#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p9j s VAL 2 N 0.00 4.78 -0.21 2.52 0.11 -1.26 -4.63 120.40 121.70 1p9j s VAL 2 Ca 0.00 -0.02 -0.17 0.00 -2.93 0.00 0.00 61.98 58.86 1p9j s VAL 2 Cb 0.00 -3.22 -0.13 0.00 -1.53 0.00 0.00 36.38 31.50 1p9j s VAL 2 CO 0.00 0.35 -0.08 -1.54 -3.33 0.00 0.00 175.10 170.50 1p9j n SER 3 N 4.53 1.89 -4.26 3.54 3.41 -1.26 -5.00 113.62 116.47 1p9j n SER 3 Ca -0.16 0.43 -0.31 0.00 -0.26 0.00 0.00 58.87 58.57 1p9j n SER 3 Cb 0.52 -0.89 -0.16 0.00 -0.26 0.00 0.00 64.21 63.42 1p9j n SER 3 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1p9j s HIS 4 N -2.44 2.42 -0.22 7.33 0.09 -1.26 -5.11 115.29 116.10 1p9j s HIS 4 Ca -0.29 -0.74 -0.09 0.00 -0.00 0.00 0.00 55.06 53.94 1p9j s HIS 4 Cb 0.08 -1.59 -0.04 0.00 -0.00 0.00 0.00 32.58 31.02 1p9j s HIS 4 CO 0.48 -0.23 0.11 -0.06 -0.00 0.00 0.00 174.74 175.04 1p9j s PHE 5 N -0.13 3.26 0.14 1.40 0.40 -1.26 -4.95 117.98 116.84 1p9j s PHE 5 Ca -0.04 0.08 -0.03 0.00 -0.60 0.00 0.00 56.93 56.33 1p9j s PHE 5 Cb -0.14 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 1p9j s PHE 5 CO 0.04 0.05 0.11 0.54 0.70 0.00 0.00 175.22 176.66 1p9j s ASN 6 N 0.83 0.24 0.73 1.36 4.22 -1.26 -5.11 114.94 115.95 1p9j s ASN 6 Ca 0.05 -1.14 -0.11 0.00 -2.14 0.00 0.00 52.86 49.52 1p9j s ASN 6 Cb -0.13 0.33 0.03 0.00 1.28 0.00 0.00 41.25 42.76 1p9j s ASN 6 CO 0.02 -0.78 1.10 1.51 -2.04 0.00 0.00 177.10 176.92 1p9j s ASP 7 N -3.04 5.16 -0.30 3.54 -4.77 -1.26 -2.73 116.67 113.27 1p9j s ASP 7 Ca 0.24 1.16 -0.29 0.00 -3.30 0.00 0.00 52.55 50.35 1p9j s ASP 7 Cb 0.06 -1.92 0.01 0.00 -1.09 0.00 0.00 42.92 39.98 1p9j s ASP 7 CO 0.02 -1.53 1.19 0.00 0.70 0.00 0.00 175.17 175.55 1p9j n PRO 9 N 7.05 0.25 -0.03 0.00 -0.04 -1.26 -4.81 135.00 136.16 1p9j n PRO 9 Ca 0.13 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 1p9j n PRO 9 Cb 0.47 -0.91 -0.11 0.00 -0.04 0.00 0.00 33.50 32.91 1p9j n PRO 9 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 1p9j h LEU 10 N -0.48 -0.01 -8.82 1.53 -0.00 -2.03 -3.44 115.31 102.06 1p9j h LEU 10 Ca 0.00 -0.62 -0.58 0.00 -0.00 0.00 0.00 57.88 56.68 1p9j h LEU 10 Cb 0.48 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.05 1p9j h LEU 10 CO 0.00 0.62 0.70 -0.55 -0.00 0.00 0.00 178.44 179.20 1p9j s SER 11 N -5.82 6.70 -0.18 0.17 0.15 -1.26 -5.02 113.70 108.44 1p9j s SER 11 Ca -0.17 0.61 -0.16 0.00 0.70 0.00 0.00 55.95 56.93 1p9j s SER 11 Cb 0.00 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 1p9j s SER 11 CO 0.67 -0.94 0.39 -1.00 1.20 0.00 