#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 5.09 -0.25 3.34 0.11 -1.26 -4.48 120.40 122.95 1p9j s VAL 2 Ca 0.00 0.81 -0.14 0.00 -2.93 0.00 0.00 61.98 59.72 1p9j s VAL 2 Cb 0.00 -3.80 -0.10 0.00 -1.53 0.00 0.00 36.38 30.95 1p9j s VAL 2 CO 0.00 0.10 -0.34 -1.20 -3.33 0.00 0.00 175.10 170.33 1p9j n SER 3 N 5.48 1.88 -4.44 3.54 7.64 -1.26 -5.01 113.62 121.46 1p9j n SER 3 Ca -0.05 0.32 -0.22 0.00 1.01 0.00 0.00 58.87 59.93 1p9j n SER 3 Cb 0.50 -0.77 -0.10 0.00 -1.01 0.00 0.00 64.21 62.83 1p9j n SER 3 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1p9j s HIS 4 N -2.57 2.11 -0.04 1.43 4.02 -1.26 -5.14 115.29 113.84 1p9j s HIS 4 Ca -0.35 -0.45 0.04 0.00 1.02 0.00 0.00 55.06 55.32 1p9j s HIS 4 Cb 0.12 -0.99 -0.03 0.00 -1.02 0.00 0.00 32.58 30.67 1p9j s HIS 4 CO 0.46 0.57 -0.13 0.12 1.02 0.00 0.00 174.74 176.77 1p9j s PHE 5 N -2.69 2.73 0.13 1.40 2.19 -1.26 -4.93 117.98 115.54 1p9j s PHE 5 Ca 0.28 -0.14 0.03 0.00 0.33 0.00 0.00 56.93 57.43 1p9j s PHE 5 Cb -0.02 -1.62 -0.04 0.00 -1.31 0.00 0.00 43.02 40.02 1p9j s PHE 5 CO 0.13 0.22 -0.08 -0.80 1.83 0.00 0.00 175.22 176.52 1p9j s ASN 6 N -0.86 1.53 0.45 6.13 0.02 -1.26 -5.16 114.94 115.79 1p9j s ASN 6 Ca 0.12 -1.02 0.04 0.00 -1.02 0.00 0.00 52.86 50.97 1p9j s ASN 6 Cb -0.11 0.04 0.01 0.00 0.02 0.00 0.00 41.25 41.21 1p9j s ASN 6 CO 0.02 -0.40 0.64 -1.81 0.02 0.00 0.00 177.10 175.57 1p9j s ASP 7 N -3.13 5.65 0.40 -1.22 1.01 -1.26 -4.81 116.67 113.31 1p9j s ASP 7 Ca 0.16 -0.06 -0.12 0.00 0.71 0.00 0.00 52.55 53.23 1p9j s ASP 7 Cb 0.04 -1.07 -0.07 0.00 1.01 0.00 0.00 42.92 42.83 1p9j s ASP 7 CO -0.01 -0.79 0.80 0.00 0.21 0.00 0.00 175.17 175.37 1p9j s PRO 9 N -3.69 2.60 0.15 0.00 0.04 -1.26 -4.94 135.00 127.88 1p9j s PRO 9 Ca 0.53 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 1p9j s PRO 9 Cb -0.10 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1p9j s PRO 9 CO 0.28 -1.39 1.56 1.25 0.04 0.00 0.00 177.00 178.74 1p9j h LEU 10 N -0.53 -1.71 -7.05 -3.56 5.85 -2.00 -3.38 115.31 102.93 1p9j h LEU 10 Ca -0.45 0.25 -0.46 0.00 0.84 0.00 0.00 57.88 58.05 1p9j h LEU 10 Cb 1.23 0.73 -0.41 0.00 0.37 0.00 0.00 40.66 42.58 1p9j h LEU 10 CO 0.53 -0.37 -0.75 -0.55 -0.34 0.00 0.00 178.44 176.96 1p9j s SER 11 N -5.11 2.36 0.00 1.25 0.15 -1.26 -4.98 113.70 106.12 1p9j s SER 11 Ca -0.14 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 55.89 1p9j s SER 11 Cb 0.10 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 1p9j s SER 11 CO 0.63 -0.35 