#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 0.14 -0.27 1.55 0.11 -1.26 -4.95 120.40 115.72 1p9j s VAL 2 Ca 0.00 -1.74 0.09 0.00 -2.93 0.00 0.00 61.98 57.40 1p9j s VAL 2 Cb 0.00 -1.79 0.46 0.00 -1.53 0.00 0.00 36.38 33.53 1p9j s VAL 2 CO 0.00 -0.63 1.34 -1.54 -3.33 0.00 0.00 175.10 170.94 1p9j n SER 3 N -0.04 2.56 -4.67 3.54 3.41 -1.26 -5.01 113.62 112.16 1p9j n SER 3 Ca -0.09 -3.84 -0.29 0.00 -0.26 0.00 0.00 58.87 54.38 1p9j n SER 3 Cb 0.63 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 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 -3.31 2.92 0.02 7.33 0.09 -1.26 -5.13 115.29 115.96 1p9j s HIS 4 Ca 0.43 -0.07 -0.04 0.00 -0.00 0.00 0.00 55.06 55.38 1p9j s HIS 4 Cb 0.39 -1.48 -0.04 0.00 -0.00 0.00 0.00 32.58 31.45 1p9j s HIS 4 CO -0.03 0.48 0.24 -0.06 -0.00 0.00 0.00 174.74 175.37 1p9j s PHE 5 N -1.41 3.55 -0.03 1.40 0.40 -1.26 -5.11 117.98 115.52 1p9j s PHE 5 Ca 0.26 0.45 -0.01 0.00 -0.60 0.00 0.00 56.93 57.03 1p9j s PHE 5 Cb -0.11 -1.90 0.03 0.00 0.51 0.00 0.00 43.02 41.55 1p9j s PHE 5 CO 0.18 0.60 0.04 -0.80 0.70 0.00 0.00 175.22 175.94 1p9j s ASN 6 N -1.98 0.40 0.15 1.36 -0.87 -1.26 -5.12 114.94 107.62 1p9j s ASN 6 Ca 0.30 0.04 -0.27 0.00 -1.57 0.00 0.00 52.86 51.36 1p9j s ASN 6 Cb -0.13 -0.10 -0.07 0.00 -0.02 0.00 0.00 41.25 40.92 1p9j s ASN 6 CO 0.20 -0.16 0.85 -0.62 -2.57 0.00 0.00 177.10 174.80 1p9j s ASP 7 N 1.37 7.44 -0.33 -1.22 2.15 -1.26 -4.45 116.67 120.37 1p9j s ASP 7 Ca -0.05 1.71 -0.29 0.00 0.43 0.00 0.00 52.55 54.35 1p9j s ASP 7 Cb -0.13 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 39.88 1p9j s ASP 7 CO -0.03 0.10 2.28 0.00 -0.17 0.00 0.00 175.17 177.35 1p9j h PRO 9 N 15.57 0.00 -0.25 0.00 0.13 -1.94 -3.41 132.00 142.10 1p9j h PRO 9 Ca -0.34 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.59 1p9j h PRO 9 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1p9j h PRO 9 CO 1.03 0.00 -0.62 1.37 -0.23 0.00 0.00 178.00 179.54 1p9j h LEU 10 N -0.90 0.98-10.24 1.56 -0.00 -2.05 -3.45 115.31 101.21 1p9j h LEU 10 Ca 0.00 -0.56 -0.48 0.00 -0.00 0.00 0.00 57.88 56.83 1p9j h LEU 10 Cb 0.41 -0.28 0.03 0.00 -0.00 0.00 0.00 40.66 40.82 1p9j h LEU 10 CO 0.00 1.37 0.39 -0.55 -0.00 0.00 0.00 178.44 179.64 1p9j s SER 11 N -7.00 6.49 0.17 0.17 0.15 -1.26 -5.09 113.70 107.33 1p9j s SER 11 Ca -0.11 1.54 0.11 0.00 0.70 0.00 0.00 55.95 58.19 1p9j s SER 11 Cb 0.10 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 1p9j s SER 11 CO 0.90 -0.68 -0.21 -1.00 1.20 0.00 0.00 