#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 0.08 3.34 1.01 -1.26 -4.67 120.40 123.98 1p9j s VAL 2 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1p9j s VAL 2 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1p9j s VAL 2 CO 0.00 0.20 0.00 -1.20 0.00 0.00 0.00 175.10 174.10 1p9j n SER 3 N 4.44 0.16 -4.25 3.32 7.64 -1.26 -5.12 113.62 118.55 1p9j n SER 3 Ca -0.04 0.12 -0.22 0.00 1.01 0.00 0.00 58.87 59.74 1p9j n SER 3 Cb 0.51 0.02 -0.12 0.00 -1.01 0.00 0.00 64.21 63.60 1p9j n SER 3 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1p9j s HIS 4 N -2.00 1.63 0.06 1.43 5.65 -1.26 -5.14 115.29 115.66 1p9j s HIS 4 Ca 0.00 -0.43 0.03 0.00 0.25 0.00 0.00 55.06 54.91 1p9j s HIS 4 Cb 0.00 -0.90 -0.04 0.00 -1.18 0.00 0.00 32.58 30.46 1p9j s HIS 4 CO 0.00 0.16 0.06 -0.06 -0.65 0.00 0.00 174.74 174.25 1p9j s PHE 5 N -1.19 3.15 0.41 3.88 0.08 -1.26 -5.08 117.98 117.97 1p9j s PHE 5 Ca 0.04 0.07 0.08 0.00 0.12 0.00 0.00 56.93 57.24 1p9j s PHE 5 Cb -0.10 -1.62 -0.01 0.00 -0.57 0.00 0.00 43.02 40.72 1p9j s PHE 5 CO 0.04 0.51 0.44 -0.80 -0.10 0.00 0.00 175.22 175.31 1p9j s ASN 6 N -2.21 5.33 0.38 1.36 -0.87 -1.26 -5.14 114.94 112.53 1p9j s ASN 6 Ca 0.27 -0.58 0.04 0.00 -1.57 0.00 0.00 52.86 51.01 1p9j s ASN 6 Cb -0.12 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.25 40.41 1p9j s ASN 6 CO 0.19 -0.66 0.13 -1.81 -2.57 0.00 0.00 177.10 172.39 1p9j s ASP 7 N -4.20 2.47 -0.82 -1.22 1.01 -1.26 -4.76 116.67 107.89 1p9j s ASP 7 Ca 0.50 -1.62 0.01 0.00 0.71 0.00 0.00 52.55 52.15 1p9j s ASP 7 Cb -0.06 0.41 0.20 0.00 1.01 0.00 0.00 42.92 44.48 1p9j s ASP 7 CO 0.30 -0.89 0.67 0.00 0.21 0.00 0.00 175.17 175.46 1p9j h PRO 9 N 5.68 -0.21 -0.13 0.00 0.13 -1.99 -3.39 132.00 132.10 1p9j h PRO 9 Ca 0.16 0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 65.12 1p9j h PRO 9 Cb 0.78 0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.96 1p9j h PRO 9 CO 0.80 0.04 -0.62 1.37 -0.23 0.00 0.00 178.00 179.36 1p9j h LEU 10 N -1.01 0.76 -9.79 1.56 8.10 -2.04 -3.46 115.31 109.44 1p9j h LEU 10 Ca -0.02 -0.64 -0.52 0.00 0.11 0.00 0.00 57.88 56.81 1p9j h LEU 10 Cb 0.34 -0.23 -0.03 0.00 -0.44 0.00 0.00 40.66 40.30 1p9j h LEU 10 CO 0.04 1.28 0.13 -0.55 -4.11 0.00 0.00 178.44 175.23 1p9j s SER 11 N -6.86 7.20 -0.14 0.17 0.15 -1.26 -5.07 113.70 107.88 1p9j s SER 11 Ca -0.12 1.51 -0.04 0.00 0.70 0.00 0.00 55.95 58.00 1p9j s SER 11 Cb 0.07 -2.45 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 