#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 4.82 -0.04 3.34 0.11 -1.26 -4.69 120.40 122.67 1p9j s VAL 2 Ca 0.00 0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 59.94 1p9j s VAL 2 Cb 0.00 -3.77 -0.03 0.00 -1.53 0.00 0.00 36.38 31.06 1p9j s VAL 2 CO 0.00 0.29 -0.09 -1.54 -3.33 0.00 0.00 175.10 170.44 1p9j n SER 3 N 0.95 0.67 -4.28 3.54 3.41 -1.26 -5.07 113.62 111.58 1p9j n SER 3 Ca -0.06 0.11 -0.23 0.00 -0.26 0.00 0.00 58.87 58.43 1p9j n SER 3 Cb 0.52 -0.25 -0.12 0.00 -0.26 0.00 0.00 64.21 64.09 1p9j n SER 3 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1p9j s HIS 4 N -2.15 1.73 0.16 7.33 5.65 -1.26 -5.15 115.29 121.61 1p9j s HIS 4 Ca -0.09 -0.44 -0.04 0.00 0.25 0.00 0.00 55.06 54.74 1p9j s HIS 4 Cb 0.03 -0.93 -0.05 0.00 -1.18 0.00 0.00 32.58 30.45 1p9j s HIS 4 CO 0.11 0.21 0.40 -0.06 -0.65 0.00 0.00 174.74 174.75 1p9j s PHE 5 N -1.39 3.47 0.21 3.88 0.40 -1.26 -5.06 117.98 118.24 1p9j s PHE 5 Ca 0.08 0.54 0.08 0.00 -0.60 0.00 0.00 56.93 57.02 1p9j s PHE 5 Cb -0.09 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1p9j s PHE 5 CO 0.04 0.40 0.05 -0.80 0.70 0.00 0.00 175.22 175.61 1p9j s ASN 6 N -2.59 4.93 0.07 1.36 0.01 -1.26 -5.14 114.94 112.32 1p9j s ASN 6 Ca 0.41 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 1p9j s ASN 6 Cb -0.12 -1.09 0.00 0.00 0.41 0.00 0.00 41.25 40.45 1p9j s ASN 6 CO 0.26 0.05 0.00 -0.90 -1.51 0.00 0.00 177.10 174.99 1p9j n ASP 7 N -0.50 0.00 -4.77 -1.22 5.75 -1.26 -4.64 116.55 109.91 1p9j n ASP 7 Ca -0.08 -0.87 -0.41 0.00 -0.01 0.00 0.00 54.79 53.41 1p9j n ASP 7 Cb 0.56 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1p9j n ASP 7 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1p9j s PRO 9 N -2.10 0.06 0.33 0.00 0.04 -1.26 -4.95 135.00 127.12 1p9j s PRO 9 Ca 0.54 -0.25 0.03 0.00 0.04 0.00 0.00 61.00 61.36 1p9j s PRO 9 Cb -0.48 -1.76 0.63 0.00 0.04 0.00 0.00 34.50 32.93 1p9j s PRO 9 CO 0.64 -2.83 1.93 -0.07 0.04 0.00 0.00 177.00 176.71 1p9j h LEU 10 N -1.94 0.79 -9.88 -3.56 4.07 -2.05 -3.42 115.31 99.32 1p9j h LEU 10 Ca -0.45 0.01 -0.47 0.00 0.08 0.00 0.00 57.88 57.05 1p9j h LEU 10 Cb 1.26 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.82 1p9j h LEU 10 CO 0.39 0.51 0.34 -0.44 -1.08 0.00 0.00 178.44 178.15 1p9j s SER 11 N -6.10 7.34 0.40 -0.43 0.01 -1.26 -5.05 113.70 108.61 1p9j s SER 11 Ca -0.11 1.83 -0.23 0.00 1.31 0.00 0.00 55.95 