#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 4.61 0.34 3.34 1.01 -1.26 -4.58 120.40 123.86 1p9j s VAL 2 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1p9j s VAL 2 Cb 0.00 -4.49 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1p9j s VAL 2 CO 0.00 -1.11 0.10 -0.44 0.00 0.00 0.00 175.10 173.66 1p9j s SER 3 N 3.16 2.21 0.29 3.32 0.01 -1.26 -5.14 113.70 116.29 1p9j s SER 3 Ca 0.20 -1.51 -0.12 0.00 1.31 0.00 0.00 55.95 55.83 1p9j s SER 3 Cb -0.18 0.23 -0.08 0.00 0.21 0.00 0.00 66.02 66.20 1p9j s SER 3 CO 0.12 -0.78 0.66 -1.00 0.41 0.00 0.00 173.24 172.65 1p9j s HIS 4 N -3.38 3.40 0.25 2.43 0.09 -1.26 -4.98 115.29 111.84 1p9j s HIS 4 Ca 0.32 1.05 0.09 0.00 -0.00 0.00 0.00 55.06 56.52 1p9j s HIS 4 Cb 0.06 -2.41 -0.05 0.00 -0.00 0.00 0.00 32.58 30.18 1p9j s HIS 4 CO 0.15 0.15 -0.14 -0.59 -0.00 0.00 0.00 174.74 174.31 1p9j s PHE 5 N -1.96 1.96 0.27 1.40 -0.12 -1.26 -4.72 117.98 113.54 1p9j s PHE 5 Ca 0.51 -0.52 0.05 0.00 -0.05 0.00 0.00 56.93 56.92 1p9j s PHE 5 Cb -0.11 -0.95 -0.06 0.00 -0.63 0.00 0.00 43.02 41.28 1p9j s PHE 5 CO 0.20 0.46 -0.02 -0.80 -0.05 0.00 0.00 175.22 175.01 1p9j s ASN 6 N -3.41 2.35 0.37 1.98 -0.87 -1.24 -5.07 114.94 109.04 1p9j s ASN 6 Ca 0.27 -1.22 -0.18 0.00 -1.57 0.00 0.00 52.86 50.15 1p9j s ASN 6 Cb -0.01 -0.09 -0.10 0.00 -0.02 0.00 0.00 41.25 41.03 1p9j s ASN 6 CO 0.11 -0.44 0.84 -1.81 -2.57 0.00 0.00 177.10 173.22 1p9j s ASP 7 N -3.39 6.89 0.81 -1.22 1.01 -1.26 -3.69 116.67 115.82 1p9j s ASP 7 Ca 0.30 1.49 -0.13 0.00 0.71 0.00 0.00 52.55 54.93 1p9j s ASP 7 Cb 0.05 -2.46 0.09 0.00 1.01 0.00 0.00 42.92 41.61 1p9j s ASP 7 CO 0.11 -0.26 1.19 0.00 0.21 0.00 0.00 175.17 176.42 1p9j s PRO 9 N -4.24 0.17 0.16 0.00 0.04 -1.26 -4.98 135.00 124.89 1p9j s PRO 9 Ca 0.71 0.09 -0.16 0.00 0.04 0.00 0.00 61.00 61.69 1p9j s PRO 9 Cb -0.27 -1.74 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1p9j s PRO 9 CO 0.51 -2.81 1.80 1.25 0.04 0.00 0.00 177.00 177.79 1p9j h LEU 10 N -1.94 0.41 -8.20 -3.56 6.46 -2.03 -3.38 115.31 103.08 1p9j h LEU 10 Ca -0.49 0.00 -0.71 0.00 -0.12 0.00 0.00 57.88 56.56 1p9j h LEU 10 Cb 1.30 -0.09 -0.27 0.00 -0.73 0.00 0.00 40.66 40.88 1p9j h LEU 10 CO 0.49 0.30 -0.49 -0.44 -0.62 0.00 0.00 178.44 177.67 1p9j s SER 11 N -5.53 5.65 -0.14 1.25 0.01 -1.26 -4.88 113.70 108.80 1p9j s SER 11 Ca -0.13 -1.32 0.15 0.00 1.31 0.00 0.00 55.95 55.96 1p9j s SER 11 Cb 0.11 -1.99 0.33 0.00 0.21 0.00 0.00 66.02 64.69 1p9j s SER 11 CO 0.72 -0.48 1.20 