1p9j s SER 11 CO 0.86 0.12 0.00 -2.28 1.20 0.00 0.00 173.24 173.14 1p9j s HIS 12 N -1.34 3.12 0.20 3.44 2.46 -1.26 -4.84 115.29 117.08 1p9j s HIS 12 Ca 0.39 -0.06 -0.10 0.00 0.47 0.00 0.00 55.06 55.76 1p9j s HIS 12 Cb -0.20 -1.94 -0.07 0.00 -0.13 0.00 0.00 32.58 30.24 1p9j s HIS 12 CO 0.23 0.15 0.52 0.34 -2.47 0.00 0.00 174.74 173.52 1p9j s ASP 13 N 0.02 6.63 -0.00 9.88 2.15 -1.26 -5.02 116.67 129.07 1p9j s ASP 13 Ca 0.02 0.89 0.22 0.00 0.43 0.00 0.00 52.55 54.11 1p9j s ASP 13 Cb -0.13 -2.21 -0.21 0.00 -0.30 0.00 0.00 42.92 40.06 1p9j s ASP 13 CO 0.02 -0.03 0.78 0.61 -0.17 0.00 0.00 175.17 176.39 1p9j n GLY 14 N 0.03 -1.04 0.07 2.66 0.00 -1.26 -4.41 105.19 101.25 1p9j n GLY 14 Ca -0.01 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 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 0.05 -3.30 1.61 3.20 -1.97 -3.45 116.97 113.10 1p9j h TYR 15 Ca 0.00 -0.03 -0.57 0.00 3.14 0.00 0.00 58.73 61.27 1p9j h TYR 15 Cb 0.71 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.92 1p9j h TYR 15 CO 0.00 0.97 -0.02 0.00 -1.64 0.00 0.00 178.16 177.47 1p9j s LEU 17 N -0.15 3.02 -1.13 0.00 2.01 -0.50 -4.51 118.68 117.42 1p9j s LEU 17 Ca 0.31 0.36 0.00 0.00 0.01 0.00 0.00 54.13 54.81 1p9j s LEU 17 Cb -0.18 -3.11 0.00 0.00 0.01 0.00 0.00 46.19 42.91 1p9j s LEU 17 CO 0.17 -1.37 0.00 1.57 1.01 0.00 0.00 176.35 177.72 1p9j n HIS 18 N -2.69 -0.43 -3.10 0.29 -0.00 -1.26 -3.86 115.22 104.16 1p9j n HIS 18 Ca 0.07 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.16 1p9j n HIS 18 Cb 0.60 -2.64 0.01 0.00 -0.12 0.00 0.00 29.99 27.84 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 -0.28 -7.35 -4.91 0.26 -0.08 -1.26 -5.02 116.55 97.91 1p9j n ASP 19 Ca -0.14 0.05 -0.27 0.00 -1.51 0.00 0.00 54.79 52.92 1p9j n ASP 19 Cb 0.56 -4.65 0.05 0.00 2.34 0.00 0.00 41.12 39.42 1p9j n ASP 19 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1p9j s GLY 20 N -2.72 1.63 -0.74 0.27 0.00 -1.25 -5.01 107.32 99.50 1p9j s GLY 20 Ca 0.13 -0.66 -0.18 0.00 0.00 0.00 0.00 44.72 44.00 1p9j s GLY 20 CO 0.78 -0.32 0.86 0.14 0.00 0.00 0.00 173.10 174.57 1p9j s VAL 21 N -3.18 4.89 0.11 1.40 1.01 -0.49 -4.91 120.40 119.24 1p9j s VAL 21 Ca 0.57 -1.37 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1p9j s VAL 21 Cb -0.11 -4.59 -0.07 0.00 0.00 0.00 0.00 36.38 31.61 1p9j s VAL 21 CO 0.47 -1.25 0.58 0.00 0.00 0.00 0.00 175.10 174.89 1p9j s MET 23 N -1.50 0.40 -0.25 0.00 0.23 -0.56 -2.64 119.30 114.98 1p9j