58.75 1p9j s SER 11 Cb 0.20 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.75 1p9j s SER 11 CO 0.79 -0.06 0.97 -2.28 0.41 0.00 0.00 173.24 173.06 1p9j s HIS 12 N -1.61 3.40 0.70 2.43 2.46 -1.26 -5.05 115.29 116.35 1p9j s HIS 12 Ca 0.50 1.66 -0.13 0.00 0.47 0.00 0.00 55.06 57.56 1p9j s HIS 12 Cb -0.19 -2.92 0.02 0.00 -0.13 0.00 0.00 32.58 29.36 1p9j s HIS 12 CO 0.24 -0.13 1.10 0.16 -2.47 0.00 0.00 174.74 173.64 1p9j s ASP 13 N -1.93 4.94 0.00 9.88 -4.77 -1.26 -4.98 116.67 118.55 1p9j s ASP 13 Ca 0.58 1.90 0.00 0.00 -3.30 0.00 0.00 52.55 51.74 1p9j s ASP 13 Cb -0.14 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 1p9j s ASP 13 CO 0.18 -1.74 0.00 0.61 0.70 0.00 0.00 175.17 174.92 1p9j n GLY 14 N -0.89 0.01 0.13 2.12 0.00 -1.26 -4.89 105.19 100.41 1p9j n GLY 14 Ca 0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 0.24 -2.94 1.61 3.20 -2.04 -3.44 116.97 113.59 1p9j h TYR 15 Ca 0.00 -0.13 -0.63 0.00 3.14 0.00 0.00 58.73 61.12 1p9j h TYR 15 Cb 0.00 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.17 1p9j h TYR 15 CO 0.00 0.92 -0.32 0.00 -1.64 0.00 0.00 178.16 177.11 1p9j s LEU 17 N -0.74 4.28 -1.54 0.00 1.02 -1.26 -4.20 118.68 116.24 1p9j s LEU 17 Ca 0.19 0.23 -0.10 0.00 0.02 0.00 0.00 54.13 54.47 1p9j s LEU 17 Cb -0.14 -3.00 0.08 0.00 0.02 0.00 0.00 46.19 43.15 1p9j s LEU 17 CO 0.08 -0.03 0.72 1.57 0.02 0.00 0.00 176.35 178.70 1p9j n HIS 18 N -0.91 -1.87 -2.90 0.29 -0.00 -1.26 -3.75 115.22 104.83 1p9j n HIS 18 Ca -0.07 0.81 -0.10 0.00 0.46 0.00 0.00 57.72 58.83 1p9j n HIS 18 Cb 0.55 -3.58 0.01 0.00 -0.12 0.00 0.00 29.99 26.85 1p9j n HIS 18 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1p9j n ASP 19 N -2.84 -7.75 -4.86 0.26 8.00 -1.26 -4.97 116.55 103.14 1p9j n ASP 19 Ca -0.08 0.56 -0.31 0.00 0.71 0.00 0.00 54.79 55.67 1p9j n ASP 19 Cb 0.58 -5.03 -0.03 0.00 -0.02 0.00 0.00 41.12 36.61 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 -2.40 1.99 -0.96 0.44 0.00 -1.25 -4.97 107.32 100.18 1p9j s GLY 20 Ca 0.24 0.02 -0.21 0.00 0.00 0.00 0.00 44.72 44.77 1p9j s GLY 20 CO 0.77 0.26 1.25 0.14 0.00 0.00 0.00 173.10 175.53 1p9j s VAL 21 N -2.56 4.39 0.02 1.40 1.01 -0.78 -4.93 120.40 118.95 1p9j s VAL 21 Ca 0.56 -1.