#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 5.01 0.01 2.52 -7.23 -1.26 -4.71 120.40 114.74 1p9j s VAL 2 Ca 0.00 1.29 0.00 0.00 -1.81 0.00 0.00 61.98 61.46 1p9j s VAL 2 Cb 0.00 -3.98 0.00 0.00 0.56 0.00 0.00 36.38 32.96 1p9j s VAL 2 CO 0.00 0.14 0.00 -1.20 -0.31 0.00 0.00 175.10 173.73 1p9j n SER 3 N 4.75 0.11 -4.29 4.85 7.64 -1.26 -5.07 113.62 120.35 1p9j n SER 3 Ca -0.01 0.01 -0.22 0.00 1.01 0.00 0.00 58.87 59.67 1p9j n SER 3 Cb 0.50 -0.03 -0.12 0.00 -1.01 0.00 0.00 64.21 63.55 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 -2.00 1.72 -0.21 1.43 0.09 -1.26 -5.13 115.29 109.93 1p9j s HIS 4 Ca 0.00 -0.46 -0.15 0.00 -0.00 0.00 0.00 55.06 54.45 1p9j s HIS 4 Cb 0.00 -0.90 -0.04 0.00 -0.00 0.00 0.00 32.58 31.64 1p9j s HIS 4 CO 0.00 0.24 0.38 0.12 -0.00 0.00 0.00 174.74 175.48 1p9j s PHE 5 N -1.65 3.36 0.33 1.40 5.36 -1.26 -5.07 117.98 120.44 1p9j s PHE 5 Ca 0.10 0.57 0.07 0.00 -0.96 0.00 0.00 56.93 56.71 1p9j s PHE 5 Cb -0.08 -2.51 -0.03 0.00 -0.34 0.00 0.00 43.02 40.07 1p9j s PHE 5 CO 0.05 -0.02 0.30 -0.80 -1.46 0.00 0.00 175.22 173.28 1p9j s ASN 6 N 1.09 5.36 -0.70 6.13 0.01 -1.26 -5.06 114.94 120.51 1p9j s ASN 6 Ca 0.18 -0.45 -0.24 0.00 -0.71 0.00 0.00 52.86 51.64 1p9j s ASN 6 Cb -0.15 -1.03 0.05 0.00 0.41 0.00 0.00 41.25 40.53 1p9j s ASN 6 CO 0.08 -0.33 1.10 1.51 -1.51 0.00 0.00 177.10 177.95 1p9j s ASP 7 N -3.99 6.18 -0.12 -1.22 -4.77 -1.26 -4.93 116.67 106.56 1p9j s ASP 7 Ca 0.40 -0.80 -0.05 0.00 -3.30 0.00 0.00 52.55 48.80 1p9j s ASP 7 Cb -0.06 -2.48 -0.02 0.00 -1.09 0.00 0.00 42.92 39.27 1p9j s ASP 7 CO 0.27 -1.60 -0.11 0.00 0.70 0.00 0.00 175.17 174.43 1p9j n PRO 9 N -4.53 2.05 -0.02 0.00 -0.04 -1.26 -4.30 135.00 126.89 1p9j n PRO 9 Ca -0.04 -1.44 -0.11 0.00 -0.04 0.00 0.00 63.50 61.87 1p9j n PRO 9 Cb 0.16 -1.95 0.03 0.00 -0.04 0.00 0.00 33.50 31.70 1p9j n PRO 9 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1p9j h LEU 10 N 4.29 0.73-10.45 1.53 3.38 -2.02 -3.45 115.31 109.32 1p9j h LEU 10 Ca 0.25 -0.38 -0.47 0.00 0.09 0.00 0.00 57.88 57.37 1p9j h LEU 10 Cb 1.15 -0.21 0.06 0.00 0.09 0.00 0.00 40.66 41.75 1p9j h LEU 10 CO 0.48 1.12 0.15 -0.94 0.09 0.00 0.00 178.44 179.34 1p9j s SER 11 N -6.92 5.48 0.49 -0.43 1.04 -1.26 -5.08 113.70 107.02 1p9j s SER 11 Ca -0.08 0.60 -0.20 0.00 0.48 0.00 0.00 55.95 56.74 1p9j s SER 11 Cb 0.11 -1.56 -0.08 0.00 0.10 0.00 0.00 66.02 64.59 1p9j s SER 11 CO 0.85 -1.11 1.06 -2.28 0.98 0.00 0.00 