173.24 173.45 1p9j s HIS 12 N -2.77 2.40 0.65 3.44 3.76 -1.26 -4.90 115.29 116.61 1p9j s HIS 12 Ca 0.58 -0.32 -0.11 0.00 -0.15 0.00 0.00 55.06 55.06 1p9j s HIS 12 Cb -0.10 -1.21 -0.02 0.00 1.11 0.00 0.00 32.58 32.36 1p9j s HIS 12 CO 0.37 0.47 1.06 0.34 -0.85 0.00 0.00 174.74 176.13 1p9j s ASP 13 N -2.57 5.93 0.19 1.40 -1.08 -1.26 -4.97 116.67 114.30 1p9j s ASP 13 Ca 0.20 1.31 0.00 0.00 -0.52 0.00 0.00 52.55 53.54 1p9j s ASP 13 Cb -0.09 -2.26 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 1p9j s ASP 13 CO 0.10 -1.05 0.00 0.61 0.52 0.00 0.00 175.17 175.35 1p9j n GLY 14 N -2.85 -1.01 0.10 2.66 0.00 -1.26 -4.97 105.19 97.87 1p9j n GLY 14 Ca 0.06 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 1p9j n GLY 14 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1p9j h TYR 15 N 0.00 0.00 -3.24 1.61 3.20 -2.01 -3.45 116.97 113.08 1p9j h TYR 15 Ca 0.00 0.00 -0.57 0.00 3.14 0.00 0.00 58.73 61.30 1p9j h TYR 15 Cb 0.00 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 1p9j h TYR 15 CO 0.00 0.67 -0.08 0.00 -1.64 0.00 0.00 178.16 177.11 1p9j s LEU 17 N -1.46 2.86 -1.29 0.00 1.02 -1.18 -4.70 118.68 113.92 1p9j s LEU 17 Ca 0.32 -1.21 -0.01 0.00 0.02 0.00 0.00 54.13 53.26 1p9j s LEU 17 Cb -0.17 -1.07 0.00 0.00 0.02 0.00 0.00 46.19 44.97 1p9j s LEU 17 CO 0.18 -0.32 0.78 1.57 0.02 0.00 0.00 176.35 178.58 1p9j n HIS 18 N -0.92 -1.99 -3.24 0.29 -0.00 -1.26 -3.72 115.22 104.37 1p9j n HIS 18 Ca -0.04 0.87 -0.10 0.00 0.46 0.00 0.00 57.72 58.90 1p9j n HIS 18 Cb 0.65 -4.54 0.03 0.00 -0.12 0.00 0.00 29.99 26.00 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 -3.07 -6.95 -4.85 0.26 8.00 -1.26 -5.01 116.55 103.67 1p9j n ASP 19 Ca -0.28 -0.46 -0.32 0.00 0.71 0.00 0.00 54.79 54.44 1p9j n ASP 19 Cb 0.67 -4.87 -0.02 0.00 -0.02 0.00 0.00 41.12 36.89 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 -3.19 1.90 -0.48 0.44 0.00 -1.24 -5.01 107.32 99.73 1p9j s GLY 20 Ca 0.22 0.06 -0.23 0.00 0.00 0.00 0.00 44.72 44.77 1p9j s GLY 20 CO 0.77 0.33 0.82 0.14 0.00 0.00 0.00 173.10 175.15 1p9j s VAL 21 N -2.83 4.59 -0.35 1.40 1.01 -0.38 -4.93 120.40 118.92 1p9j s VAL 21 Ca 0.57 0.34 -0.23 0.00 0.00 0.00 0.00 61.98 62.65 1p9j s VAL 21 Cb -0.10 -4.38 0.01 0.00 0.00 0.00 0.00 36.38 31.90 1p9j s VAL 21 CO 0.40 -0.83 0.79 0.00 0.00 0.00 0.00 175.10 175.45 1p9j s MET 23 N 3.09 1.39 -0.32 0.00 -1.94 -0.04 -2.33 119.30 119.14 1p9j s MET 23 Ca 0.32 -1.87 -0.13 0.00 -1.71 0.00 0.00 55.69 52.30 1p9j s MET 23 Cb -0.13 -2.85 -0.02 