0.00 1.57 1.20 0.00 0.00 173.24 176.29 1p9j n HIS 12 N 5.28 0.00 -4.02 3.44 -0.00 -1.26 -5.12 115.22 113.54 1p9j n HIS 12 Ca -0.07 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.90 1p9j n HIS 12 Cb 0.49 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.33 1p9j n HIS 12 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1p9j s ASP 13 N -1.91 5.92 -0.01 0.26 -1.08 -1.26 -5.05 116.67 113.55 1p9j s ASP 13 Ca 0.00 -0.09 0.01 0.00 -0.52 0.00 0.00 52.55 51.94 1p9j s ASP 13 Cb 0.00 -1.62 0.01 0.00 -1.46 0.00 0.00 42.92 39.85 1p9j s ASP 13 CO 0.00 -0.07 0.74 0.61 0.52 0.00 0.00 175.17 176.97 1p9j n GLY 14 N -1.31 -1.06 0.12 2.66 0.00 -1.26 -4.79 105.19 99.55 1p9j n GLY 14 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.41 1.61 3.20 -1.98 -3.43 116.97 112.97 1p9j h TYR 15 Ca 0.00 0.00 -0.59 0.00 3.14 0.00 0.00 58.73 61.28 1p9j h TYR 15 Cb 1.11 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.28 1p9j h TYR 15 CO 0.04 0.61 -0.21 0.00 -1.64 0.00 0.00 178.16 176.96 1p9j s LEU 17 N 0.99 3.39 -1.59 0.00 2.01 -0.01 -4.43 118.68 119.05 1p9j s LEU 17 Ca 0.20 -0.19 -0.01 0.00 0.01 0.00 0.00 54.13 54.14 1p9j s LEU 17 Cb -0.14 -2.73 0.00 0.00 0.01 0.00 0.00 46.19 43.33 1p9j s LEU 17 CO 0.07 -1.04 0.08 1.57 1.01 0.00 0.00 176.35 178.04 1p9j n HIS 18 N -2.19 -1.22 -3.27 0.29 -0.00 -1.26 -3.37 115.22 104.19 1p9j n HIS 18 Ca 0.08 0.07 -0.16 0.00 0.46 0.00 0.00 57.72 58.18 1p9j n HIS 18 Cb 0.60 -3.75 0.01 0.00 -0.12 0.00 0.00 29.99 26.73 1p9j n HIS 18 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1p9j n ASP 19 N -2.03 -6.69 -4.94 0.26 2.03 -1.26 -4.98 116.55 98.94 1p9j n ASP 19 Ca -0.21 -0.15 -0.24 0.00 0.52 0.00 0.00 54.79 54.71 1p9j n ASP 19 Cb 0.66 -3.75 0.01 0.00 -0.72 0.00 0.00 41.12 37.32 1p9j n ASP 19 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1p9j s GLY 20 N -2.60 1.50 -0.65 0.27 0.00 -1.22 -4.90 107.32 99.73 1p9j s GLY 20 Ca 0.14 -0.88 -0.25 0.00 0.00 0.00 0.00 44.72 43.74 1p9j s GLY 20 CO 0.82 -0.72 1.06 0.14 0.00 0.00 0.00 173.10 174.39 1p9j s VAL 21 N -2.59 4.16 0.31 1.40 1.01 -0.01 -4.90 120.40 119.79 1p9j s VAL 21 Ca 0.47 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.27 1p9j s VAL 21 Cb -0.10 -4.71 -0.09 0.00 0.00 0.00 0.00 36.38 31.48 1p9j s VAL 21 CO 0.40 -1.46 1.06 0.00 0.00 0.00 0.00 175.10 175.10 1p9j s MET 23 N -1.73 0.78 -0.15 0.00 -1.94 -0.36 -3.30 119.30 112.61 1p9j s MET 23 Ca 0.48 -0.23 0.01 0.00 -1.71 0.00 0.00 55.69 54.23 1p9j s MET 23 Cb -0.28 -1.66 0.02 0.00 2.01 0.00 0.00 34.83 34.92 1p9j s MET 23 CO 0.36 -0.47 -0.16 -0.47 -0.01 0.00 0.00 175.02 174.26 1p9j s TYR 24 N 1.86 2.33 -0.11 -0.03 5.04 -1.26 -1.11 117.35 124.07 1p9j s TYR 24 Ca 0.02 -1.29 -0.00 0.00 -2.44 0.00 0.00 57.07 53.36 1p9j s TYR 24 Cb -0.15 -1.67 0.02 0.00 0.35 0.00 0.00 41.96 40.52 1p9j s TYR 24 CO -0.07 -0.67 -0.09 0.96 -1.34 0.00 0.00 175.55 174.34 1p9j s ILE 25 N 1.30 1.11 0.35 3.14 -0.00 -1.20 -4.71 121.20 121.20 1p9j s ILE 25 Ca 0.02 -0.35 0.08 0.00 -0.00 0.00 0.00 60.65 60.40 1p9j s ILE 25 Cb -0.13 -1.11 0.12 0.00 -0.00 0.00 0.00 42.46 41.34 1p9j s ILE 25 CO -0.09 0.38 1.84 -0.33 -0.00 0.00 0.00 174.94 176.74 1p9j h GLU 26 N 8.06 0.25 0.07 0.37 5.08 -1.94 -1.93 114.58 124.54 1p9j h GLU 26 Ca -0.31 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1p9j h GLU 26 Cb 1.14 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1p9j h GLU 26 CO 0.43 0.46 -0.03 0.00 -1.00 0.00 0.00 179.01 178.87 1p9j h ALA 27 N 1.55 -0.09 0.00 3.43 0.00 -1.91 -2.85 119.26 119.38 1p9j h ALA 27 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1p9j h ALA 27 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1p9j h ALA 27 CO 0.04 -0.45 -0.75 -0.07 0.00 0.00 0.00 179.25 178.01 1p9j h LEU 28 N -0.29 0.00 -1.79 0.00 3.38 -1.79 -3.41 115.31 111.41 1p9j h LEU 28 Ca -0.01 -0.07 -0.24 0.00 0.09 0.00 0.00 57.88 57.66 1p9j h LEU 28 Cb 0.25 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.13 1p9j h LEU 28 CO 0.02 0.03 -0.57 -0.67 0.09 0.00 0.00 178.44 177.34 1p9j n ASP 29 N -2.55 -2.23 -4.24 -0.43 -0.08 -0.73 -5.03 116.55 101.26 1p9j n ASP 29 Ca 0.02 -0.46 -0.29 0.00 -1.51 0.00 0.00 54.79 52.55 1p9j n ASP 29 Cb 0.51 -3.88 -0.16 0.00 2.34 0.00 0.00 41.12 39.93 1p9j n ASP 29 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1p9j s LYS 30 N -4.94 1.99 0.12 -0.67 -0.14 -1.18 -5.01 119.74 109.92 1p9j s LYS 30 Ca 0.02 -0.80 -0.03 0.00 -1.36 0.00 0.00 55.97 53.79 1p9j s LYS 30 Cb -0.00 -1.83 -0.05 0.00 -1.68 0.00 0.00 37.83 34.26 1p9j s LYS 30 CO 0.53 0.43 0.33 0.71 -0.76 0.00 0.00 175.35 176.59 1p9j s TYR 31 N -0.37 3.49 0.13 3.18 1.51 -1.26 -3.22 117.35 120.80 1p9j s TYR 31 Ca 0.04 0.46 -0.22 0.00 -1.01 0.00 0.00 57.07 56.34 1p9j s TYR 31 Cb -0.10 -1.93 0.06 0.00 -0.11 0.00 0.00 41.96 39.88 1p9j s TYR 31 CO 0.01 0.48 0.56 0.00 -1.11 0.00 0.00 175.55 175.48 1p9j s ALA 32 N -1.63 -1.47 -0.02 3.71 0.00 -0.26 -5.01 121.76 117.08 1p9j s ALA 32 Ca 0.39 0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.87 