1xj1 s LYS 13 N -2.80 3.55 -0.37 1.67 3.01 -1.26 0.10 119.74 123.65 1xj1 s LYS 13 Ca 0.39 0.35 0.07 0.00 -1.01 0.00 0.00 55.97 55.77 1xj1 s LYS 13 Cb -0.12 -4.00 0.60 0.00 -1.01 0.00 0.00 37.83 33.30 1xj1 s LYS 13 CO 0.27 -1.62 1.70 0.00 0.51 0.00 0.00 175.35 176.20 1xj1 n VAL 15 N -1.08 0.91 -1.63 0.00 0.31 -1.23 -4.77 118.33 110.83 1xj1 n VAL 15 Ca 0.46 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.78 1xj1 n VAL 15 Cb 1.36 -1.76 0.18 0.00 -0.91 0.00 0.00 33.84 32.72 1xj1 n VAL 15 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1xj1 n ASN 16 N -3.68 2.26 -1.62 4.52 0.23 -1.26 -5.03 115.26 110.67 1xj1 n ASN 16 Ca -0.19 -3.87 -0.04 0.00 -0.53 0.00 0.00 54.58 49.95 1xj1 n ASN 16 Cb 0.53 -0.53 -0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1xj1 n ASN 16 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xj1 n ALA 17 N -1.07 -0.25 -2.15 -2.53 0.00 -1.25 -5.08 120.51 108.17 1xj1 n ALA 17 Ca 0.25 -0.49 -0.06 0.00 0.00 0.00 0.00 53.44 53.14 1xj1 n ALA 17 Cb 0.78 0.39 -0.03 0.00 0.00 0.00 0.00 19.45 20.59 1xj1 n ALA 17 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xj1 n ASP 18 N -1.72 -1.01 -4.76 0.00 -0.08 -1.26 -4.77 116.55 102.95 1xj1 n ASP 18 Ca -0.01 -2.04 -0.37 0.00 -1.51 0.00 0.00 54.79 50.86 1xj1 n ASP 18 Cb 0.19 0.35 0.02 0.00 2.34 0.00 0.00 41.12 44.02 1xj1 n ASP 18 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1xj1 s LYS 19 N -0.00 3.28 0.16 -0.67 1.02 -1.26 -4.97 119.74 117.29 1xj1 s LYS 19 Ca 0.03 1.88 -0.30 0.00 0.02 0.00 0.00 55.97 57.59 1xj1 s LYS 19 Cb 0.10 -2.14 -0.08 0.00 -0.52 0.00 0.00 37.83 35.19 1xj1 s LYS 19 CO -0.03 -0.98 1.27 -1.25 -0.92 0.00 0.00 175.35 173.44 1xj1 s PRO 20 N -3.05 4.42 -0.58 -1.68 0.04 -1.26 -4.96 135.00 127.93 1xj1 s PRO 20 Ca 0.72 1.95 -0.19 0.00 0.04 0.00 0.00 61.00 63.52 1xj1 s PRO 20 Cb -0.31 -3.24 0.10 0.00 0.04 0.00 0.00 34.50 31.08 1xj1 s PRO 20 CO 0.36 -0.23 0.67 0.00 0.04 0.00 0.00 177.00 177.85 1xj1 s SER 23 N -2.95 3.44 -0.11 0.00 0.01 -1.26 -4.58 113.70 108.24 1xj1 s SER 23 Ca 0.66 -1.16 -0.03 0.00 1.31 0.00 0.00 55.95 56.74 1xj1 s SER 23 Cb -0.22 -0.29 0.04 0.00 0.21 0.00 0.00 66.02 65.77 1xj1 s SER 23 CO 0.61 -0.18 0.05 -0.54 0.41 0.00 0.00 173.24 173.58 1xj1 s LYS 24 N -3.62 0.26 0.20 12.44 -0.14 -0.83 -5.08 119.74 122.98 1xj1 s LYS 24 Ca 0.31 0.03 -0.03 0.00 -1.36 0.00 0.00 55.97 54.92 1xj1 s LYS 24 Cb 0.01 -1.31 -0.05 0.00 -1.68 0.00 0.00 37.83 34.80 1xj1 s LYS 24 CO 0.15 -0.48 0.42 0.95 -0.76 0.00 0.00 175.35 175.62 1xj1 s THR 25 N 2.06 5.16 -0.00 2.17 -4.23 -1.26 -0.26 115.64 119.27 1xj1 s THR 25 Ca 0.03 -0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1xj1 s THR 25 Cb -0.14 -3.70 0.01 0.00 1.34 0.00 0.00 72.50 70.01 1xj1 s THR 25 CO -0.06 -0.14 0.03 0.52 -0.54 0.00 0.00 174.62 174.43 1xj1 n VAL 26 N -0.48-13.08 -3.43 2.29 0.31 -0.03 -4.86 118.33 99.05 1xj1 n VAL 26 Ca -0.03 3.04 -0.00 0.00 -0.01 0.00 0.00 64.34 67.33 1xj1 n VAL 26 Cb 0.53 -6.08 -0.00 