s MET 23 Ca 0.33 0.90 -0.11 0.00 -1.03 0.00 0.00 55.69 55.79 1p9j s MET 23 Cb -0.18 0.10 -0.05 0.00 -1.53 0.00 0.00 34.83 33.18 1p9j s MET 23 CO 0.19 -0.18 0.18 -0.47 -2.03 0.00 0.00 175.02 172.71 1p9j s TYR 24 N 1.78 3.29 -0.38 3.16 6.14 -1.26 -1.52 117.35 128.56 1p9j s TYR 24 Ca -0.07 0.23 -0.05 0.00 0.64 0.00 0.00 57.07 57.81 1p9j s TYR 24 Cb -0.09 -2.32 0.08 0.00 0.42 0.00 0.00 41.96 40.05 1p9j s TYR 24 CO -0.13 0.00 0.17 0.96 0.64 0.00 0.00 175.55 177.19 1p9j s ILE 25 N 1.26 3.58 0.15 3.14 -0.00 -0.24 -4.79 121.20 124.30 1p9j s ILE 25 Ca 0.08 -1.61 -0.15 0.00 -0.00 0.00 0.00 60.65 58.97 1p9j s ILE 25 Cb -0.14 -3.24 0.03 0.00 -0.00 0.00 0.00 42.46 39.10 1p9j s ILE 25 CO 0.06 -0.46 1.75 -0.08 -0.00 0.00 0.00 174.94 176.21 1p9j h GLU 26 N 8.17 0.64 0.00 0.37 4.22 -1.95 -1.58 114.58 124.46 1p9j h GLU 26 Ca -0.19 -0.08 -0.06 0.00 0.08 0.00 0.00 59.36 59.11 1p9j h GLU 26 Cb 1.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1p9j h GLU 26 CO 0.67 0.53 -0.28 0.00 -2.18 0.00 0.00 179.01 177.75 1p9j h ALA 27 N 1.08 1.41 0.00 2.92 0.00 -1.94 -1.99 119.26 120.75 1p9j h ALA 27 Ca 0.16 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1p9j h ALA 27 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1p9j h ALA 27 CO -0.02 0.35 -1.14 -0.07 0.00 0.00 0.00 179.25 178.36 1p9j h LEU 28 N 0.00 0.00 0.09 0.00 3.38 -1.80 -3.38 115.31 113.60 1p9j h LEU 28 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1p9j h LEU 28 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1p9j h LEU 28 CO 0.04 0.29 -0.04 -0.67 0.09 0.00 0.00 178.44 178.15 1p9j n ASP 29 N -2.81 -3.23 -4.49 -0.43 2.03 -0.63 -5.04 116.55 101.94 1p9j n ASP 29 Ca -0.04 0.05 -0.25 0.00 0.52 0.00 0.00 54.79 55.06 1p9j n ASP 29 Cb 0.69 -0.90 -0.10 0.00 -0.72 0.00 0.00 41.12 40.09 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 -2.15 1.77 0.06 -0.67 -0.14 -0.99 -4.99 119.74 112.63 1p9j s LYS 30 Ca 0.00 -1.54 -0.04 0.00 -1.36 0.00 0.00 55.97 53.03 1p9j s LYS 30 Cb 0.00 -1.92 -0.02 0.00 -1.68 0.00 0.00 37.83 34.20 1p9j s LYS 30 CO 0.00 0.38 0.06 1.52 -0.76 0.00 0.00 175.35 176.55 1p9j s TYR 31 N -2.02 0.36 0.08 3.18 1.13 -1.26 -1.08 117.35 117.73 1p9j s TYR 31 Ca 0.26 -0.83 -0.15 0.00 -1.41 0.00 0.00 57.07 54.94 1p9j s TYR 31 Cb -0.07 -0.25 0.02 0.00 -1.10 0.00 0.00 41.96 40.57 1p9j s TYR 31 CO 0.14 -0.43 0.34 0.00 -2.51 0.00 0.00 175.55 173.09 1p9j s ALA 32 N -3.69 -0.76 -0.23 9.51 0.00 -0.57 -5.01 121.76 121.00 1p9j