173.24 172.75 1p9j s HIS 12 N -2.97 2.94 0.82 5.02 2.46 -1.26 -5.03 115.29 117.26 1p9j s HIS 12 Ca 0.54 1.57 -0.11 0.00 0.47 0.00 0.00 55.06 57.54 1p9j s HIS 12 Cb -0.10 -3.13 0.08 0.00 -0.13 0.00 0.00 32.58 29.29 1p9j s HIS 12 CO 0.44 -1.01 1.09 0.34 -2.47 0.00 0.00 174.74 173.14 1p9j s ASP 13 N -1.87 4.11 0.00 9.88 -1.08 -1.26 -5.04 116.67 121.40 1p9j s ASP 13 Ca 0.68 1.77 0.00 0.00 -0.52 0.00 0.00 52.55 54.48 1p9j s ASP 13 Cb -0.19 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1p9j s ASP 13 CO 0.23 -2.28 0.00 0.61 0.52 0.00 0.00 175.17 174.25 1p9j n GLY 14 N -1.06 0.18 0.14 2.66 0.00 -1.26 -4.97 105.19 100.87 1p9j n GLY 14 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 0.69 -3.38 1.61 5.03 -2.00 -3.47 116.97 115.45 1p9j h TYR 15 Ca 0.00 -0.50 -0.55 0.00 2.58 0.00 0.00 58.73 60.26 1p9j h TYR 15 Cb 0.00 -0.03 -0.04 0.00 1.55 0.00 0.00 36.73 38.22 1p9j h TYR 15 CO 0.00 1.60 0.00 0.00 -1.32 0.00 0.00 178.16 178.44 1p9j s LEU 17 N -1.69 4.03 -1.22 0.00 1.02 -0.77 -4.59 118.68 115.47 1p9j s LEU 17 Ca 0.37 -0.08 -0.00 0.00 0.02 0.00 0.00 54.13 54.43 1p9j s LEU 17 Cb -0.17 -2.58 0.00 0.00 0.02 0.00 0.00 46.19 43.46 1p9j s LEU 17 CO 0.20 -0.02 0.98 1.41 0.02 0.00 0.00 176.35 178.93 1p9j n HIS 18 N -1.07 -2.19 -2.61 0.29 8.25 -1.26 -4.41 115.22 112.22 1p9j n HIS 18 Ca -0.08 0.93 -0.03 0.00 -0.26 0.00 0.00 57.72 58.28 1p9j n HIS 18 Cb 0.57 -5.01 0.00 0.00 1.12 0.00 0.00 29.99 26.67 1p9j n HIS 18 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1p9j n ASP 19 N -3.12 -6.52 -4.72 0.41 2.03 -1.26 -4.67 116.55 98.70 1p9j n ASP 19 Ca -0.28 0.19 -0.41 0.00 0.52 0.00 0.00 54.79 54.81 1p9j n ASP 19 Cb 0.67 -4.35 -0.04 0.00 -0.72 0.00 0.00 41.12 36.68 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 -2.49 2.83 -0.72 0.27 0.00 -1.26 -4.74 107.32 101.20 1p9j s GLY 20 Ca 0.10 0.39 -0.27 0.00 0.00 0.00 0.00 44.72 44.94 1p9j s GLY 20 CO 0.58 1.40 1.29 0.14 0.00 0.00 0.00 173.10 176.51 1p9j s VAL 21 N 0.58 3.73 0.28 1.40 1.01 0.37 -4.87 120.40 122.90 1p9j s VAL 21 Ca 0.45 0.44 -0.20 0.00 0.00 0.00 0.00 61.98 62.67 1p9j s VAL 21 Cb -0.20 -4.88 -0.09 0.00 0.00 0.00 0.00 36.38 31.21 1p9j s VAL 21 CO 0.25 -1.80 0.79 0.00 0.00 0.00 0.00 175.10 174.34 1p9j s MET 23 N -2.29 0.88 -0.29 0.00 -1.94 -0.54 -4.73 119.30 110.39 1p9j s MET 23 Ca 0.48 -0.61 0.02 0.00 -1.71 0.00 0.00 55.69 53.87 1p9j s MET 23 Cb -0.15 -2.22 0.07 0.00 2.01 0.00 0.00 34.83 34.54 1p9j s