0.00 -0.91 0.00 0.00 33.84 27.38 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 1.76 0.02 -2.61 5.55 0.63 -1.08 -4.73 116.66 116.21 1xj1 n ARG 27 Ca -0.05 -0.07 -0.20 0.00 -0.92 0.00 0.00 57.85 56.61 1xj1 n ARG 27 Cb 0.08 0.07 0.01 0.00 0.45 0.00 0.00 32.46 33.06 1xj1 n ARG 27 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1xj1 n TYR 28 N -0.01 -1.29 -0.43 -0.14 4.02 -1.26 -0.94 117.16 117.10 1xj1 n TYR 28 Ca -0.00 0.19 0.00 0.00 -0.01 0.00 0.00 57.90 58.08 1xj1 n TYR 28 Cb 0.01 -3.99 0.00 0.00 -0.02 0.00 0.00 39.34 35.35 1xj1 n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xj1 n GLY 29 N -1.20 0.75 2.58 2.72 0.00 -1.26 -4.34 105.19 104.44 1xj1 n GLY 29 Ca -0.18 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 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 0.06 -5.95 -3.87 1.61 9.92 -1.21 -4.98 116.55 112.13 1xj1 n ASP 30 Ca 0.00 -0.10 -0.30 0.00 -0.53 0.00 0.00 54.79 53.86 1xj1 n ASP 30 Cb 0.10 -4.90 0.23 0.00 -0.64 0.00 0.00 41.12 35.90 1xj1 n ASP 30 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1xj1 s SER 31 N -2.27 1.62 -0.57 -2.24 0.15 -0.12 -4.84 113.70 105.44 1xj1 s SER 31 Ca 0.09 0.45 -0.03 0.00 0.70 0.00 0.00 55.95 57.17 1xj1 s SER 31 Cb -0.04 -0.58 0.19 0.00 -1.71 0.00 0.00 66.02 63.87 1xj1 s SER 31 CO 0.12 -3.67 2.44 0.29 1.20 0.00 0.00 173.24 173.61 1xj1 n LYS 32 N -4.43 2.46 -4.59 5.44 5.02 -1.26 -4.00 118.16 116.80 1xj1 n LYS 32 Ca 0.15 -2.67 -0.22 0.00 -2.02 0.00 0.00 58.31 53.55 1xj1 n LYS 32 Cb 0.60 -2.14 -0.15 0.00 -0.02 0.00 0.00 35.03 33.32 1xj1 n LYS 32 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1xj1 s ASN 33 N -0.22 1.54 -0.18 4.39 0.02 -1.26 -5.01 114.94 114.21 1xj1 s ASN 33 Ca 0.55 -0.24 -0.05 0.00 -1.02 0.00 0.00 52.86 52.10 1xj1 s ASN 33 Cb 0.40 -0.17 -0.03 0.00 0.02 0.00 0.00 41.25 41.46 1xj1 s ASN 33 CO -0.25 0.16 0.00 -0.69 0.02 0.00 0.00 177.10 176.35 1xj1 s VAL 34 N -0.32 4.17 -0.27 1.60 1.01 -1.26 -0.85 120.40 124.48 1xj1 s VAL 34 Ca 0.05 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 1xj1 s VAL 34 Cb -0.05 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1xj1 s VAL 34 CO -0.00 0.46 0.35 -0.60 0.00 0.00 0.00 175.10 175.31 1xj1 s ARG 35 N 0.56 4.02 0.39 2.72 3.52 0.65 -4.92 118.95 125.89 1xj1 s ARG 35 Ca -0.01 0.00 0.08 0.00 -0.13 0.00 0.00 55.73 55.68 1xj1 s ARG 35 Cb -0.14 -3.65 -0.02 0.00 -1.56 0.00 0.00 34.95 29.59 1xj1 s ARG 35 CO 0.02 -0.25 0.39 0.21 -0.81 0.00 0.00 175.30 174.86 1xj1 s LYS 36 N 1.99 2.65 -0.05 5.12 2.47 -0.91 -1.96 119.74 129.05 1xj1 s LYS 36 Ca 0.14 -1.41 -0.02 0.00 -1.56 0.00 0.00 55.97 53.12 1xj1 s LYS 36 Cb -0.16 -2.47 0.03 0.00 -1.46 0.00 0.00 37.83 33.77 1xj1 s LYS 36 CO 0.10 -0.12 0.09 -0.06 0.16 0.00 0.00 175.35 175.52 1xj1 s PHE 37 N -2.40 -0.05 0.20 4.03 0.40 -1.26 0.14 117.98 119.03 1xj1 s PHE 37 Ca 0.47 0.32 0.07 0.00 -0.60 0.00 0.00 56.93 57.20 1xj1 s PHE 37 Cb -0.05 -0.23 -0.05 0.00 0.51 0.00 0.00 43.02 43.20 1xj1 s PHE 37 CO 