0.00 173.24 173.56 1p9j s HIS 12 N 3.68 3.42 0.70 3.44 3.76 -1.26 -4.85 115.29 124.18 1p9j s HIS 12 Ca 0.41 0.67 -0.11 0.00 -0.15 0.00 0.00 55.06 55.88 1p9j s HIS 12 Cb -0.11 -2.49 0.01 0.00 1.11 0.00 0.00 32.58 31.10 1p9j s HIS 12 CO 0.21 0.08 1.06 -0.51 -0.85 0.00 0.00 174.74 174.73 1p9j s ASP 13 N 0.84 5.36 0.00 1.40 1.01 -1.26 -5.02 116.67 119.01 1p9j s ASP 13 Ca 0.20 1.56 0.00 0.00 0.71 0.00 0.00 52.55 55.02 1p9j s ASP 13 Cb -0.14 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1p9j s ASP 13 CO 0.07 -1.45 0.00 0.61 0.21 0.00 0.00 175.17 174.62 1p9j n GLY 14 N -2.08 0.00 0.10 0.21 0.00 -1.26 -4.71 105.19 97.45 1p9j n GLY 14 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1p9j n GLY 14 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1p9j h TYR 15 N 0.00 0.00 -3.01 1.61 0.05 -1.95 -3.44 116.97 110.24 1p9j h TYR 15 Ca 0.00 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.15 1p9j h TYR 15 Cb 0.57 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.17 1p9j h TYR 15 CO 0.00 0.48 0.47 0.00 -1.05 0.00 0.00 178.16 178.06 1p9j s LEU 17 N 3.76 0.46 -0.12 0.00 0.05 -1.26 -4.81 118.68 116.76 1p9j s LEU 17 Ca 0.25 -1.11 -0.00 0.00 0.05 0.00 0.00 54.13 53.31 1p9j s LEU 17 Cb -0.15 1.85 0.00 0.00 -2.05 0.00 0.00 46.19 45.84 1p9j s LEU 17 CO 0.15 -1.26 0.10 1.57 -0.55 0.00 0.00 176.35 176.35 1p9j n HIS 18 N -0.46 -0.24 -3.41 3.48 -0.00 -1.26 -4.18 115.22 109.15 1p9j n HIS 18 Ca -0.02 0.09 -0.21 0.00 0.46 0.00 0.00 57.72 58.04 1p9j n HIS 18 Cb 0.61 -1.92 0.06 0.00 -0.12 0.00 0.00 29.99 28.62 1p9j n HIS 18 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1p9j n ASP 19 N -0.26 -6.18 -4.79 0.26 8.00 -1.26 -4.90 116.55 107.42 1p9j n ASP 19 Ca -0.02 -0.82 -0.35 0.00 0.71 0.00 0.00 54.79 54.32 1p9j n ASP 19 Cb 0.51 -4.51 -0.07 0.00 -0.02 0.00 0.00 41.12 37.02 1p9j n ASP 19 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1p9j s GLY 20 N -3.41 2.01 -0.44 0.44 0.00 -1.26 -4.79 107.32 99.87 1p9j s GLY 20 Ca 0.46 -0.76 -0.27 0.00 0.00 0.00 0.00 44.72 44.14 1p9j s GLY 20 CO 0.79 -0.55 1.03 0.14 0.00 0.00 0.00 173.10 174.51 1p9j s VAL 21 N -1.03 4.37 -0.07 1.40 1.01 -0.72 -4.90 120.40 120.47 1p9j s VAL 21 Ca 0.17 1.10 -0.19 0.00 0.00 0.00 0.00 61.98 63.06 1p9j s VAL 21 Cb -0.12 -4.49 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 1p9j s VAL 21 CO 0.06 -0.84 0.53 0.00 0.00 0.00 0.00 175.10 174.86 1p9j s MET 23 N 0.23 2.43 -0.09 0.00 -1.94 -0.30 -3.65 119.30 115.98 1p9j s MET 23 Ca 0.29 -0.88 -0.01 0.00 -1.71 0.00 0.00 55.69 