1.57 0.41 0.00 0.00 173.24 176.67 1p9j n HIS 12 N 4.94 -0.20 -2.59 2.43 -0.00 -1.26 -5.12 115.22 113.41 1p9j n HIS 12 Ca -0.11 -1.18 -0.41 0.00 -0.00 0.00 0.00 57.72 56.02 1p9j n HIS 12 Cb 0.44 0.41 -0.04 0.00 -0.00 0.00 0.00 29.99 30.80 1p9j n HIS 12 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1p9j s ASP 13 N -1.96 7.36 0.00 0.26 -1.08 -1.26 -4.80 116.67 115.19 1p9j s ASP 13 Ca 0.17 1.99 0.00 0.00 -0.52 0.00 0.00 52.55 54.19 1p9j s ASP 13 Cb 0.29 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 1p9j s ASP 13 CO -0.08 -0.15 0.00 0.61 0.52 0.00 0.00 175.17 176.06 1p9j n GLY 14 N 2.08 -2.28 0.08 2.66 0.00 -1.26 -4.98 105.19 101.50 1p9j n GLY 14 Ca 0.02 0.79 -0.16 0.00 0.00 0.00 0.00 46.02 46.67 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 0.07 -3.34 1.61 3.20 -2.06 -3.44 116.97 113.01 1p9j h TYR 15 Ca 0.00 -0.05 -0.57 0.00 3.14 0.00 0.00 58.73 61.25 1p9j h TYR 15 Cb 0.00 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.20 1p9j h TYR 15 CO 0.00 1.10 -0.01 0.00 -1.64 0.00 0.00 178.16 177.61 1p9j s LEU 17 N 0.66 2.47 -1.05 0.00 0.05 -1.26 -4.61 118.68 114.92 1p9j s LEU 17 Ca 0.32 -0.95 -0.03 0.00 0.05 0.00 0.00 54.13 53.53 1p9j s LEU 17 Cb -0.17 0.12 -0.04 0.00 -2.05 0.00 0.00 46.19 44.06 1p9j s LEU 17 CO 0.15 -0.53 0.90 1.57 -0.55 0.00 0.00 176.35 177.89 1p9j n HIS 18 N 0.24 -2.21 -3.46 3.48 -0.00 -1.26 -4.23 115.22 107.78 1p9j n HIS 18 Ca -0.15 0.85 -0.19 0.00 -0.00 0.00 0.00 57.72 58.22 1p9j n HIS 18 Cb 0.60 -4.44 0.08 0.00 -0.00 0.00 0.00 29.99 26.24 1p9j n HIS 18 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1p9j n ASP 19 N -3.07 -3.86 -4.79 0.26 2.03 -1.26 -4.91 116.55 100.94 1p9j n ASP 19 Ca -0.16 -0.57 -0.38 0.00 0.52 0.00 0.00 54.79 54.20 1p9j n ASP 19 Cb 0.63 -4.95 -0.06 0.00 -0.72 0.00 0.00 41.12 36.03 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 -3.88 2.83 -0.78 0.27 0.00 -1.26 -4.99 107.32 99.51 1p9j s GLY 20 Ca 0.25 0.31 -0.25 0.00 0.00 0.00 0.00 44.72 45.03 1p9j s GLY 20 CO 0.71 0.78 1.25 0.14 0.00 0.00 0.00 173.10 175.98 1p9j s VAL 21 N -1.27 3.88 -0.06 1.40 1.01 -0.93 -4.87 120.40 119.56 1p9j s VAL 21 Ca 0.38 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.20 1p9j s VAL 21 Cb -0.21 -4.90 -0.05 0.00 0.00 0.00 0.00 36.38 31.22 1p9j s VAL 21 CO 0.25 -1.80 0.55 0.00 0.00 0.00 0.00 175.10 174.10 1p9j s MET 23 N 0.19 1.40 -0.03 0.00 -1.94 -0.02 -1.95 119.30 116.94 1p9j s MET 23 Ca 0.29 -1.14 -0.27 0.00 -1.71 0.00 0.00 55.69 52.87 