s ALA 32 Ca 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1p9j s ALA 32 Cb 0.05 0.47 0.06 0.00 0.00 0.00 0.00 23.12 23.70 1p9j s ALA 32 CO -0.09 -0.51 -0.07 0.00 0.00 0.00 0.00 175.76 175.09 1p9j s ASN 34 N 1.36 6.46 0.20 0.00 3.84 0.54 -4.91 114.94 122.43 1p9j s ASN 34 Ca -0.05 0.51 0.10 0.00 0.21 0.00 0.00 52.86 53.62 1p9j s ASN 34 Cb -0.19 -2.08 -0.04 0.00 -0.55 0.00 0.00 41.25 38.39 1p9j s ASN 34 CO -0.06 0.31 -0.19 0.00 -2.79 0.00 0.00 177.10 174.37 1p9j s VAL 36 N -2.27 2.17 0.06 0.00 1.01 -1.26 -5.00 120.40 115.12 1p9j s VAL 36 Ca 0.21 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.94 1p9j s VAL 36 Cb -0.05 -2.80 -0.07 0.00 0.00 0.00 0.00 36.38 33.46 1p9j s VAL 36 CO 0.09 -0.07 1.42 -0.69 0.00 0.00 0.00 175.10 175.84 1p9j s VAL 37 N -3.25 3.44 0.00 2.92 1.01 -1.26 -3.66 120.40 119.60 1p9j s VAL 37 Ca 0.63 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.57 1p9j s VAL 37 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1p9j s VAL 37 CO 0.53 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1p9j n GLY 38 N 3.61 0.73 3.21 4.51 0.00 -1.26 -5.05 105.19 110.94 1p9j n GLY 38 Ca 0.13 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 2.47 0.20 1.61 2.02 -1.24 -1.66 117.35 118.76 1p9j s TYR 39 Ca 0.00 -0.98 0.05 0.00 -0.37 0.00 0.00 57.07 55.77 1p9j s TYR 39 Cb 0.00 -1.65 -0.05 0.00 -0.40 0.00 0.00 41.96 39.86 1p9j s TYR 39 CO 0.00 -0.39 -0.08 0.96 -1.57 0.00 0.00 175.55 174.48 1p9j s ILE 40 N 0.30 1.33 0.00 2.71 -4.36 -0.22 -4.94 121.20 116.02 1p9j s ILE 40 Ca -0.17 -2.10 0.00 0.00 -0.26 0.00 0.00 60.65 58.12 1p9j s ILE 40 Cb -0.17 -2.13 0.00 0.00 1.25 0.00 0.00 42.46 41.41 1p9j s ILE 40 CO 0.08 -0.52 0.00 0.61 0.24 0.00 0.00 174.94 175.35 1p9j n GLY 41 N -0.36 1.94 0.27 6.27 0.00 -1.26 -0.83 105.19 111.22 1p9j n GLY 41 Ca -0.07 -2.01 -0.02 0.00 0.00 0.00 0.00 46.02 43.92 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 0.77 -0.16 1.61 4.39 -2.00 -2.62 114.58 116.56 1p9j h GLU 42 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1p9j h GLU 42 Cb 0.00 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 1p9j h GLU 42 CO 0.00 0.51 0.00 2.89 -1.16 0.00 0.00 179.01 181.25 1p9j n ARG 43 N -4.72 2.31 -3.30 2.33 1.85 -1.26 -4.96 116.66 108.91 1p9j n ARG 43 Ca 0.09 -2.64 -0.17 0.00 -1.00 0.00 0.00 57.85 54.13 1p9j n ARG 43 Cb 0.14 -1.65 0.07 0.00 -1.05 0.00 0.00 32.46 29.97 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 -3.31 0.73 -4.19 