#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 0.67 -0.42 2.52 1.01 -1.26 -5.02 120.40 117.90 1p9j s VAL 2 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1p9j s VAL 2 Cb 0.00 -0.56 0.11 0.00 0.00 0.00 0.00 36.38 35.93 1p9j s VAL 2 CO 0.00 0.19 0.16 -0.55 0.00 0.00 0.00 175.10 174.90 1p9j s SER 3 N -0.19 4.71 -0.04 3.32 0.15 -1.26 -4.92 113.70 115.46 1p9j s SER 3 Ca 0.03 -2.46 0.04 0.00 0.70 0.00 0.00 55.95 54.26 1p9j s SER 3 Cb -0.03 -1.67 -0.00 0.00 -1.71 0.00 0.00 66.02 62.61 1p9j s SER 3 CO -0.00 -0.35 -0.16 -1.00 1.20 0.00 0.00 173.24 172.93 1p9j s HIS 4 N 0.49 1.60 -0.26 3.44 0.09 -1.26 -5.12 115.29 114.27 1p9j s HIS 4 Ca 0.13 -0.47 -0.17 0.00 -0.00 0.00 0.00 55.06 54.56 1p9j s HIS 4 Cb -0.22 -1.09 -0.03 0.00 -0.00 0.00 0.00 32.58 31.24 1p9j s HIS 4 CO -0.05 -0.17 0.46 -0.06 -0.00 0.00 0.00 174.74 174.92 1p9j s PHE 5 N 0.11 3.27 0.52 1.40 0.08 -1.26 -4.93 117.98 117.17 1p9j s PHE 5 Ca -0.05 0.55 0.02 0.00 0.12 0.00 0.00 56.93 57.58 1p9j s PHE 5 Cb -0.11 -2.65 0.02 0.00 -0.57 0.00 0.00 43.02 39.70 1p9j s PHE 5 CO 0.02 -0.25 0.19 0.09 -0.10 0.00 0.00 175.22 175.17 1p9j n ASN 6 N 5.40 3.10 -4.91 1.36 5.03 -1.26 -5.16 115.26 118.82 1p9j n ASN 6 Ca -0.06 -3.06 -0.21 0.00 0.87 0.00 0.00 54.58 52.12 1p9j n ASN 6 Cb 0.50 0.17 0.05 0.00 -1.02 0.00 0.00 39.78 39.49 1p9j n ASN 6 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 1p9j s ASP 7 N -3.98 5.07 -0.42 6.41 -4.77 -1.26 -4.82 116.67 112.90 1p9j s ASP 7 Ca 0.14 -0.25 0.08 0.00 -3.30 0.00 0.00 52.55 49.23 1p9j s ASP 7 Cb -0.01 -0.50 0.42 0.00 -1.09 0.00 0.00 42.92 41.74 1p9j s ASP 7 CO 0.09 -1.30 1.05 0.00 0.70 0.00 0.00 175.17 175.72 1p9j h PRO 9 N 2.71 0.09 -0.08 0.00 0.13 -2.01 -3.37 132.00 129.46 1p9j h PRO 9 Ca 0.19 -0.12 -0.06 0.00 -0.87 0.00 0.00 66.00 65.15 1p9j h PRO 9 Cb 0.95 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1p9j h PRO 9 CO 0.76 0.96 -0.19 -0.07 -0.23 0.00 0.00 178.00 179.23 1p9j h LEU 10 N -0.74 0.31 -8.34 1.56 3.38 -2.07 -3.42 115.31 105.99 1p9j h LEU 10 Ca -0.03 -0.58 -0.59 0.00 0.09 0.00 0.00 57.88 56.77 1p9j h LEU 10 Cb 1.04 -0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 1p9j h LEU 10 CO 0.03 0.83 0.78 -0.55 0.09 0.00 0.00 178.44 179.63 1p9j s SER 11 N -6.18 6.21 -0.36 -0.43 0.15 -1.26 -5.00 113.70 106.83 1p9j s SER 11 Ca -0.15 -0.63 -0.19 0.00 0.70 0.00 0.00 55.95 55.69 1p9j s SER 11 Cb 0.03 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1p9j s SER 11 CO 0.75 -1.58 0.56 -1.00 1.20 0.00 