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 1p9j s VAL 21 Cb -0.10 -4.89 -0.04 0.00 0.00 0.00 0.00 36.38 31.34 1p9j s VAL 21 CO 0.32 -1.68 0.23 0.00 0.00 0.00 0.00 175.10 173.97 1p9j s MET 23 N -2.06 0.26 -0.25 0.00 0.23 -0.14 -2.42 119.30 114.91 1p9j s MET 23 Ca 0.30 0.10 -0.12 0.00 -1.03 0.00 0.00 55.69 54.94 1p9j s MET 23 Cb -0.13 -0.93 -0.05 0.00 -1.53 0.00 0.00 34.83 32.20 1p9j s MET 23 CO 0.20 -0.79 0.21 -0.47 -2.03 0.00 0.00 175.02 172.14 1p9j s TYR 24 N 2.36 3.28 -0.41 3.16 6.14 -1.26 -1.48 117.35 129.13 1p9j s TYR 24 Ca 0.09 0.24 -0.05 0.00 0.64 0.00 0.00 57.07 57.98 1p9j s TYR 24 Cb -0.15 -2.36 0.10 0.00 0.42 0.00 0.00 41.96 39.96 1p9j s TYR 24 CO -0.21 -0.06 0.22 0.42 0.64 0.00 0.00 175.55 176.57 1p9j s ILE 25 N 1.45 3.62 0.33 3.14 -1.09 -0.83 -4.64 121.20 123.18 1p9j s ILE 25 Ca 0.09 -1.81 0.23 0.00 -2.23 0.00 0.00 60.65 56.93 1p9j s ILE 25 Cb -0.15 -3.37 0.22 0.00 -1.58 0.00 0.00 42.46 37.58 1p9j s ILE 25 CO 0.08 -0.62 1.94 -0.33 -1.23 0.00 0.00 174.94 174.78 1p9j h GLU 26 N 8.19 0.00 -0.44 2.79 5.08 -1.96 0.08 114.58 128.33 1p9j h GLU 26 Ca -0.17 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1p9j h GLU 26 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1p9j h GLU 26 CO 0.73 0.22 0.27 0.00 -1.00 0.00 0.00 179.01 179.22 1p9j h ALA 27 N 1.78 0.56 0.00 3.43 0.00 -1.92 -3.20 119.26 119.91 1p9j h ALA 27 Ca -0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1p9j h ALA 27 Cb 0.54 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1p9j h ALA 27 CO 0.03 0.05 -1.21 -0.07 0.00 0.00 0.00 179.25 178.04 1p9j h LEU 28 N 0.59 0.00 -0.10 0.00 3.38 -1.78 -3.40 115.31 113.99 1p9j h LEU 28 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1p9j h LEU 28 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1p9j h LEU 28 CO -0.03 0.36 0.00 -0.67 0.09 0.00 0.00 178.44 178.19 1p9j n ASP 29 N -2.83 -1.05 -3.53 -0.43 2.03 -0.00 -5.06 116.55 105.68 1p9j n ASP 29 Ca -0.06 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.08 1p9j n ASP 29 Cb 0.73 -0.47 -0.08 0.00 -0.72 0.00 0.00 41.12 40.57 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 -3.94 1.65 0.16 -0.67 0.00 -1.19 -5.02 119.74 110.73 1p9j s LYS 30 Ca 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 55.97 54.02 1p9j s LYS 30 Cb 0.00 0.32 -0.03 0.00 0.00 0.00 0.00 37.83 38.12 1p9j s LYS 30 CO 0.00 -0.60 0.15 1.52 0.00 0.00 0.00 175.35 176.42 1p9j s TYR 31 N -3.58 0.80 0.05 1.78 1.13 -1.26 -1.95 117.35 114.32 1p9j s TYR 31 Ca 0.40 -1.13 0.01 0.00 -1.41 0.00 0.00 57.07 54.94 1p9j s TYR 31 Cb 0.03 -0.36 -0.03 0.00 -1.10 0.00 0.00 41.96 40.50 1p9j s TYR 31 CO 0.24 -0.62 -0.06 0.00 -2.51 0.00 0.00 175.55 172.59 1p9j s ALA 32 N -4.05 0.61 -0.19 9.51 0.00 -0.55 -5.00 121.76 122.08 1p9j s ALA 32 Ca 0.26 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1p9j s ALA 32 Cb 0.06 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.32 1p9j s ALA 32 CO 0.04 -0.13 -0.15 0.00 0.00 0.00 0.00 175.76 175.52 1p9j s ASN 34 N 1.33 5.22 0.29 0.00 0.01 0.69 -4.92 114.94 117.56 1p9j s ASN 34 Ca 0.01 -0.15 -0.02 0.00 -0.71 0.00 0.00 52.86 51.99 1p9j s ASN 34 Cb -0.15 -0.69 -0.02 0.00 0.41 0.00 0.00 41.25 40.80 1p9j s ASN 34 CO -0.10 -1.18 0.35 0.00 -1.51 0.00 0.00 177.10 174.67 1p9j s VAL 36 N -3.57 3.63 0.06 0.00 1.01 -1.26 -4.98 120.40 115.30 1p9j s VAL 36 Ca 0.33 0.88 -0.31 0.00 0.00 0.00 0.00 61.98 62.89 1p9j s VAL 36 Cb 0.02 -3.36 -0.08 0.00 0.00 0.00 0.00 36.38 32.96 1p9j s VAL 36 CO 0.18 -0.35 1.66 0.54 0.00 0.00 0.00 175.10 177.12 1p9j s VAL 37 N -2.19 3.05 -0.42 2.92 0.11 -1.26 -2.75 120.40 119.86 1p9j s VAL 37 Ca 0.67 0.49 -0.01 0.00 -2.93 0.00 0.00 61.98 60.20 1p9j s VAL 37 Cb -0.18 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 1p9j s VAL 37 CO 0.31 -0.00 0.09 0.61 -3.33 0.00 0.00 175.10 172.77 1p9j n GLY 38 N 4.01 0.27 3.05 6.54 0.00 -1.26 -4.98 105.19 112.82 1p9j n GLY 38 Ca 0.16 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.50 1.77 0.31 1.61 1.51 -1.11 -0.62 117.35 118.31 1p9j s TYR 39 Ca 0.04 -0.75 0.03 0.00 -1.01 0.00 0.00 57.07 55.38 1p9j s TYR 39 Cb -0.02 -1.28 -0.06 0.00 -0.11 0.00 0.00 41.96 40.49 1p9j s TYR 39 CO 0.05 -0.39 0.07 0.96 -1.11 0.00 0.00 175.55 175.13 1p9j s ILE 40 N 0.83 1.03 0.00 2.71 -4.36 0.23 -4.77 121.20 116.87 1p9j s ILE 40 Ca -0.11 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 1p9j s ILE 40 Cb -0.15 -2.75 0.00 0.00 1.25 0.00 0.00 42.46 40.81 1p9j s ILE 40 CO 0.01 -0.01 0.00 0.61 0.24 0.00 0.00 174.94 175.80 1p9j n GLY 41 N -0.62 0.53 0.22 6.27 0.00 -1.26 -1.37 105.19 108.94 1p9j n GLY 41 Ca -0.02 -1.87 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 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 0.23 -0.40 1.61 3.07 -2.01 -0.93 114.58 116.14 1p9j h GLU 42 Ca 0.00 -0.01 -0.23 0.00 -0.50 0.00 0.00 59.36 58.61 1p9j h GLU 42 Cb 0.00 -0.05 -0.14 0.00 -0.84 0.00 0.00 28.75 27.72 1p9j h GLU 42 CO 0.00 0.15 -0.13 2.89 -1.40 0.00 0.00 179.01 180.52 1p9j