MET 23 CO 0.20 -0.66 -0.04 -0.47 -0.01 0.00 0.00 175.02 174.04 1p9j s TYR 24 N 1.73 3.38 -0.28 -0.03 5.04 -1.26 -1.19 117.35 124.73 1p9j s TYR 24 Ca -0.01 -2.36 -0.07 0.00 -2.44 0.00 0.00 57.07 52.19 1p9j s TYR 24 Cb -0.18 -2.21 -0.00 0.00 0.35 0.00 0.00 41.96 39.92 1p9j s TYR 24 CO -0.09 -0.88 0.07 0.42 -1.34 0.00 0.00 175.55 173.73 1p9j s ILE 25 N 1.10 4.04 0.29 3.14 1.09 -1.18 -4.95 121.20 124.73 1p9j s ILE 25 Ca -0.04 -0.55 0.00 0.00 -1.10 0.00 0.00 60.65 58.96 1p9j s ILE 25 Cb -0.20 -3.02 0.28 0.00 -1.06 0.00 0.00 42.46 38.46 1p9j s ILE 25 CO -0.05 0.16 1.90 -0.33 -0.10 0.00 0.00 174.94 176.52 1p9j h GLU 26 N 8.23 1.03 -0.60 2.79 4.39 -1.95 -0.71 114.58 127.77 1p9j h GLU 26 Ca -0.34 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.39 1p9j h GLU 26 Cb 1.14 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 29.52 1p9j h GLU 26 CO 0.60 0.68 0.40 0.00 -1.16 0.00 0.00 179.01 179.53 1p9j h ALA 27 N 1.50 1.98 0.02 3.43 0.00 -1.94 -2.62 119.26 121.63 1p9j h ALA 27 Ca 0.41 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 55.01 1p9j h ALA 27 Cb 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1p9j h ALA 27 CO -0.16 -0.11 -1.74 -0.07 0.00 0.00 0.00 179.25 177.17 1p9j h LEU 28 N 0.44 0.07 0.00 0.00 4.07 -1.68 -3.38 115.31 114.82 1p9j h LEU 28 Ca 0.27 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1p9j h LEU 28 Cb 0.50 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1p9j h LEU 28 CO -0.08 1.13 0.00 0.47 -1.08 0.00 0.00 178.44 178.89 1p9j n ASP 29 N -3.12 -3.49 -4.85 -0.43 8.00 -0.33 -5.02 116.55 107.30 1p9j n ASP 29 Ca -0.19 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.03 1p9j n ASP 29 Cb 1.05 -1.18 -0.05 0.00 -0.02 0.00 0.00 41.12 40.93 1p9j n ASP 29 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1p9j s LYS 30 N -0.46 3.13 0.04 -1.24 -0.14 -1.24 -4.98 119.74 114.85 1p9j s LYS 30 Ca 0.00 -0.68 0.02 0.00 -1.36 0.00 0.00 55.97 53.95 1p9j s LYS 30 Cb 0.00 -2.82 -0.04 0.00 -1.68 0.00 0.00 37.83 33.30 1p9j s LYS 30 CO 0.00 0.53 0.03 0.71 -0.76 0.00 0.00 175.35 175.86 1p9j s TYR 31 N -1.63 3.11 -0.29 3.18 1.51 -1.26 -3.07 117.35 118.90 1p9j s TYR 31 Ca 0.32 0.07 0.03 0.00 -1.01 0.00 0.00 57.07 56.49 1p9j s TYR 31 Cb -0.11 -1.64 0.18 0.00 -0.11 0.00 0.00 41.96 40.28 1p9j s TYR 31 CO 0.25 0.49 0.52 0.00 -1.11 0.00 0.00 175.55 175.70 1p9j s ALA 32 N -1.21 -1.93 -0.02 3.71 0.00 -0.34 -4.99 121.76 116.98 1p9j s ALA 32 Ca 0.23 