0.00 2.01 0.00 0.00 34.83 33.83 1p9j s MET 23 CO 0.16 -1.01 0.28 -0.47 -0.01 0.00 0.00 175.02 173.97 1p9j s TYR 24 N 0.75 3.22 -0.40 -0.03 5.04 -1.26 -1.39 117.35 123.28 1p9j s TYR 24 Ca 0.13 -0.04 -0.12 0.00 -2.44 0.00 0.00 57.07 54.60 1p9j s TYR 24 Cb -0.21 -2.52 0.04 0.00 0.35 0.00 0.00 41.96 39.62 1p9j s TYR 24 CO -0.09 -0.33 0.26 0.42 -1.34 0.00 0.00 175.55 174.47 1p9j s ILE 25 N 1.85 4.74 0.22 3.14 1.01 -0.87 -4.89 121.20 126.40 1p9j s ILE 25 Ca 0.09 -0.95 -0.07 0.00 0.00 0.00 0.00 60.65 59.72 1p9j s ILE 25 Cb -0.17 -3.72 0.14 0.00 0.01 0.00 0.00 42.46 38.73 1p9j s ILE 25 CO 0.11 -0.35 1.77 -0.08 0.00 0.00 0.00 174.94 176.38 1p9j h GLU 26 N 8.52 1.12 -0.48 2.79 4.81 -1.93 0.84 114.58 130.25 1p9j h GLU 26 Ca -0.26 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1p9j h GLU 26 Cb 1.10 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1p9j h GLU 26 CO 0.73 0.94 0.31 0.00 -0.73 0.00 0.00 179.01 180.26 1p9j h ALA 27 N 1.18 0.61 0.00 2.92 0.00 -1.94 -2.94 119.26 119.09 1p9j h ALA 27 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1p9j h ALA 27 Cb 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1p9j h ALA 27 CO -0.01 0.08 -0.63 1.28 0.00 0.00 0.00 179.25 179.97 1p9j n LEU 28 N -4.73 0.66 0.00 0.00 4.32 -1.13 -4.14 117.00 111.97 1p9j n LEU 28 Ca 0.02 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 1p9j n LEU 28 Cb 0.04 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 1p9j n LEU 28 CO 0.35 -0.02 0.00 -0.67 -1.22 0.00 0.00 177.39 175.83 1p9j n ASP 29 N -2.02 -1.83 -4.37 -1.43 2.03 0.27 -5.03 116.55 104.18 1p9j n ASP 29 Ca 0.03 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.07 1p9j n ASP 29 Cb 0.42 -0.31 -0.13 0.00 -0.72 0.00 0.00 41.12 40.39 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 -0.17 1.35 -0.06 -0.67 -0.14 -1.13 -4.94 119.74 113.98 1p9j s LYS 30 Ca 0.00 -1.34 -0.02 0.00 -1.36 0.00 0.00 55.97 53.25 1p9j s LYS 30 Cb 0.00 -1.75 -0.04 0.00 -1.68 0.00 0.00 37.83 34.37 1p9j s LYS 30 CO 0.00 0.40 0.05 0.71 -0.76 0.00 0.00 175.35 175.75 1p9j s TYR 31 N -1.25 3.26 0.08 3.18 1.51 -1.26 -2.05 117.35 120.82 1p9j s TYR 31 Ca 0.14 0.24 -0.18 0.00 -1.01 0.00 0.00 57.07 56.25 1p9j s TYR 31 Cb -0.09 -1.78 0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1p9j s TYR 31 CO 0.06 0.54 0.44 0.00 -1.11 0.00 0.00 175.55 175.47 1p9j s ALA 32 N -1.03 -1.06 -0.04 3.71 0.00 -0.49 -4.99 121.76 117.87 1p9j s ALA 32 Ca 0.17 0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.36 