#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 4.93 0.12 2.52 1.01 -1.26 -4.54 120.40 123.18 1p9j s VAL 2 Ca 0.00 1.32 0.04 0.00 0.00 0.00 0.00 61.98 63.34 1p9j s VAL 2 Cb 0.00 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1p9j s VAL 2 CO 0.00 0.00 0.12 -0.94 0.00 0.00 0.00 175.10 174.28 1p9j s SER 3 N 1.37 5.59 0.27 3.32 1.04 -1.26 -4.74 113.70 119.30 1p9j s SER 3 Ca 0.30 -0.05 0.10 0.00 0.48 0.00 0.00 55.95 56.79 1p9j s SER 3 Cb -0.16 -1.50 -0.04 0.00 0.10 0.00 0.00 66.02 64.42 1p9j s SER 3 CO 0.09 0.12 -0.04 -1.00 0.98 0.00 0.00 173.24 173.38 1p9j s HIS 4 N -1.58 2.61 -0.37 5.02 3.76 -1.26 -5.11 115.29 118.36 1p9j s HIS 4 Ca 0.30 -0.25 -0.18 0.00 -0.15 0.00 0.00 55.06 54.79 1p9j s HIS 4 Cb -0.11 -1.16 0.00 0.00 1.11 0.00 0.00 32.58 32.42 1p9j s HIS 4 CO 0.23 0.64 0.49 0.12 -0.85 0.00 0.00 174.74 175.37 1p9j s PHE 5 N -2.37 3.17 0.40 1.40 2.19 -1.26 -5.01 117.98 116.50 1p9j s PHE 5 Ca 0.31 0.01 0.04 0.00 0.33 0.00 0.00 56.93 57.62 1p9j s PHE 5 Cb -0.06 -2.94 -0.05 0.00 -1.31 0.00 0.00 43.02 38.66 1p9j s PHE 5 CO 0.19 -0.60 0.05 -0.80 1.83 0.00 0.00 175.22 175.89 1p9j s ASN 6 N 1.80 3.20 0.65 6.13 0.01 -1.26 -5.15 114.94 120.31 1p9j s ASN 6 Ca 0.17 -1.49 -0.09 0.00 -0.71 0.00 0.00 52.86 50.74 1p9j s ASN 6 Cb -0.16 0.07 0.01 0.00 0.41 0.00 0.00 41.25 41.59 1p9j s ASN 6 CO 0.14 -0.68 0.99 -1.81 -1.51 0.00 0.00 177.10 174.23 1p9j s ASP 7 N -3.65 5.51 0.79 -1.22 1.01 -1.26 -4.97 116.67 112.88 1p9j s ASP 7 Ca 0.27 0.90 -0.11 0.00 0.71 0.00 0.00 52.55 54.33 1p9j s ASP 7 Cb 0.06 -1.80 0.07 0.00 1.01 0.00 0.00 42.92 42.26 1p9j s ASP 7 CO 0.13 -1.20 1.09 0.00 0.21 0.00 0.00 175.17 175.40 1p9j s PRO 9 N -5.02 2.71 0.54 0.00 0.02 -1.26 -4.92 135.00 127.08 1p9j s PRO 9 Ca 0.61 1.65 0.33 0.00 0.02 0.00 0.00 61.00 63.61 1p9j s PRO 9 Cb -0.16 -1.92 1.35 0.00 0.02 0.00 0.00 34.50 33.80 1p9j s PRO 9 CO 0.55 -1.37 1.98 1.25 -0.33 0.00 0.00 177.00 179.09 1p9j h LEU 10 N 0.31 0.00-10.26 -5.54 5.85 -2.07 -3.45 115.31 100.15 1p9j h LEU 10 Ca -0.48 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 57.77 1p9j h LEU 10 Cb 1.28 0.00 0.18 0.00 0.37 0.00 0.00 40.66 42.49 1p9j h LEU 10 CO 0.53 0.02 0.14 -0.55 -0.34 0.00 0.00 178.44 178.25 1p9j s SER 11 N -5.73 2.27 0.17 1.25 0.15 -1.26 -4.94 113.70 105.61 1p9j s SER 11 Ca 0.01 1.56 -0.30 0.00 0.70 0.00 0.00 55.95 57.92 1p9j s SER 11 Cb 0.09 -2.23 -0.08 0.00 -1.71 0.00 0.00 66.02 62.08 1p9j s SER 11 CO 0.55 -3.41 1.32 -1.00 1.20 0.00 0.00 173.24 171.90 