53.38 1p9j s MET 23 Cb -0.17 -2.09 0.03 0.00 2.01 0.00 0.00 34.83 34.61 1p9j s MET 23 CO 0.14 0.39 -0.05 -0.47 -0.01 0.00 0.00 175.02 175.02 1p9j s TYR 24 N -0.20 1.14 -0.33 -0.03 5.04 -1.11 -1.12 117.35 120.75 1p9j s TYR 24 Ca -0.02 -0.49 0.00 0.00 -2.44 0.00 0.00 57.07 54.12 1p9j s TYR 24 Cb -0.13 -1.04 0.08 0.00 0.35 0.00 0.00 41.96 41.22 1p9j s TYR 24 CO 0.03 -0.42 0.03 0.42 -1.34 0.00 0.00 175.55 174.27 1p9j s ILE 25 N 1.74 2.70 0.50 3.14 1.09 -0.72 -4.54 121.20 125.10 1p9j s ILE 25 Ca 0.04 -1.83 0.19 0.00 -1.10 0.00 0.00 60.65 57.95 1p9j s ILE 25 Cb -0.13 -2.74 0.26 0.00 -1.06 0.00 0.00 42.46 38.79 1p9j s ILE 25 CO -0.06 -0.34 2.11 -0.33 -0.10 0.00 0.00 174.94 176.21 1p9j h GLU 26 N 7.86 0.00 -0.14 2.79 5.08 -1.94 -0.16 114.58 128.08 1p9j h GLU 26 Ca -0.15 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1p9j h GLU 26 Cb 1.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1p9j h GLU 26 CO 0.55 0.08 0.10 0.00 -1.00 0.00 0.00 179.01 178.73 1p9j h ALA 27 N 1.92 2.03 0.01 3.43 0.00 -1.94 -2.93 119.26 121.79 1p9j h ALA 27 Ca -0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 1p9j h ALA 27 Cb 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1p9j h ALA 27 CO 0.01 -0.05 -2.09 1.28 0.00 0.00 0.00 179.25 178.40 1p9j n LEU 28 N -4.51 0.78 0.00 0.00 4.77 -0.51 -4.44 117.00 113.10 1p9j n LEU 28 Ca -0.00 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1p9j n LEU 28 Cb 0.16 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1p9j n LEU 28 CO 0.35 0.51 0.00 -0.67 -1.33 0.00 0.00 177.39 176.25 1p9j n ASP 29 N -2.96 -2.87 -4.50 -1.43 2.03 -0.19 -5.02 116.55 101.60 1p9j n ASP 29 Ca -0.27 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.79 1p9j n ASP 29 Cb 1.09 -0.49 -0.10 0.00 -0.72 0.00 0.00 41.12 40.90 1p9j n ASP 29 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1p9j s LYS 30 N -0.01 1.79 0.40 -0.67 -0.14 -1.20 -4.97 119.74 114.94 1p9j s LYS 30 Ca 0.00 -2.01 0.07 0.00 -1.36 0.00 0.00 55.97 52.67 1p9j s LYS 30 Cb 0.00 -1.14 -0.06 0.00 -1.68 0.00 0.00 37.83 34.96 1p9j s LYS 30 CO 0.00 -0.17 0.14 0.71 -0.76 0.00 0.00 175.35 175.28 1p9j s TYR 31 N -3.08 2.60 -0.18 3.18 2.02 -1.26 -1.76 117.35 118.86 1p9j s TYR 31 Ca 0.34 -0.57 -0.13 0.00 -0.37 0.00 0.00 57.07 56.34 1p9j s TYR 31 Cb 0.09 -1.88 0.05 0.00 -0.40 0.00 0.00 41.96 39.82 1p9j s TYR 31 CO 0.16 0.25 0.45 0.00 -1.57 0.00 0.00 175.55 174.84 1p9j s ALA 32 N -2.60 -1.13 0.03 3.71 0.00 -0.28 -4.98 121.76 116.52 1p9j s ALA 32 Ca 0.40 1.47 0.07 0.00 0.00 0.00 0.00 