1p9j s MET 23 Cb -0.17 -2.57 -0.03 0.00 2.01 0.00 0.00 34.83 34.07 1p9j s MET 23 CO 0.14 -0.73 0.86 -0.47 -0.01 0.00 0.00 175.02 174.81 1p9j s TYR 24 N 1.37 3.62 -0.36 -0.03 5.04 -1.24 -2.17 117.35 123.57 1p9j s TYR 24 Ca -0.00 1.50 -0.02 0.00 -2.44 0.00 0.00 57.07 56.10 1p9j s TYR 24 Cb -0.19 -2.98 0.08 0.00 0.35 0.00 0.00 41.96 39.22 1p9j s TYR 24 CO -0.10 0.02 0.11 -1.50 -1.34 0.00 0.00 175.55 172.75 1p9j s ILE 25 N 0.96 3.17 0.45 3.14 2.07 -0.75 -3.65 121.20 126.59 1p9j s ILE 25 Ca 0.46 -1.73 0.11 0.00 -1.41 0.00 0.00 60.65 58.07 1p9j s ILE 25 Cb -0.19 -3.02 0.25 0.00 0.13 0.00 0.00 42.46 39.63 1p9j s ILE 25 CO 0.23 -0.42 2.07 -0.08 -1.91 0.00 0.00 174.94 174.84 1p9j h GLU 26 N 8.02 0.26 -0.75 3.50 4.81 -1.84 0.15 114.58 128.74 1p9j h GLU 26 Ca -0.17 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.15 1p9j h GLU 26 Cb 1.05 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.30 1p9j h GLU 26 CO 0.62 0.21 0.36 0.00 -0.73 0.00 0.00 179.01 179.47 1p9j h ALA 27 N 1.84 1.05 0.00 2.92 0.00 -1.90 -2.85 119.26 120.31 1p9j h ALA 27 Ca 0.07 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1p9j h ALA 27 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1p9j h ALA 27 CO -0.01 -0.08 -1.87 1.28 0.00 0.00 0.00 179.25 178.57 1p9j n LEU 28 N -4.88 0.19 -0.05 0.00 4.77 -0.95 -4.57 117.00 111.50 1p9j n LEU 28 Ca 0.13 0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 56.18 1p9j n LEU 28 Cb 0.32 0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1p9j n LEU 28 CO 0.23 0.06 -0.01 -0.67 -1.33 0.00 0.00 177.39 175.68 1p9j n ASP 29 N -2.44 -3.69 -4.86 -1.43 2.03 0.50 -5.01 116.55 101.64 1p9j n ASP 29 Ca -0.08 0.02 -0.24 0.00 0.52 0.00 0.00 54.79 55.01 1p9j n ASP 29 Cb 0.68 -1.25 -0.03 0.00 -0.72 0.00 0.00 41.12 39.80 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 -0.73 2.36 0.04 -0.67 -0.14 -1.23 -4.94 119.74 114.44 1p9j s LYS 30 Ca 0.00 -1.78 -0.00 0.00 -1.36 0.00 0.00 55.97 52.83 1p9j s LYS 30 Cb 0.00 -2.20 -0.03 0.00 -1.68 0.00 0.00 37.83 33.92 1p9j s LYS 30 CO 0.00 -0.35 -0.04 1.52 -0.76 0.00 0.00 175.35 175.72 1p9j s TYR 31 N -2.61 0.48 0.07 3.18 1.13 -1.26 -1.81 117.35 116.53 1p9j s TYR 31 Ca 0.42 -0.83 0.07 0.00 -1.41 0.00 0.00 57.07 55.31 1p9j s TYR 31 Cb -0.01 -0.34 -0.03 0.00 -1.10 0.00 0.00 41.96 40.48 1p9j s TYR 31 CO 0.25 -0.27 -0.18 0.00 -2.51 0.00 0.00 175.55 172.83 1p9j s ALA 32 N -2.88 1.52 -0.34 9.51 0.00 -0.92 -4.97 121.76 123.68 1p9j s ALA 32 Ca -0.01 