1p9j s ALA 32 Cb -0.12 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1p9j s ALA 32 CO 0.07 -0.54 0.06 0.00 0.00 0.00 0.00 175.76 175.35 1p9j s ASN 34 N -1.45 3.07 0.45 0.00 2.47 -0.49 -4.95 114.94 114.04 1p9j s ASN 34 Ca 0.20 -0.47 0.03 0.00 0.42 0.00 0.00 52.86 53.04 1p9j s ASN 34 Cb -0.12 -0.39 -0.02 0.00 -1.45 0.00 0.00 41.25 39.27 1p9j s ASN 34 CO 0.10 0.31 0.07 0.00 -3.72 0.00 0.00 177.10 173.86 1p9j s VAL 36 N -3.05 4.50 0.17 0.00 1.01 -1.26 -5.04 120.40 116.74 1p9j s VAL 36 Ca 0.16 0.81 -0.30 0.00 0.00 0.00 0.00 61.98 62.65 1p9j s VAL 36 Cb 0.02 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 1p9j s VAL 36 CO 0.09 -1.06 1.20 0.54 0.00 0.00 0.00 175.10 175.87 1p9j s VAL 37 N -3.17 3.62 0.00 2.92 0.11 -1.26 -3.61 120.40 119.01 1p9j s VAL 37 Ca 0.56 1.33 0.00 0.00 -2.93 0.00 0.00 61.98 60.94 1p9j s VAL 37 Cb -0.12 -3.85 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 1p9j s VAL 37 CO 0.54 0.20 0.00 0.61 -3.33 0.00 0.00 175.10 173.12 1p9j n GLY 38 N 2.31 0.59 3.04 6.54 0.00 -1.26 -5.03 105.19 111.37 1p9j n GLY 38 Ca 0.05 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 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 2.35 0.42 1.61 1.51 -1.24 -1.25 117.35 118.75 1p9j s TYR 39 Ca 0.00 -1.38 0.07 0.00 -1.01 0.00 0.00 57.07 54.75 1p9j s TYR 39 Cb 0.00 -1.68 -0.07 0.00 -0.11 0.00 0.00 41.96 40.11 1p9j s TYR 39 CO 0.00 -0.71 0.06 0.96 -1.11 0.00 0.00 175.55 174.75 1p9j s ILE 40 N 1.43 2.03 0.00 2.71 -4.36 0.17 -4.74 121.20 118.43 1p9j s ILE 40 Ca 0.04 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 1p9j s ILE 40 Cb -0.13 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.64 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 -1.07 0.77 0.30 6.27 0.00 -1.26 -1.88 105.19 108.33 1p9j n GLY 41 Ca -0.05 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 44.08 1p9j n GLY 41 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1p9j h GLU 42 N 0.00 0.98 -0.45 1.61 9.09 -2.01 -2.45 114.58 121.36 1p9j h GLU 42 Ca 0.00 -0.29 -0.10 0.00 0.05 0.00 0.00 59.36 59.02 1p9j h GLU 42 Cb 0.00 -0.10 -0.06 0.00 -1.65 0.00 0.00 28.75 26.94 1p9j h GLU 42 CO 0.00 0.96 0.07 2.89 0.05 0.00 0.00 179.01 182.98 1p9j n ARG 43 N -4.19 3.10 -3.62 1.06 1.85 -1.26 -4.97 116.66 108.63 1p9j n ARG 43 Ca 0.03 -3.01 -0.23 0.00 -1.00 0.00 0.00 57.85 53.64 1p9j n ARG 43 Cb 0.33 -1.99 0.07 0.00 -1.05 0.00 0.00 32.46 29.82 1p9j n ARG 43 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1p9j h GLN 45 N -2.38 0.24 -6.27 0.00 4.15 -1.63 -3.41 115.11 105.80 1p9j h GLN 45 Ca -0.58 -0.41 -0.57 0.00 0.77 0.00 0.00 58.65 57.87 1p9j h GLN 45 Cb 1.36 0.15 -0.04 0.00 0.21 0.00 0.00 27.48 29.16 1p9j h GLN 45 CO 0.57 1.19 -0.00 0.71 -1.93 0.00 0.00 178.83 179.37 1p9j s TYR 46 N -2.45 3.82 -0.27 3.99 2.02 -0.79 -4.86 117.35 118.81 1p9j s TYR 46 Ca -0.19 1.33 -0.11 0.00 -0.37 0.00 0.00 57.07 57.73 1p9j s TYR 46 Cb 0.03 -2.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.00 1p9j s TYR 46 CO 0.77 0.57 0.20 -0.98 -1.57 0.00 0.00 175.55 174.54 1p9j s ARG 47 N -1.09 3.98 -0.90 -0.62 3.03 -1.26 -0.66 118.95 121.43 1p9j s ARG 47 Ca 0.30 -0.28 -0.17 0.00 2.03 0.00 0.00 55.73 57.61 1p9j s ARG 47 Cb -0.20 -3.64 0.16 0.00 -1.03 0.00 0.00 34.95 30.24 1p9j s ARG 47 CO 0.20 -0.15 1.00 0.34 -1.13 0.00 0.00 175.30 175.57 1p9j s ASP 48 N 1.63 6.69 0.00 -2.89 2.15 -0.38 -4.89 116.67 118.98 1p9j s ASP 48 Ca 0.08 -2.29 0.09 0.00 0.43 0.00 0.00 52.55 50.85 1p9j s ASP 48 Cb -0.16 -2.33 0.28 0.00 -0.30 0.00 0.00 42.92 40.41 1p9j s ASP 48 CO 0.10 -0.88 1.22 0.18 -0.17 0.00 0.00 175.17 175.62 1p9j n LEU 49 N 5.60 1.33 -0.11 -1.34 4.77 -1.26 -4.09 117.00 121.91 1p9j n LEU 49 Ca 0.21 -0.66 -0.12 0.00 -0.03 0.00 0.00 56.01 55.41 1p9j n LEU 49 Cb 0.48 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1p9j n LEU 49 CO 0.44 0.33 0.68 0.11 -1.33 0.00 0.00 177.39 177.62 1p9j h LYS 50 N 1.48 0.63 0.00 3.23 6.56 -1.92 -3.09 116.57 123.47 1p9j h LYS 50 Ca 0.00 -0.26 -0.20 0.00 -1.06 0.00 0.00 60.65 59.12 1p9j h LYS 50 Cb 0.34 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.95 1p9j h LYS 50 CO 0.00 0.84 -0.96 0.11 -2.06 0.00 0.00 179.45 177.38 1p9j h TRP 51 N 0.40 0.01 -0.34 -1.35 5.08 -1.98 -3.28 115.95 114.48 1p9j h TRP 51 Ca 0.07 -0.01 -0.02 0.00 1.08 0.00 0.00 58.89 60.02 1p9j h TRP 51 Cb 0.64 -0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.78 1p9j h TRP 51 CO 0.06 0.96 0.13 -1.49 -1.28 0.00 0.00 178.44 176.82 1p9j h TRP 52 N 0.00 0.46 -2.74 0.12 4.06 -1.77 -3.20 115.95 112.88 1p9j h TRP 52 Ca -0.01 -0.01 -0.68 0.00 2.06 0.00 0.00 58.89 60.25 1p9j h TRP 52 Cb 1.69 -0.15 -0.37 0.00 -1.00 0.00 0.00 29.16 29.33 1p9j h TRP 52 CO 0.00 0.37 -0.16 -1.91 -3.56 0.00 0.00 178.44 173.19 1p9j n GLU 53 N -4.40 2.92 0.00 0.49 4.07 -1.17 -5.14 120.64 117.41 1p9j n GLU 53 Ca 0.02 -4.58 0.00 0.00 -0.06 0.00 0.00 57.16 52.54 1p9j n GLU 53 Cb 0.14 -2.36 0.00 0.00 -0.06 0.00 0.00 31.44 29.16 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96