0.94 -0.27 0.00 0.00 0.00 0.00 51.96 52.87 1p9j s ALA 32 Cb -0.12 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 1p9j s ALA 32 CO 0.15 -1.68 0.86 0.00 0.00 0.00 0.00 175.76 175.09 1p9j s ASN 34 N 0.86 3.30 0.51 0.00 2.47 -0.41 -4.97 114.94 116.71 1p9j s ASN 34 Ca 0.45 -0.93 0.08 0.00 0.42 0.00 0.00 52.86 52.88 1p9j s ASN 34 Cb -0.20 -0.25 0.04 0.00 -1.45 0.00 0.00 41.25 39.39 1p9j s ASN 34 CO 0.24 0.05 0.54 0.00 -3.72 0.00 0.00 177.10 174.21 1p9j s VAL 36 N -2.62 3.94 0.11 0.00 -7.23 -1.26 -4.88 120.40 108.46 1p9j s VAL 36 Ca 0.49 0.63 -0.27 0.00 -1.81 0.00 0.00 61.98 61.02 1p9j s VAL 36 Cb -0.04 -3.50 -0.07 0.00 0.56 0.00 0.00 36.38 33.33 1p9j s VAL 36 CO 0.30 -0.82 0.82 -0.69 -0.31 0.00 0.00 175.10 174.40 1p9j s VAL 37 N -3.17 4.51 0.00 1.32 1.01 -1.26 -4.28 120.40 118.53 1p9j s VAL 37 Ca 0.58 1.78 0.00 0.00 0.00 0.00 0.00 61.98 64.34 1p9j s VAL 37 Cb -0.13 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1p9j s VAL 37 CO 0.54 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.67 1p9j n GLY 38 N 2.02 0.93 3.02 4.51 0.00 -1.26 -5.04 105.19 109.38 1p9j n GLY 38 Ca -0.03 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.92 0.80 0.26 1.61 2.02 -1.26 -2.10 117.35 116.75 1p9j s TYR 39 Ca 0.00 -0.17 0.09 0.00 -0.37 0.00 0.00 57.07 56.62 1p9j s TYR 39 Cb 0.00 -0.51 -0.05 0.00 -0.40 0.00 0.00 41.96 41.00 1p9j s TYR 39 CO 0.00 -0.01 -0.13 0.96 -1.57 0.00 0.00 175.55 174.80 1p9j s ILE 40 N -0.27 1.94 0.00 2.71 -4.36 0.63 -4.92 121.20 116.93 1p9j s ILE 40 Ca 0.03 -2.24 0.00 0.00 -0.26 0.00 0.00 60.65 58.18 1p9j s ILE 40 Cb -0.04 -2.27 0.00 0.00 1.25 0.00 0.00 42.46 41.40 1p9j s ILE 40 CO -0.00 -0.43 0.00 0.61 0.24 0.00 0.00 174.94 175.36 1p9j n GLY 41 N -0.53 -0.13 0.14 6.27 0.00 -1.26 -2.20 105.19 107.48 1p9j n GLY 41 Ca -0.06 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.12 -0.59 1.61 4.81 -1.99 -2.56 114.58 115.73 1p9j h GLU 42 Ca 0.00 0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 58.98 1p9j h GLU 42 Cb 0.00 0.03 -0.15 0.00 0.63 0.00 0.00 28.75 29.25 1p9j h GLU 42 CO 0.00 -0.08 0.20 2.89 -0.73 0.00 0.00 179.01 181.29 1p9j n ARG 43 N -5.22 2.45 -3.03 1.92 0.00 -1.26 -4.95 116.66 106.57 1p9j n ARG 43 Ca -0.05 -3.08 -0.12 0.00 -0.00 0.00 0.00 57.85 54.60 1p9j n ARG 43 Cb 0.15 -2.00 0.06 0.00 -0.00 0.00 0.00 32.46 30.67 1p9j n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p9j h GLN 45 N -1.40 0.03 -6.31 0.00 4.20 -1.75 -3.39 115.11 106.49 1p9j h GLN 45 Ca -0.40 -0.05 -0.65 0.00 0.06 0.00 0.00 58.65 57.61 1p9j h GLN 45 Cb 1.24 0.02 -0.11 0.00 0.30 0.00 0.00 27.48 28.92 1p9j h GLN 45 CO 0.35 1.02 -0.65 0.71 -0.67 0.00 0.00 178.83 179.59 1p9j s TYR 46 N -2.29 3.03 0.12 2.96 2.02 -0.93 -4.97 117.35 117.29 1p9j s TYR 46 Ca -0.22 -0.00 0.06 0.00 -0.37 0.00 0.00 57.07 56.54 1p9j s TYR 46 Cb 0.01 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.97 1p9j s TYR 46 CO 0.67 0.49 -0.04 -0.98 -1.57 0.00 0.00 175.55 174.12 1p9j s ARG 47 N -2.33 2.34 -0.24 -0.62 1.70 -1.26 -0.27 118.95 118.27 1p9j s ARG 47 Ca 0.27 -0.98 -0.24 0.00 -0.47 0.00 0.00 55.73 54.31 1p9j s ARG 47 Cb -0.12 -2.40 -0.01 0.00 -0.57 0.00 0.00 34.95 31.85 1p9j s ARG 47 CO 0.19 0.51 0.80 -0.51 -1.08 0.00 0.00 175.30 175.20 1p9j s ASP 48 N -2.42 6.79 -0.01 -2.89 1.01 -0.89 -4.91 116.67 113.35 1p9j s ASP 48 Ca 0.24 0.98 0.16 0.00 0.71 0.00 0.00 52.55 54.64 1p9j s ASP 48 Cb -0.11 -2.42 -0.19 0.00 1.01 0.00 0.00 42.92 41.21 1p9j s ASP 48 CO 0.17 -0.49 0.67 0.18 0.21 0.00 0.00 175.17 175.90 1p9j n LEU 49 N 5.96 0.73 0.33 1.23 7.99 -1.26 -4.70 117.00 127.27 1p9j n LEU 49 Ca 0.05 0.33 0.22 0.00 -0.01 0.00 0.00 56.01 56.60 1p9j n LEU 49 Cb 0.48 0.15 1.16 0.00 -0.11 0.00 0.00 43.42 45.10 1p9j n LEU 49 CO 0.47 0.26 1.16 0.07 -1.51 0.00 0.00 177.39 177.84 1p9j h LYS 50 N 0.00 0.00 0.00 3.23 5.09 -1.91 -0.64 116.57 122.34 1p9j h LYS 50 Ca -0.24 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.21 1p9j h LYS 50 Cb 1.78 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 34.06 1p9j h LYS 50 CO 0.05 0.00 -1.67 0.11 -2.09 0.00 0.00 179.45 175.85 1p9j h TRP 51 N 0.00 0.00 -0.02 0.07 0.09 -2.01 -3.40 115.95 110.68 1p9j h TRP 51 Ca 0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 58.89 58.95 1p9j h TRP 51 Cb 0.04 -0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.28 1p9j h TRP 51 CO 0.00 1.00 -0.09 -1.49 0.09 0.00 0.00 178.44 177.96 1p9j h TRP 52 N 0.00 0.13 -3.10 0.12 4.06 -1.44 -3.34 115.95 112.38 1p9j h TRP 52 Ca -0.27 -0.06 -0.81 0.00 2.06 0.00 0.00 58.89 59.82 1p9j h TRP 52 Cb 2.00 -0.02 -0.28 0.00 -1.00 0.00 0.00 29.16 29.86 1p9j h TRP 52 CO 0.00 0.73 0.70 0.39 -3.56 0.00 0.00 178.44 176.70 1p9j n GLU 53 N -4.68 4.20 0.00 0.49 1.02 -0.92 -5.17 120.64 115.58 1p9j n GLU 53 Ca -0.09 -4.52 0.00 0.00 -0.02 0.00 0.00 57.16 52.53 1p9j n GLU 53 Cb 0.37 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20