51.96 53.89 1p9j s ALA 32 Cb 0.04 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1p9j s ALA 32 CO 0.22 -0.25 -0.18 0.00 0.00 0.00 0.00 175.76 175.55 1p9j s ASN 34 N -1.33 3.39 0.34 0.00 3.04 -0.71 -4.97 114.94 114.71 1p9j s ASN 34 Ca 0.14 -0.82 0.03 0.00 0.04 0.00 0.00 52.86 52.26 1p9j s ASN 34 Cb -0.10 -0.24 -0.04 0.00 -1.54 0.00 0.00 41.25 39.32 1p9j s ASN 34 CO 0.04 0.15 0.11 0.00 -3.04 0.00 0.00 177.10 174.36 1p9j s VAL 36 N -3.38 4.06 0.14 0.00 1.01 -1.26 -5.01 120.40 115.96 1p9j s VAL 36 Ca 0.32 0.94 -0.30 0.00 0.00 0.00 0.00 61.98 62.93 1p9j s VAL 36 Cb 0.06 -3.49 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 1p9j s VAL 36 CO 0.15 -0.61 1.17 0.54 0.00 0.00 0.00 175.10 176.35 1p9j s VAL 37 N -2.58 3.79 0.00 2.92 0.11 -1.26 -3.47 120.40 119.92 1p9j s VAL 37 Ca 0.61 1.44 0.00 0.00 -2.93 0.00 0.00 61.98 61.10 1p9j s VAL 37 Cb -0.14 -3.92 0.00 0.00 -1.53 0.00 0.00 36.38 30.79 1p9j s VAL 37 CO 0.38 0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.95 1p9j n GLY 38 N 2.49 0.54 2.91 6.54 0.00 -1.26 -5.01 105.19 111.40 1p9j n GLY 38 Ca 0.05 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 1p9j n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p9j s TYR 39 N -2.00 2.53 0.50 1.61 2.02 -1.23 -1.03 117.35 119.76 1p9j s TYR 39 Ca 0.00 -2.02 0.05 0.00 -0.37 0.00 0.00 57.07 54.73 1p9j s TYR 39 Cb 0.00 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 1p9j s TYR 39 CO 0.00 -0.83 0.23 0.96 -1.57 0.00 0.00 175.55 174.34 1p9j s ILE 40 N 1.34 1.67 0.00 2.71 -4.36 0.45 -4.60 121.20 118.41 1p9j s ILE 40 Ca 0.01 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 1p9j s ILE 40 Cb -0.19 -2.36 0.00 0.00 1.25 0.00 0.00 42.46 41.17 1p9j s ILE 40 CO -0.11 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.68 1p9j n GLY 41 N -1.49 -0.02 0.29 6.27 0.00 -1.26 -0.86 105.19 108.12 1p9j n GLY 41 Ca -0.07 -1.73 0.18 0.00 0.00 0.00 0.00 46.02 44.40 1p9j n GLY 41 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1p9j h GLU 42 N 0.00 0.00 -0.16 1.61 3.07 -1.96 -1.48 114.58 115.66 1p9j h GLU 42 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1p9j h GLU 42 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1p9j h GLU 42 CO 0.00 0.04 0.00 2.89 -1.40 0.00 0.00 179.01 180.54 1p9j n ARG 43 N -3.26 2.53 -3.80 2.33 1.85 -1.26 -4.76 116.66 110.29 1p9j n ARG 43 Ca -0.01 -2.26 -0.30 0.00 -1.00 0.00 0.00 57.85 54.28 1p9j n ARG 43 Cb 0.21 -1.42 0.02 0.00 -1.05 0.00 0.00 32.46 30.23 1p9j n ARG 43 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1p9j