0.00 173.24 173.17 1p9j s HIS 12 N 4.78 3.16 0.62 3.44 3.76 -1.26 -4.92 115.29 124.87 1p9j s HIS 12 Ca 0.30 0.21 -0.10 0.00 -0.15 0.00 0.00 55.06 55.32 1p9j s HIS 12 Cb -0.12 -3.02 -0.02 0.00 1.11 0.00 0.00 32.58 30.53 1p9j s HIS 12 CO 0.14 -0.59 1.00 0.16 -0.85 0.00 0.00 174.74 174.60 1p9j s ASP 13 N 1.78 5.94 0.00 1.40 -4.77 -1.26 -5.00 116.67 114.77 1p9j s ASP 13 Ca 0.21 1.18 0.12 0.00 -3.30 0.00 0.00 52.55 50.75 1p9j s ASP 13 Cb -0.15 -2.19 -0.01 0.00 -1.09 0.00 0.00 42.92 39.48 1p9j s ASP 13 CO 0.14 -0.98 0.68 0.61 0.70 0.00 0.00 175.17 176.32 1p9j n GLY 14 N -2.73 -0.12 0.10 2.12 0.00 -1.26 -4.79 105.19 98.51 1p9j n GLY 14 Ca 0.05 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 1p9j n GLY 14 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1p9j n TYR 15 N -0.28 0.92 -3.47 1.61 9.36 -1.26 -4.95 117.16 119.09 1p9j n TYR 15 Ca 0.05 0.40 -0.38 0.00 3.32 0.00 0.00 57.90 61.28 1p9j n TYR 15 Cb 0.24 -0.99 -0.06 0.00 -0.63 0.00 0.00 39.34 37.90 1p9j n TYR 15 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1p9j s LEU 17 N -0.60 4.09 -1.01 0.00 2.01 -1.25 -4.36 118.68 117.56 1p9j s LEU 17 Ca 0.24 0.07 -0.09 0.00 0.01 0.00 0.00 54.13 54.35 1p9j s LEU 17 Cb -0.16 -2.69 -0.04 0.00 0.01 0.00 0.00 46.19 43.31 1p9j s LEU 17 CO 0.12 0.10 0.83 1.41 1.01 0.00 0.00 176.35 179.82 1p9j n HIS 18 N -0.16 -2.37 -2.86 0.29 8.25 -1.26 -4.46 115.22 112.65 1p9j n HIS 18 Ca -0.07 0.78 -0.08 0.00 -0.26 0.00 0.00 57.72 58.08 1p9j n HIS 18 Cb 0.53 -3.85 0.01 0.00 1.12 0.00 0.00 29.99 27.80 1p9j n HIS 18 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1p9j n ASP 19 N -2.78 -7.93 -4.66 0.41 8.00 -1.26 -4.84 116.55 103.49 1p9j n ASP 19 Ca -0.08 0.52 -0.43 0.00 0.71 0.00 0.00 54.79 55.51 1p9j n ASP 19 Cb 0.59 -5.36 -0.02 0.00 -0.02 0.00 0.00 41.12 36.31 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 -2.61 1.58 -0.42 0.44 0.00 -1.26 -4.87 107.32 100.18 1p9j s GLY 20 Ca 0.25 0.71 -0.29 0.00 0.00 0.00 0.00 44.72 45.39 1p9j s GLY 20 CO 0.77 2.80 1.21 0.14 0.00 0.00 0.00 173.10 178.01 1p9j s VAL 21 N 3.81 4.17 0.09 1.40 1.01 -0.73 -4.91 120.40 125.25 1p9j s VAL 21 Ca 0.65 1.23 -0.29 0.00 0.00 0.00 0.00 61.98 63.57 1p9j s VAL 21 Cb -0.28 -4.45 -0.06 0.00 0.00 0.00 0.00 36.38 31.60 1p9j s VAL 21 CO 0.23 -0.83 0.93 0.00 0.00 0.00 0.00 175.10 175.42 1p9j s MET 23 N 0.03 1.59 -0.22 0.00 0.23 -0.82 -4.63 119.30 115.49 1p9j s MET 23 Ca 0.46 -1.50 -0.01 0.00 -1.03 0.00 0.00 55.69 53.61 1p9j s MET 23 Cb -0.23 -2.88 0.06 0.00 -1.53 0.00 0.00 34.83 30.26 1p9j s MET 23 CO 0.28 -0.80 -0.01 -0.47 -2.03 0.00 0.00 175.02 171.99 1p9j s TYR 24 N 1.12 1.77 -0.29 3.16 5.04 -1.26 -0.86 117.35 126.03 1p9j s TYR 24 Ca 0.03 -1.35 -0.05 0.00 -2.44 0.00 0.00 57.07 53.26 1p9j s TYR 24 Cb -0.19 -1.33 0.02 0.00 0.35 0.00 0.00 41.96 40.81 1p9j s TYR 24 CO -0.09 -0.70 0.04 0.42 -1.34 0.00 0.00 175.55 173.88 1p9j s ILE 25 N 1.61 3.59 0.44 3.14 1.09 -1.21 -4.99 121.20 124.86 1p9j s ILE 25 Ca -0.04 -0.88 0.13 0.00 -1.10 0.00 0.00 60.65 58.77 1p9j s ILE 25 Cb -0.18 -2.88 0.19 0.00 -1.06 0.00 0.00 42.46 38.53 1p9j s ILE 25 CO -0.07 0.07 2.00 -0.33 -0.10 0.00 0.00 174.94 176.51 1p9j h GLU 26 N 8.16 0.08 -0.87 2.79 5.08 -1.95 0.87 114.58 128.74 1p9j h GLU 26 Ca -0.30 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.14 1p9j h GLU 26 Cb 1.11 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 1p9j h GLU 26 CO 0.59 0.21 0.56 0.00 -1.00 0.00 0.00 179.01 179.38 1p9j h ALA 27 N 1.80 1.66 0.09 3.43 0.00 -1.95 -3.07 119.26 121.22 1p9j h ALA 27 Ca 0.02 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.57 1p9j h ALA 27 Cb 0.28 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1p9j h ALA 27 CO 0.02 0.17 -1.95 1.28 0.00 0.00 0.00 179.25 178.77 1p9j n LEU 28 N -4.52 2.54 -0.10 0.00 4.77 -0.83 -4.76 117.00 114.11 1p9j n LEU 28 Ca 0.15 0.21 -0.01 0.00 -0.03 0.00 0.00 56.01 56.33 1p9j n LEU 28 Cb 0.31 -1.07 -0.00 0.00 -2.33 0.00 0.00 43.42 40.32 1p9j n LEU 28 CO 0.31 0.77 -0.01 -0.67 -1.33 0.00 0.00 177.39 176.46 1p9j n ASP 29 N -3.62 -2.17 -4.73 -1.43 2.03 0.24 -5.06 116.55 101.80 1p9j n ASP 29 Ca -0.34 0.01 -0.31 0.00 0.52 0.00 0.00 54.79 54.67 1p9j n ASP 29 Cb 0.98 -0.71 -0.08 0.00 -0.72 0.00 0.00 41.12 40.60 1p9j n ASP 29 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1p9j s LYS 30 N -3.07 2.77 0.03 -0.67 0.00 -1.25 -4.99 119.74 112.56 1p9j s LYS 30 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 55.97 55.31 1p9j s LYS 30 Cb 0.00 -2.67 -0.03 0.00 0.00 0.00 0.00 37.83 35.13 1p9j s LYS 30 CO 0.00 0.58 -0.08 0.71 0.00 0.00 0.00 175.35 176.56 1p9j s TYR 31 N -1.27 2.85 0.35 1.78 1.51 -1.26 -3.35 117.35 117.95 1p9j s TYR 31 Ca 0.25 -0.07 -0.11 0.00 -1.01 0.00 0.00 57.07 56.13 1p9j s TYR 31 Cb -0.12 -1.57 0.03 0.00 -0.11 0.00 0.00 41.96 40.19 1p9j s TYR 31 CO 0.17 0.38 0.63 0.00 -1.11 0.00 0.00 175.55 175.62 1p9j s ALA 32 N -1.04 -0.14 -0.02 3.71 0.00 -0.04 -5.01 121.76 119.21 1p9j s ALA 32 Ca 0.18 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.16 