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 1p9j s ALA 32 Cb 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 23.12 22.98 1p9j s ALA 32 CO -0.06 0.30 0.07 0.00 0.00 0.00 0.00 175.76 176.07 1p9j s ASN 34 N 1.38 7.35 -0.01 0.00 -0.87 -0.01 -4.82 114.94 117.95 1p9j s ASN 34 Ca 0.02 1.65 -0.00 0.00 -1.57 0.00 0.00 52.86 52.96 1p9j s ASN 34 Cb -0.21 -2.50 -0.04 0.00 -0.02 0.00 0.00 41.25 38.48 1p9j s ASN 34 CO -0.03 0.14 0.07 0.00 -2.57 0.00 0.00 177.10 174.71 1p9j s VAL 36 N -1.17 3.87 -0.15 0.00 -7.23 -1.26 -5.02 120.40 109.44 1p9j s VAL 36 Ca 0.22 0.56 -0.29 0.00 -1.81 0.00 0.00 61.98 60.65 1p9j s VAL 36 Cb -0.12 -3.60 -0.01 0.00 0.56 0.00 0.00 36.38 33.22 1p9j s VAL 36 CO 0.13 -0.77 1.06 -0.69 -0.31 0.00 0.00 175.10 174.52 1p9j s VAL 37 N -3.27 4.65 0.00 1.32 1.01 -1.26 -3.45 120.40 119.40 1p9j s VAL 37 Ca 0.57 1.95 0.00 0.00 0.00 0.00 0.00 61.98 64.50 1p9j s VAL 37 Cb -0.11 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1p9j s VAL 37 CO 0.52 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1p9j n GLY 38 N 3.25 0.97 3.02 4.51 0.00 -1.26 -5.07 105.19 110.61 1p9j n GLY 38 Ca 0.11 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 1.59 0.00 1.61 1.51 -1.22 -1.52 117.35 117.32 1p9j s TYR 39 Ca 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.42 1p9j s TYR 39 Cb 0.00 -1.17 0.00 0.00 -0.11 0.00 0.00 41.96 40.68 1p9j s TYR 39 CO 0.00 -0.34 0.00 0.44 -1.11 0.00 0.00 175.55 174.54 1p9j n ILE 40 N 3.98 0.00 0.00 2.71 -5.35 0.13 -4.86 119.36 115.97 1p9j n ILE 40 Ca -0.21 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1p9j n ILE 40 Cb 0.51 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 1p9j n ILE 40 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p9j n GLY 41 N 2.61 -0.63 0.30 3.28 0.00 -1.26 -0.99 105.19 108.50 1p9j n GLY 41 Ca 0.00 -1.65 0.05 0.00 0.00 0.00 0.00 46.02 44.42 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 0.62 -0.31 1.61 9.09 -2.00 -1.92 114.58 121.67 1p9j h GLU 42 Ca 0.00 -0.04 -0.19 0.00 0.05 0.00 0.00 59.36 59.18 1p9j h GLU 42 Cb 0.00 -0.14 -0.13 0.00 -1.65 0.00 0.00 28.75 26.83 1p9j h GLU 42 CO 0.00 0.41 -0.31 2.89 0.05 0.00 0.00 179.01 182.05 1p9j n ARG 43 N -4.85 2.04 -3.40 1.06 0.00 -1.26 -4.98 116.66 105.26 1p9j n ARG 43 Ca 0.15 -3.39 -0.19 0.00 -0.00 0.00 0.00 57.85 54.42 1p9j n ARG 43 Cb 0.37 -1.83 0.07 0.00 -0.00 0.00 0.00 32.46 31.07 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 -4.25 0.62 -3.46 0.00 10.64 -0.77 -4.70 117.38 115.46 1p9j n GLN 45 Ca -0.05 -0.11 -0.36 0.00 -1.83 0.00 0.00 57.00 54.65 1p9j n GLN 45 Cb 0.57 -1.33 -0.06 0.00 -0.86 0.00 0.00 30.24 28.56 1p9j n GLN 45 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1p9j s TYR 46 N -2.89 3.65 -0.13 2.61 2.02 -0.16 -4.93 117.35 117.52 1p9j s TYR 46 Ca -0.05 0.98 -0.09 0.00 -0.37 0.00 0.00 57.07 57.53 1p9j s TYR 46 Cb 0.08 -2.29 -0.05 0.00 -0.40 0.00 0.00 41.96 39.31 1p9j s TYR 46 CO 0.58 0.53 0.19 0.50 -1.57 0.00 0.00 175.55 175.78 1p9j s ARG 47 N -1.65 3.76 -0.18 -0.62 3.52 -1.26 -0.70 118.95 121.82 1p9j s ARG 47 Ca 0.32 -0.05 -0.23 0.00 -0.13 0.00 0.00 55.73 55.63 1p9j s ARG 47 Cb -0.15 -3.27 -0.02 0.00 -1.56 0.00 0.00 34.95 29.95 1p9j s ARG 47 CO 0.17 0.60 0.75 -0.51 -0.81 0.00 0.00 175.30 175.51 1p9j s ASP 48 N -0.57 6.85 -0.10 -2.12 1.01 -0.57 -4.92 116.67 116.25 1p9j s ASP 48 Ca 0.15 1.03 0.04 0.00 0.71 0.00 0.00 52.55 54.48 1p9j s ASP 48 Cb -0.13 -2.41 -0.24 0.00 1.01 0.00 0.00 42.92 41.15 1p9j s ASP 48 CO 0.04 -0.35 0.45 -0.11 0.21 0.00 0.00 175.17 175.41 1p9j n LEU 49 N 5.15 1.74 0.20 1.23 7.94 -1.26 -4.66 117.00 127.34 1p9j n LEU 49 Ca 0.02 0.27 0.05 0.00 -1.11 0.00 0.00 56.01 55.24 1p9j n LEU 49 Cb 0.49 -0.46 0.44 0.00 0.53 0.00 0.00 43.42 44.43 1p9j n LEU 49 CO 0.46 0.64 0.77 0.11 -1.11 0.00 0.00 177.39 178.27 1p9j h LYS 50 N 0.03 0.00 0.00 1.96 1.79 -1.93 -3.15 116.57 115.27 1p9j h LYS 50 Ca -0.38 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 57.96 1p9j h LYS 50 Cb 2.03 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.66 1p9j h LYS 50 CO 0.07 0.31 -0.61 0.11 -1.08 0.00 0.00 179.45 178.26 1p9j h TRP 51 N 0.00 0.00 0.74 -1.35 5.08 -2.01 -3.35 115.95 115.06 1p9j h TRP 51 Ca -0.00 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.93 1p9j h TRP 51 Cb 0.63 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.80 1p9j h TRP 51 CO 0.00 0.61 -0.36 -1.49 -1.28 0.00 0.00 178.44 175.92 1p9j h TRP 52 N 0.00 -0.92 -2.90 0.12 4.06 -1.87 -3.36 115.95 111.08 1p9j h TRP 52 Ca -0.01 -0.02 -0.73 0.00 2.06 0.00 0.00 58.89 60.19 1p9j h TRP 52 Cb 1.40 0.31 -0.33 0.00 -1.00 0.00 0.00 29.16 29.54 1p9j h TRP 52 CO 0.00 -0.58 0.22 -1.91 -3.56 0.00 0.00 178.44 172.61 1p9j n GLU 53 N -5.15 3.49 0.00 0.49 4.07 -1.26 -5.22 120.64 117.07 1p9j n GLU 53 Ca -0.12 -4.56 0.00 0.00 -0.06 0.00 0.00 57.16 52.42 1p9j n GLU 53 Cb 0.39 -2.43 0.00 0.00 -0.06 0.00 0.00 31.44 29.34 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96