0.00 -0.06 -0.42 -4.57 117.38 105.56 1p9j n GLN 45 Ca -0.07 0.24 -0.24 0.00 -2.00 0.00 0.00 57.00 54.94 1p9j n GLN 45 Cb 0.61 -1.67 -0.07 0.00 -4.06 0.00 0.00 30.24 25.06 1p9j n GLN 45 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 1p9j s TYR 46 N -2.55 2.65 -0.12 3.69 2.02 -0.01 -4.96 117.35 118.08 1p9j s TYR 46 Ca -0.25 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 55.99 1p9j s TYR 46 Cb 0.07 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 40.02 1p9j s TYR 46 CO 0.73 0.40 0.09 -0.98 -1.57 0.00 0.00 175.55 174.21 1p9j s ARG 47 N -3.79 3.38 -0.37 -0.62 1.70 -1.26 -1.05 118.95 116.93 1p9j s ARG 47 Ca 0.36 -0.23 -0.22 0.00 -0.47 0.00 0.00 55.73 55.17 1p9j s ARG 47 Cb -0.02 -3.08 0.01 0.00 -0.57 0.00 0.00 34.95 31.29 1p9j s ARG 47 CO 0.21 0.69 0.70 0.34 -1.08 0.00 0.00 175.30 176.17 1p9j s ASP 48 N -0.81 6.47 -0.10 -2.89 2.15 -0.66 -4.89 116.67 115.94 1p9j s ASP 48 Ca 0.13 0.18 0.06 0.00 0.43 0.00 0.00 52.55 53.35 1p9j s ASP 48 Cb -0.12 -2.36 0.33 0.00 -0.30 0.00 0.00 42.92 40.48 1p9j s ASP 48 CO 0.03 -0.68 1.01 0.18 -0.17 0.00 0.00 175.17 175.54 1p9j n LEU 49 N 6.25 2.93 -0.20 -1.34 4.77 -1.26 -4.50 117.00 123.65 1p9j n LEU 49 Ca 0.01 -1.48 -0.09 0.00 -0.03 0.00 0.00 56.01 54.42 1p9j n LEU 49 Cb 0.48 -0.58 0.02 0.00 -2.33 0.00 0.00 43.42 41.01 1p9j n LEU 49 CO 0.52 0.41 0.88 0.11 -1.33 0.00 0.00 177.39 177.97 1p9j h LYS 50 N 1.59 0.91 0.00 3.23 6.56 -1.92 0.16 116.57 127.10 1p9j h LYS 50 Ca 0.00 -0.24 -0.30 0.00 -1.06 0.00 0.00 60.65 59.06 1p9j h LYS 50 Cb 1.11 -0.11 -0.05 0.00 -0.57 0.00 0.00 32.23 32.60 1p9j h LYS 50 CO 0.20 0.87 -1.88 -2.67 -2.06 0.00 0.00 179.45 173.92 1p9j n TRP 51 N -4.36 0.70 -0.14 -1.35 2.14 -1.26 -4.42 117.44 108.74 1p9j n TRP 51 Ca 0.02 0.25 -0.09 0.00 2.07 0.00 0.00 57.50 59.75 1p9j n TRP 51 Cb 0.26 -1.11 0.05 0.00 -0.81 0.00 0.00 31.31 29.70 1p9j n TRP 51 CO 0.00 0.00 0.00 -1.49 2.07 0.00 0.00 177.69 178.27 1p9j h TRP 52 N 0.00 1.03 -2.92 -2.67 -0.00 -1.78 -3.18 115.95 106.44 1p9j h TRP 52 Ca -0.34 -0.22 -0.77 0.00 -0.00 0.00 0.00 58.89 57.56 1p9j h TRP 52 Cb 2.02 -0.25 -0.31 0.00 -0.00 0.00 0.00 29.16 30.62 1p9j h TRP 52 CO 0.00 1.00 0.46 -1.91 -0.00 0.00 0.00 178.44 177.99 1p9j n GLU 53 N -4.13 3.92 0.00 0.49 2.13 0.55 -5.09 120.64 118.50 1p9j n GLU 53 Ca 0.01 -4.56 0.01 0.00 0.66 0.00 0.00 57.16 53.28 1p9j n GLU 53 Cb 0.42 -2.47 0.01 0.00 0.27 0.00 0.00 31.44 29.67 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61