1p9j s HIS 12 N -2.71 3.27 0.63 3.44 3.76 -1.26 -5.01 115.29 117.41 1p9j s HIS 12 Ca 0.66 1.18 -0.11 0.00 -0.15 0.00 0.00 55.06 56.64 1p9j s HIS 12 Cb -0.22 -3.60 -0.03 0.00 1.11 0.00 0.00 32.58 29.84 1p9j s HIS 12 CO 0.60 -1.93 1.04 -0.51 -0.85 0.00 0.00 174.74 173.10 1p9j s ASP 13 N 0.53 6.11 0.00 1.40 1.01 -1.26 -4.92 116.67 119.54 1p9j s ASP 13 Ca 0.58 1.38 0.00 0.00 0.71 0.00 0.00 52.55 55.22 1p9j s ASP 13 Cb -0.36 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.18 1p9j s ASP 13 CO 0.36 -0.94 0.00 0.61 0.21 0.00 0.00 175.17 175.41 1p9j n GLY 14 N -2.79 0.13 0.12 0.21 0.00 -1.26 -4.96 105.19 96.64 1p9j n GLY 14 Ca 0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1p9j n GLY 14 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1p9j h TYR 15 N 0.00 0.29 -3.26 1.61 -0.00 -1.92 -3.44 116.97 110.25 1p9j h TYR 15 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.73 58.49 1p9j h TYR 15 Cb 0.00 -0.10 -0.32 0.00 -0.00 0.00 0.00 36.73 36.32 1p9j h TYR 15 CO 0.00 0.21 -0.60 0.00 -0.00 0.00 0.00 178.16 177.77 1p9j s LEU 17 N 1.16 3.23 -1.19 0.00 2.01 -0.92 -4.86 118.68 118.10 1p9j s LEU 17 Ca -0.09 -0.89 -0.18 0.00 0.01 0.00 0.00 54.13 52.98 1p9j s LEU 17 Cb -0.11 -1.68 -0.00 0.00 0.01 0.00 0.00 46.19 44.40 1p9j s LEU 17 CO -0.06 -0.47 0.72 1.57 1.01 0.00 0.00 176.35 179.12 1p9j n HIS 18 N -1.27 -1.82 -2.93 0.29 -0.00 -1.26 -2.80 115.22 105.43 1p9j n HIS 18 Ca -0.01 0.48 -0.10 0.00 0.46 0.00 0.00 57.72 58.55 1p9j n HIS 18 Cb 0.63 -3.46 0.03 0.00 -0.12 0.00 0.00 29.99 27.07 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 -2.69 -3.72 -4.86 0.26 2.03 -1.26 -5.05 116.55 101.26 1p9j n ASP 19 Ca -0.14 -0.22 -0.32 0.00 0.52 0.00 0.00 54.79 54.64 1p9j n ASP 19 Cb 0.61 -2.31 -0.06 0.00 -0.72 0.00 0.00 41.12 38.64 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 -3.14 2.31 -1.01 0.27 0.00 -1.12 -5.00 107.32 99.63 1p9j s GLY 20 Ca 0.23 -0.09 -0.20 0.00 0.00 0.00 0.00 44.72 44.66 1p9j s GLY 20 CO 0.29 0.09 1.34 0.14 0.00 0.00 0.00 173.10 174.96 1p9j s VAL 21 N -1.91 4.31 0.03 1.40 1.01 0.12 -4.91 120.40 120.46 1p9j s VAL 21 Ca 0.51 -1.