0.28 -0.15 -0.14 0.96 0.70 0.00 0.00 175.22 176.87 1xj1 s ILE 38 N 1.43 1.65 -0.64 0.64 -5.25 -0.54 -4.89 121.20 113.59 1xj1 s ILE 38 Ca -0.05 -2.19 -0.27 0.00 -0.99 0.00 0.00 60.65 57.15 1xj1 s ILE 38 Cb -0.12 -2.01 0.03 0.00 2.95 0.00 0.00 42.46 43.31 1xj1 s ILE 38 CO -0.04 -0.62 1.19 0.00 -1.79 0.00 0.00 174.94 173.68 1xj1 s ASP 40 N 3.28 6.20 -0.77 0.00 2.15 0.18 -4.93 116.67 122.77 1xj1 s ASP 40 Ca 0.38 -1.01 0.02 0.00 0.43 0.00 0.00 52.55 52.36 1xj1 s ASP 40 Cb -0.09 -2.38 0.19 0.00 -0.30 0.00 0.00 42.92 40.34 1xj1 s ASP 40 CO 0.20 -1.29 0.60 0.00 -0.17 0.00 0.00 175.17 174.51 1xj1 s ARG 41 N 3.60 2.79 0.00 4.34 1.70 -1.26 -1.63 118.95 128.49 1xj1 s ARG 41 Ca 0.20 -3.22 0.00 0.00 -0.47 0.00 0.00 55.73 52.24 1xj1 s ARG 41 Cb -0.18 -3.67 0.00 0.00 -0.57 0.00 0.00 34.95 30.53 1xj1 s ARG 41 CO 0.10 -1.26 0.00 -3.47 -1.08 0.00 0.00 175.30 169.60 1xj1 n ASP 42 N 2.29 0.00 -0.02 -2.89 2.03 -1.26 -4.92 116.55 111.78 1xj1 n ASP 42 Ca 0.19 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.48 1xj1 n ASP 42 Cb 0.36 0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.10 -0.15 0.80 0.27 0.00 -1.26 -4.94 105.19 100.00 1xj1 n GLY 43 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.22 0.05 0.00 1.61 -0.58 -1.26 -5.09 120.64 113.15 1xj1 n GLU 44 Ca -0.06 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1xj1 n GLU 44 Cb 0.61 -0.36 0.00 0.00 -0.57 0.00 0.00 31.44 31.11 1xj1 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xj1 n GLY 45 N 3.05 0.91 3.33 0.62 0.00 -0.65 -5.00 105.19 107.45 1xj1 n GLY 45 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.48 0.00 -0.53 1.61 -7.23 -0.68 -2.15 120.40 109.93 1xj1 s VAL 46 Ca 0.00 -1.84 -0.22 0.00 -1.81 0.00 0.00 61.98 58.11 1xj1 s VAL 46 Cb 0.00 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.51 1xj1 s VAL 46 CO 0.00 0.00 0.78 0.00 -0.31 0.00 0.00 175.10 175.57 1xj1 s VAL 48 N 3.27 3.22 0.74 0.00 -7.23 -0.39 0.60 120.40 120.60 1xj1 s VAL 48 Ca 0.22 -1.79 -0.16 0.00 -1.81 0.00 0.00 61.98 58.44 1xj1 s VAL 48 Cb -0.16 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 1xj1 s VAL 48 CO 0.15 -0.27 0.45 -2.65 -0.31 0.00 0.00 175.10 172.48 1xj1 n PRO 49 N -1.04 0.24 -0.81 4.82 -0.02 -1.26 -1.47 135.00 135.46 1xj1 n PRO 49 Ca -0.05 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1xj1 n PRO 49 Cb 0.60 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 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 -2.44 -0.81 -2.40 6.00 7.35 0.37 -4.63 117.46 120.90 1xj1 n PHE 50 Ca 0.09 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.79 1xj1 n PHE 50 Cb 0.50 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.33 1xj1 n PHE 50 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1xj1 n ASP 51 N -0.81 0.49 0.00 -2.13 8.00 -1.26 -2.14 116.55 118.69 1xj1 n ASP 51 Ca 0.00 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.49 1xj1 n ASP 51 Cb 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42