1p9j s ALA 32 Cb -0.12 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 1p9j s ALA 32 CO 0.26 -0.69 -0.18 0.00 0.00 0.00 0.00 175.76 175.14 1p9j s ASN 34 N -0.27 5.36 0.51 0.00 0.01 0.33 -4.95 114.94 115.94 1p9j s ASN 34 Ca 0.03 -0.07 0.08 0.00 -0.71 0.00 0.00 52.86 52.19 1p9j s ASN 34 Cb -0.09 -1.39 0.04 0.00 0.41 0.00 0.00 41.25 40.23 1p9j s ASN 34 CO 0.00 0.17 0.58 0.00 -1.51 0.00 0.00 177.10 176.35 1p9j s VAL 36 N -2.61 3.04 -0.13 0.00 1.01 -1.26 -4.85 120.40 115.60 1p9j s VAL 36 Ca 0.51 0.34 -0.29 0.00 0.00 0.00 0.00 61.98 62.54 1p9j s VAL 36 Cb -0.05 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1p9j s VAL 36 CO 0.32 -0.44 1.43 -0.69 0.00 0.00 0.00 175.10 175.71 1p9j s VAL 37 N -3.09 3.99 0.00 2.92 1.01 -1.26 -2.42 120.40 121.55 1p9j s VAL 37 Ca 0.61 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.78 1p9j s VAL 37 Cb -0.15 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1p9j s VAL 37 CO 0.55 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1p9j n GLY 38 N 3.86 0.77 3.27 4.51 0.00 -1.26 -5.04 105.19 111.30 1p9j n GLY 38 Ca 0.15 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 2.19 0.37 1.61 1.51 -1.02 -0.53 117.35 119.47 1p9j s TYR 39 Ca 0.00 -0.47 0.03 0.00 -1.01 0.00 0.00 57.07 55.62 1p9j s TYR 39 Cb 0.00 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 1p9j s TYR 39 CO 0.00 -0.08 0.11 0.96 -1.11 0.00 0.00 175.55 175.43 1p9j s ILE 40 N -0.45 0.75 0.00 2.71 -4.36 0.17 -4.75 121.20 115.27 1p9j s ILE 40 Ca 0.06 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 1p9j s ILE 40 Cb -0.10 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.10 1p9j s ILE 40 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 1p9j n GLY 41 N -0.79 1.03 0.20 6.27 0.00 -1.26 -2.30 105.19 108.33 1p9j n GLY 41 Ca -0.04 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.30 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 0.34 -0.62 1.61 4.11 -1.98 -2.35 114.58 115.68 1p9j h GLU 42 Ca 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1p9j h GLU 42 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1p9j h GLU 42 CO 0.00 0.74 0.00 2.89 0.07 0.00 0.00 179.01 182.71 1p9j n ARG 43 N -3.99 3.02 -3.69 1.06 0.00 -1.26 -4.79 116.66 107.01 1p9j n ARG 43 Ca -0.02 -2.09 -0.25 0.00 -0.00 0.00 0.00 57.85 55.49 1p9j n ARG 43 Cb 0.53 -1.73 0.06 0.00 -0.00 0.00 0.00 32.46 31.32 1p9j n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p9j n GLN 45 N -4.72 0.71 -4.19 0.00 7.27 -0.97 -4.49 117.38 110.99 1p9j n GLN 45 Ca -0.05 0.27 -0.32 0.00 0.07 0.00 0.00 57.00 56.96 1p9j n GLN 45 Cb 0.58 -1.73 -0.08 0.00 2.41 0.00 0.00 30.24 31.42 1p9j n GLN 45 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1p9j s TYR 46 N -2.57 3.16 -0.20 3.69 2.02 -0.98 -4.98 117.35 117.50 1p9j s TYR 46 Ca -0.17 0.12 -0.12 0.00 -0.37 0.00 0.00 57.07 56.54 1p9j s TYR 46 Cb 0.07 -1.69 -0.05 0.00 -0.40 0.00 0.00 41.96 39.90 1p9j s TYR 46 CO 0.78 0.50 0.23 0.50 -1.57 0.00 0.00 175.55 176.00 1p9j s ARG 47 N -1.73 4.17 -0.58 -0.62 3.52 -1.26 -0.66 118.95 121.79 1p9j s ARG 47 Ca 0.22 -0.07 -0.21 0.00 -0.13 0.00 0.00 55.73 55.53 1p9j s ARG 47 Cb -0.12 -3.48 0.07 0.00 -1.56 0.00 0.00 34.95 29.86 1p9j s ARG 47 CO 0.13 0.15 0.82 0.34 -0.81 0.00 0.00 175.30 175.93 1p9j s ASP 48 N 0.74 6.22 0.11 -2.12 2.15 0.31 -4.91 116.67 119.16 1p9j s ASP 48 Ca 0.12 -0.92 0.24 0.00 0.43 0.00 0.00 52.55 52.41 1p9j s ASP 48 Cb -0.13 -2.37 0.20 0.00 -0.30 0.00 0.00 42.92 40.32 1p9j s ASP 48 CO 0.03 -1.19 1.18 0.18 -0.17 0.00 0.00 175.17 175.20 1p9j n LEU 49 N 7.00 0.69 -0.34 -1.34 4.77 -1.26 -4.46 117.00 122.06 1p9j n LEU 49 Ca -0.04 0.17 -0.03 0.00 -0.03 0.00 0.00 56.01 56.08 1p9j n LEU 49 Cb 0.45 -0.14 0.09 0.00 -2.33 0.00 0.00 43.42 41.50 1p9j n LEU 49 CO 0.60 -0.05 1.22 0.11 -1.33 0.00 0.00 177.39 177.95 1p9j h LYS 50 N 0.00 1.23 0.00 3.23 6.56 -1.99 -3.00 116.57 122.61 1p9j h LYS 50 Ca 0.00 -0.10 -0.12 0.00 -1.06 0.00 0.00 60.65 59.37 1p9j h LYS 50 Cb 0.79 -0.26 -0.02 0.00 -0.57 0.00 0.00 32.23 32.17 1p9j h LYS 50 CO 0.00 0.85 -0.62 0.11 -2.06 0.00 0.00 179.45 177.74 1p9j h TRP 51 N 1.25 0.00 -0.50 -1.35 5.08 -1.99 -3.33 115.95 115.11 1p9j h TRP 51 Ca 0.33 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.31 1p9j h TRP 51 Cb -0.07 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.06 1p9j h TRP 51 CO 0.00 0.53 0.33 -1.49 -1.28 0.00 0.00 178.44 176.54 1p9j h TRP 52 N 0.00 0.62 -0.89 0.12 4.06 -1.80 -2.92 115.95 115.14 1p9j h TRP 52 Ca -0.02 0.01 -0.49 0.00 2.06 0.00 0.00 58.89 60.45 1p9j h TRP 52 Cb 1.42 -0.21 -0.42 0.00 -1.00 0.00 0.00 29.16 28.95 1p9j h TRP 52 CO 0.00 0.38 -0.88 -1.91 -3.56 0.00 0.00 178.44 172.47 1p9j n GLU 53 N -4.46 3.06 0.00 0.49 2.13 -1.26 -5.20 120.64 115.40 1p9j n GLU 53 Ca 0.05 -4.06 0.00 0.00 0.66 0.00 0.00 57.16 53.80 1p9j n GLU 53 Cb 0.07 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 29.70 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61