n GLN 45 N -4.32 1.11 -4.02 0.00 -0.06 -0.04 -4.64 117.38 105.41 1p9j n GLN 45 Ca -0.18 0.05 -0.22 0.00 -2.00 0.00 0.00 57.00 54.65 1p9j n GLN 45 Cb 0.63 -1.28 -0.03 0.00 -4.06 0.00 0.00 30.24 25.50 1p9j n GLN 45 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 1p9j s TYR 46 N -2.27 3.34 0.06 3.69 1.51 -0.86 -4.89 117.35 117.92 1p9j s TYR 46 Ca -0.13 -0.04 -0.00 0.00 -1.01 0.00 0.00 57.07 55.89 1p9j s TYR 46 Cb 0.04 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 1p9j s TYR 46 CO 0.37 0.47 0.21 1.03 -1.11 0.00 0.00 175.55 176.53 1p9j s ARG 47 N -3.84 3.45 -0.99 -0.62 0.52 -1.26 -0.41 118.95 115.79 1p9j s ARG 47 Ca 0.34 -0.42 -0.21 0.00 -0.52 0.00 0.00 55.73 54.92 1p9j s ARG 47 Cb -0.09 -3.04 0.08 0.00 0.52 0.00 0.00 34.95 32.42 1p9j s ARG 47 CO 0.27 0.61 1.34 0.34 0.02 0.00 0.00 175.30 177.89 1p9j s ASP 48 N -2.46 6.55 0.62 0.23 2.15 -0.19 -4.84 116.67 118.74 1p9j s ASP 48 Ca 0.35 -1.68 0.41 0.00 0.43 0.00 0.00 52.55 52.05 1p9j s ASP 48 Cb -0.13 -2.51 2.08 0.00 -0.30 0.00 0.00 42.92 42.06 1p9j s ASP 48 CO 0.27 -1.35 2.23 -0.07 -0.17 0.00 0.00 175.17 176.09 1p9j h LEU 49 N 11.95 0.00 -1.07 -1.34 4.07 -1.96 -3.16 115.31 123.81 1p9j h LEU 49 Ca 0.19 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.05 1p9j h LEU 49 Cb 1.01 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 1p9j h LEU 49 CO 1.32 0.00 -0.45 0.11 -1.08 0.00 0.00 178.44 178.33 1p9j h LYS 50 N 0.00 0.03 0.14 1.13 1.79 -1.94 -1.98 116.57 115.74 1p9j h LYS 50 Ca 0.00 -0.01 -0.28 0.00 -2.18 0.00 0.00 60.65 58.17 1p9j h LYS 50 Cb 0.15 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1p9j h LYS 50 CO 0.00 0.48 -1.26 0.11 -1.08 0.00 0.00 179.45 177.70 1p9j h TRP 51 N 0.02 0.63 0.69 -1.35 5.08 -1.99 -3.37 115.95 115.66 1p9j h TRP 51 Ca -0.00 -0.45 -0.03 0.00 1.08 0.00 0.00 58.89 59.49 1p9j h TRP 51 Cb 0.81 -0.03 0.01 0.00 -3.00 0.00 0.00 29.16 26.95 1p9j h TRP 51 CO 0.00 1.33 -0.33 -1.49 -1.28 0.00 0.00 178.44 176.68 1p9j h TRP 52 N 0.12 -0.85 -0.97 0.12 4.06 -1.64 -3.31 115.95 113.47 1p9j h TRP 52 Ca -0.16 -0.02 -0.50 0.00 2.06 0.00 0.00 58.89 60.27 1p9j h TRP 52 Cb 1.97 0.28 -0.19 0.00 -1.00 0.00 0.00 29.16 30.22 1p9j h TRP 52 CO 0.08 -0.50 0.57 -1.91 -3.56 0.00 0.00 178.44 173.12 1p9j n GLU 53 N -5.43 2.29 0.00 0.49 4.07 -0.77 -5.15 120.64 116.14 1p9j n GLU 53 Ca -0.13 -2.39 0.10 0.00 -0.06 0.00 0.00 57.16 54.68 1p9j n GLU 53 Cb 0.38 -2.00 0.08 0.00 -0.06 0.00 0.00 31.44 29.84 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96