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1p9j s VAL 21 Cb -0.11 -4.95 -0.06 0.00 0.00 0.00 0.00 36.38 31.26 1p9j s VAL 21 CO 0.19 -1.76 0.54 0.00 0.00 0.00 0.00 175.10 174.07 1p9j s MET 23 N -0.83 0.32 -0.20 0.00 0.23 -0.04 -4.67 119.30 114.10 1p9j s MET 23 Ca 0.28 -0.25 -0.10 0.00 -1.03 0.00 0.00 55.69 54.59 1p9j s MET 23 Cb -0.18 -0.74 -0.05 0.00 -1.53 0.00 0.00 34.83 32.32 1p9j s MET 23 CO 0.17 -1.04 0.12 -0.47 -2.03 0.00 0.00 175.02 171.77 1p9j s TYR 24 N 2.26 3.36 -0.06 3.16 5.04 -1.26 -1.68 117.35 128.18 1p9j s TYR 24 Ca 0.10 0.26 0.02 0.00 -2.44 0.00 0.00 57.07 55.01 1p9j s TYR 24 Cb -0.14 -2.17 0.02 0.00 0.35 0.00 0.00 41.96 40.01 1p9j s TYR 24 CO -0.32 0.22 -0.09 0.96 -1.34 0.00 0.00 175.55 174.98 1p9j s ILE 25 N 0.50 0.90 0.32 3.14 -5.25 -1.15 -4.95 121.20 114.71 1p9j s ILE 25 Ca 0.07 -0.34 0.03 0.00 -0.99 0.00 0.00 60.65 59.42 1p9j s ILE 25 Cb -0.12 -0.85 0.15 0.00 2.95 0.00 0.00 42.46 44.59 1p9j s ILE 25 CO -0.00 0.30 1.85 -0.08 -1.79 0.00 0.00 174.94 175.22 1p9j h GLU 26 N 7.03 0.56 -0.26 0.37 4.22 -1.94 -1.72 114.58 122.84 1p9j h GLU 26 Ca -0.34 -0.13 0.05 0.00 0.08 0.00 0.00 59.36 59.02 1p9j h GLU 26 Cb 1.17 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 1p9j h GLU 26 CO 0.48 0.60 -0.05 0.00 -2.18 0.00 0.00 179.01 177.86 1p9j h ALA 27 N 1.46 0.19 0.00 2.92 0.00 -1.89 -2.85 119.26 119.08 1p9j h ALA 27 Ca 0.11 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1p9j h ALA 27 Cb 0.37 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1p9j h ALA 27 CO 0.01 -0.45 -1.19 -0.07 0.00 0.00 0.00 179.25 177.55 1p9j h LEU 28 N 0.02 0.00 0.00 0.00 3.38 -1.79 -3.41 115.31 113.52 1p9j h LEU 28 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1p9j h LEU 28 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1p9j h LEU 28 CO -0.26 0.37 0.00 -0.67 0.09 0.00 0.00 178.44 177.98 1p9j n ASP 29 N -2.85 -2.33 -4.45 -0.43 2.03 -0.65 -5.04 116.55 102.84 1p9j n ASP 29 Ca -0.06 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.03 1p9j n ASP 29 Cb 0.73 -0.39 -0.10 0.00 -0.72 0.00 0.00 41.12 40.64 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 -0.25 1.61 0.21 -0.67 -0.14 -1.24 -4.98 119.74 114.28 1p9j s LYS 30 Ca 0.00 -1.74 0.08 0.00 -1.36 0.00 0.00 55.97 52.95 1p9j s LYS 30 Cb 0.00 -1.62 -0.05 0.00 -1.68 0.00 0.00 37.83 34.49 1p9j s LYS 30 CO 0.00 0.28 -0.15 1.52 -0.76 0.00 0.00 175.35 176.24 1p9j s TYR 31 N -2.62 1.78 0.05 3.18 1.13 -1.26 -2.94 117.35 116.66 1p9j s TYR 31 Ca 0.29 -0.54 -0.09 0.00 -1.41 0.00 0.00 57.07 55.32 1p9j s TYR 31 Cb -0.03 -0.82 -0.00 0.00 -1.10 0.00 0.00 41.96 40.00 1p9j s TYR 31 CO 0.13 0.40 0.17 0.00 -2.51 0.00 0.00 175.55 173.74 1p9j s ALA 32 N -2.86 -0.28 -0.07 9.51 0.00 -0.68 -4.98 121.76 122.41 1p9j s ALA 32 Ca 0.23 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 51.82 1p9j