1p9j s ALA 32 Cb -0.11 0.91 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 1p9j s ALA 32 CO 0.09 -0.90 -0.19 0.00 0.00 0.00 0.00 175.76 174.76 1p9j s ASN 34 N -0.32 4.94 0.50 0.00 2.47 0.43 -4.96 114.94 117.99 1p9j s ASN 34 Ca 0.04 0.06 0.08 0.00 0.42 0.00 0.00 52.86 53.46 1p9j s ASN 34 Cb -0.09 -1.32 0.03 0.00 -1.45 0.00 0.00 41.25 38.43 1p9j s ASN 34 CO 0.00 0.37 0.56 0.00 -3.72 0.00 0.00 177.10 174.32 1p9j s VAL 36 N -2.58 3.67 -0.16 0.00 1.01 -1.26 -4.94 120.40 116.14 1p9j s VAL 36 Ca 0.51 0.69 -0.29 0.00 0.00 0.00 0.00 61.98 62.89 1p9j s VAL 36 Cb -0.05 -3.26 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 1p9j s VAL 36 CO 0.31 -0.57 1.01 -0.69 0.00 0.00 0.00 175.10 175.17 1p9j s VAL 37 N -2.64 4.75 0.00 2.92 1.01 -1.26 -3.41 120.40 121.76 1p9j s VAL 37 Ca 0.63 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.62 1p9j s VAL 37 Cb -0.17 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.91 1p9j s VAL 37 CO 0.45 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1p9j n GLY 38 N 3.20 1.22 3.34 4.51 0.00 -1.26 -5.05 105.19 111.15 1p9j n GLY 38 Ca 0.10 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 2.39 0.37 1.61 1.51 -1.22 -0.62 117.35 119.39 1p9j s TYR 39 Ca 0.00 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 1p9j s TYR 39 Cb 0.00 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 1p9j s TYR 39 CO 0.00 0.01 0.12 0.96 -1.11 0.00 0.00 175.55 175.52 1p9j s ILE 40 N -0.64 0.69 0.00 2.71 -4.36 0.75 -4.89 121.20 115.46 1p9j s ILE 40 Ca 0.10 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 1p9j s ILE 40 Cb -0.10 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.13 1p9j s ILE 40 CO -0.01 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.78 1p9j n GLY 41 N -0.80 1.46 0.32 6.27 0.00 -1.26 -1.62 105.19 109.56 1p9j n GLY 41 Ca -0.04 -1.90 -0.05 0.00 0.00 0.00 0.00 46.02 44.03 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 1.10 -0.48 1.61 4.39 -2.00 -2.31 114.58 116.89 1p9j h GLU 42 Ca 0.00 -0.11 -0.32 0.00 0.34 0.00 0.00 59.36 59.27 1p9j h GLU 42 Cb 0.00 -0.22 -0.21 0.00 -0.10 0.00 0.00 28.75 28.22 1p9j h GLU 42 CO 0.00 0.79 -0.29 2.89 -1.16 0.00 0.00 179.01 181.23 1p9j n ARG 43 N -4.45 2.44 -2.49 2.33 1.85 -1.26 -4.95 116.66 110.13 1p9j n ARG 43 Ca 0.08 -3.54 -0.21 0.00 -1.00 0.00 0.00 57.85 53.18 1p9j n ARG 43 Cb 0.07 -1.98 -0.00 0.00 -1.05 0.00 0.00 32.46 29.50 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 -0.19 0.06 -6.01 0.00 4.15 -1.67 -3.42 115.11 108.02 1p9j h GLN 45 Ca -0.50 -0.10 -0.57 0.00 0.77 0.00 0.00 58.65 58.26 1p9j h GLN 45 Cb 1.37 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 29.06 1p9j h GLN 45 CO 0.58 0.81 -0.48 0.71 -1.93 0.00 0.00 178.83 178.52 1p9j s TYR 46 N -2.64 3.48 -0.01 3.99 2.02 -0.64 -4.94 117.35 118.60 1p9j s TYR 46 Ca -0.04 0.15 -0.01 0.00 -0.37 0.00 0.00 57.07 56.80 1p9j s TYR 46 Cb 0.08 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 1p9j s TYR 46 CO 0.83 0.54 0.09 0.50 -1.57 0.00 0.00 175.55 175.93 1p9j s ARG 47 N -2.99 3.11 -0.37 -0.62 3.52 -1.26 -0.18 118.95 120.16 1p9j s ARG 47 Ca 0.34 -0.45 -0.22 0.00 -0.13 0.00 0.00 55.73 55.27 1p9j s ARG 47 Cb -0.12 -2.89 0.01 0.00 -1.56 0.00 0.00 34.95 30.39 1p9j s ARG 47 CO 0.28 0.66 0.71 0.34 -0.81 0.00 0.00 175.30 176.48 1p9j s ASP 48 N -1.69 6.48 0.13 -2.12 2.15 0.21 -4.84 116.67 116.99 1p9j s ASP 48 Ca 0.22 0.21 0.21 0.00 0.43 0.00 0.00 52.55 53.63 1p9j s ASP 48 Cb -0.12 -2.36 -0.09 0.00 -0.30 0.00 0.00 42.92 40.05 1p9j s ASP 48 CO 0.13 -0.68 0.89 0.18 -0.17 0.00 0.00 175.17 175.52 1p9j n LEU 49 N 6.25 0.72 0.07 -1.34 4.77 -1.26 -4.75 117.00 121.46 1p9j n LEU 49 Ca 0.01 0.29 0.05 0.00 -0.03 0.00 0.00 56.01 56.32 1p9j n LEU 49 Cb 0.48 -0.00 0.48 0.00 -2.33 0.00 0.00 43.42 42.05 1p9j n LEU 49 CO 0.52 -0.06 1.13 0.11 -1.33 0.00 0.00 177.39 177.75 1p9j h LYS 50 N 0.00 0.38 0.07 3.23 6.56 -1.99 -2.87 116.57 121.95 1p9j h LYS 50 Ca -0.05 -0.03 -0.19 0.00 -1.06 0.00 0.00 60.65 59.32 1p9j h LYS 50 Cb 1.18 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.74 1p9j h LYS 50 CO 0.01 0.26 -0.99 0.11 -2.06 0.00 0.00 179.45 176.79 1p9j h TRP 51 N 0.39 0.27 -0.01 -1.35 0.09 -2.04 -3.40 115.95 109.90 1p9j h TRP 51 Ca 0.11 -0.20 0.00 0.00 0.09 0.00 0.00 58.89 58.89 1p9j h TRP 51 Cb -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.16 29.20 1p9j h TRP 51 CO 0.00 1.38 -0.08 -2.67 0.09 0.00 0.00 178.44 177.16 1p9j n TRP 52 N -4.21 0.00 -0.42 0.12 4.27 -1.10 -4.69 117.44 111.41 1p9j n TRP 52 Ca -0.22 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.36 1p9j n TRP 52 Cb 0.75 -0.05 -0.05 0.00 -1.36 0.00 0.00 31.31 30.60 1p9j n TRP 52 CO 0.00 0.00 0.00 -0.85 -2.29 0.00 0.00 177.69 174.55 1p9j n GLU 53 N -0.22 0.83 0.00 -2.67 0.28 -1.12 -5.16 120.64 112.58 1p9j n GLU 53 Ca 0.17 -0.32 0.15 0.00 -0.16 0.00 0.00 57.16 57.00 1p9j n GLU 53 Cb 0.33 -1.56 0.63 0.00 1.43 0.00 0.00 31.44 32.27 1p9j n GLU 53 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25