s ALA 32 Cb -0.02 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.42 1p9j s ALA 32 CO 0.08 -0.38 -0.14 0.00 0.00 0.00 0.00 175.76 175.32 1p9j s ASN 34 N 0.62 4.61 0.37 0.00 0.02 0.15 -4.93 114.94 115.79 1p9j s ASN 34 Ca -0.15 -0.03 0.08 0.00 -1.02 0.00 0.00 52.86 51.74 1p9j s ASN 34 Cb -0.16 -1.17 -0.07 0.00 0.02 0.00 0.00 41.25 39.87 1p9j s ASN 34 CO 0.04 0.36 -0.04 0.00 0.02 0.00 0.00 177.10 177.48 1p9j s VAL 36 N -2.64 2.08 -0.06 0.00 -7.23 -1.26 -5.00 120.40 106.29 1p9j s VAL 36 Ca 0.34 -0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 60.11 1p9j s VAL 36 Cb 0.05 -2.98 -0.05 0.00 0.56 0.00 0.00 36.38 33.96 1p9j s VAL 36 CO 0.18 0.00 1.66 -0.69 -0.31 0.00 0.00 175.10 175.93 1p9j s VAL 37 N -3.53 3.58 0.00 1.32 1.01 -1.26 -3.08 120.40 118.44 1p9j s VAL 37 Ca 0.64 0.70 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1p9j s VAL 37 Cb -0.09 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1p9j s VAL 37 CO 0.48 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1p9j n GLY 38 N 4.17 0.58 3.08 4.51 0.00 -1.26 -4.96 105.19 111.31 1p9j n GLY 38 Ca 0.17 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.34 3.03 0.37 1.61 2.02 -1.18 -0.73 117.35 120.12 1p9j s TYR 39 Ca 0.00 -2.03 0.08 0.00 -0.37 0.00 0.00 57.07 54.76 1p9j s TYR 39 Cb 0.00 -1.90 -0.07 0.00 -0.40 0.00 0.00 41.96 39.59 1p9j s TYR 39 CO 0.00 -0.84 -0.01 0.96 -1.57 0.00 0.00 175.55 174.09 1p9j s ILE 40 N 1.19 2.28 0.00 2.71 -4.36 0.66 -4.79 121.20 118.90 1p9j s ILE 40 Ca -0.03 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.32 1p9j s ILE 40 Cb -0.17 -2.82 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1p9j s ILE 40 CO -0.08 -0.12 0.00 0.61 0.24 0.00 0.00 174.94 175.59 1p9j n GLY 41 N -0.93 2.43 0.17 6.27 0.00 -1.26 -1.06 105.19 110.80 1p9j n GLY 41 Ca -0.04 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 1p9j n GLY 41 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1p9j h GLU 42 N 0.00 0.51 -0.32 1.61 4.57 -1.98 -2.24 114.58 116.73 1p9j h GLU 42 Ca 0.00 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1p9j h GLU 42 Cb 0.00 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1p9j h GLU 42 CO 0.00 0.49 0.00 2.89 -1.18 0.00 0.00 179.01 181.21 1p9j n ARG 43 N -4.71 1.89 -3.26 1.92 1.85 -1.26 -4.94 116.66 108.16 1p9j n ARG 43 Ca -0.01 -1.37 -0.08 0.00 -1.00 0.00 0.00 57.85 55.39 1p9j n ARG 43 Cb 0.13 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.19 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 -1.92 0.22 -3.04 0.00 7.27 -0.23 -4.30 117.38 115.39 1p9j n GLN 45 Ca -0.08 0.10 -0.22 0.00 0.07 0.00 0.00 57.00 56.86 1p9j n GLN 45 Cb 0.55 -0.88 0.01 0.00 2.41 0.00 0.00 30.24 32.33 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 -2.19 3.16 0.10 3.69 2.02 -0.77 -4.83 117.35 118.53 1p9j s TYR 46 Ca -0.15 0.12 0.04 0.00 -0.37 0.00 0.00 57.07 56.71 1p9j s TYR 46 Cb 0.06 -2.30 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 1p9j s TYR 46 CO 0.19 -0.35 0.08 -0.98 -1.57 0.00 0.00 175.55 172.92 1p9j s ARG 47 N -4.51 2.85 -0.82 -0.62 1.70 -1.26 -0.24 118.95 116.05 1p9j s ARG 47 Ca 0.49 -0.75 -0.17 0.00 -0.47 0.00 0.00 55.73 54.83 1p9j s ARG 47 Cb -0.10 -2.69 0.17 0.00 -0.57 0.00 0.00 34.95 31.76 1p9j s ARG 47 CO 0.37 0.54 0.88 0.34 -1.08 0.00 0.00 175.30 176.35 1p9j s ASP 48 N -2.54 6.60 -0.04 -2.89 2.15 0.09 -4.89 116.67 115.15 1p9j s ASP 48 Ca 0.29 -2.23 0.02 0.00 0.43 0.00 0.00 52.55 51.07 1p9j s ASP 48 Cb -0.12 -2.29 0.13 0.00 -0.30 0.00 0.00 42.92 40.34 1p9j s ASP 48 CO 0.22 -0.84 0.71 0.00 -0.17 0.00 0.00 175.17 175.09 1p9j n LEU 49 N 5.31 1.81 0.11 -1.34 -0.00 -1.26 -4.40 117.00 117.22 1p9j n LEU 49 Ca 0.13 -0.91 -0.13 0.00 -0.00 0.00 0.00 56.01 55.09 1p9j n LEU 49 Cb 0.47 -0.53 -0.08 0.00 -0.00 0.00 0.00 43.42 43.28 1p9j n LEU 49 CO 0.44 0.32 0.78 0.11 -0.00 0.00 0.00 177.39 179.04 1p9j h LYS 50 N 0.64 -0.20 0.00 1.47 6.56 -1.92 -2.55 116.57 120.58 1p9j h LYS 50 Ca 0.00 0.01 -0.13 0.00 -1.06 0.00 0.00 60.65 59.47 1p9j h LYS 50 Cb 0.75 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.44 1p9j h LYS 50 CO 0.08 -0.07 -0.94 0.11 -2.06 0.00 0.00 179.45 176.57 1p9j h TRP 51 N -0.28 0.00 0.57 -1.35 0.09 -2.02 -3.38 115.95 109.58 1p9j h TRP 51 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 58.94 1p9j h TRP 51 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.45 1p9j h TRP 51 CO -0.04 0.54 -0.37 -1.49 0.09 0.00 0.00 178.44 177.17 1p9j h TRP 52 N 0.00 -0.97 -2.42 0.12 4.06 -1.82 -3.25 115.95 111.67 1p9j h TRP 52 Ca -0.08 -0.01 -0.80 0.00 2.06 0.00 0.00 58.89 60.06 1p9j h TRP 52 Cb 1.48 0.35 -0.26 0.00 -1.00 0.00 0.00 29.16 29.73 1p9j h TRP 52 CO 0.00 -0.55 1.08 0.39 -3.56 0.00 0.00 178.44 175.80 1p9j n GLU 53 N -5.50 4.85 0.00 0.49 -0.58 -0.97 -5.14 120.64 113.79 1p9j n GLU 53 Ca -0.12 -4.47 0.00 0.00 -0.42 0.00 0.00 57.16 52.15 1p9j n GLU 53 Cb 0.39 -2.53 0.00 0.00 -0.57 0.00 0.00 31.44 28.73 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54