n ARG 43 N -5.14 2.01 -3.94 2.33 1.85 -1.26 -4.98 116.66 107.54 1p9j n ARG 43 Ca 0.07 -3.30 -0.30 0.00 -1.00 0.00 0.00 57.85 53.32 1p9j n ARG 43 Cb 0.29 -1.87 0.02 0.00 -1.05 0.00 0.00 32.46 29.85 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 -2.01 0.29 -7.07 0.00 3.07 -1.64 -3.38 115.11 104.38 1p9j h GLN 45 Ca -0.58 -0.49 -0.49 0.00 0.09 0.00 0.00 58.65 57.17 1p9j h GLN 45 Cb 1.38 0.18 0.05 0.00 0.08 0.00 0.00 27.48 29.16 1p9j h GLN 45 CO 0.68 1.16 0.19 0.71 0.09 0.00 0.00 178.83 181.65 1p9j s TYR 46 N -2.60 3.49 -0.11 0.06 2.02 -0.47 -4.82 117.35 114.91 1p9j s TYR 46 Ca -0.12 0.85 -0.03 0.00 -0.37 0.00 0.00 57.07 57.41 1p9j s TYR 46 Cb 0.06 -2.50 -0.03 0.00 -0.40 0.00 0.00 41.96 39.09 1p9j s TYR 46 CO 0.85 -0.51 0.01 -0.98 -1.57 0.00 0.00 175.55 173.34 1p9j s ARG 47 N -4.90 3.20 -0.42 -0.62 1.70 -1.26 -0.60 118.95 116.05 1p9j s ARG 47 Ca 0.51 -0.41 -0.10 0.00 -0.47 0.00 0.00 55.73 55.25 1p9j s ARG 47 Cb -0.10 -2.86 0.07 0.00 -0.57 0.00 0.00 34.95 31.48 1p9j s ARG 47 CO 0.47 0.59 0.27 0.34 -1.08 0.00 0.00 175.30 175.88 1p9j s ASP 48 N -0.57 5.73 0.00 -2.89 2.15 0.20 -4.91 116.67 116.39 1p9j s ASP 48 Ca 0.10 -1.37 0.18 0.00 0.43 0.00 0.00 52.55 51.89 1p9j s ASP 48 Cb -0.12 -2.02 0.61 0.00 -0.30 0.00 0.00 42.92 41.09 1p9j s ASP 48 CO 0.02 -0.52 1.45 -0.11 -0.17 0.00 0.00 175.17 175.85 1p9j n LEU 49 N 4.98 1.73 0.06 -1.34 7.94 -1.26 -4.37 117.00 124.74 1p9j n LEU 49 Ca -0.11 -0.77 -0.14 0.00 -1.11 0.00 0.00 56.01 53.88 1p9j n LEU 49 Cb 0.44 -0.15 -0.04 0.00 0.53 0.00 0.00 43.42 44.20 1p9j n LEU 49 CO 0.40 0.39 0.20 0.11 -1.11 0.00 0.00 177.39 177.38 1p9j h LYS 50 N 2.15 0.45 0.00 1.96 1.79 -1.94 -3.30 116.57 117.67 1p9j h LYS 50 Ca 0.00 -0.46 -0.19 0.00 -2.18 0.00 0.00 60.65 57.82 1p9j h LYS 50 Cb 0.48 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.23 1p9j h LYS 50 CO 0.00 1.11 -0.91 0.11 -1.08 0.00 0.00 179.45 178.68 1p9j h TRP 51 N 0.26 0.00 -0.45 -1.35 5.08 -1.97 -3.23 115.95 114.30 1p9j h TRP 51 Ca -0.08 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.87 1p9j h TRP 51 Cb 1.54 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.68 1p9j h TRP 51 CO 0.06 0.91 0.17 -1.49 -1.28 0.00 0.00 178.44 176.82 1p9j h TRP 52 N 0.00 0.69 -1.31 0.12 4.06 -1.87 -3.29 115.95 114.35 1p9j h TRP 52 Ca -0.01 -0.06 -0.75 0.00 2.06 0.00 0.00 58.89 60.14 1p9j h TRP 52 Cb 1.64 -0.20 -0.15 0.00 -1.00 0.00 0.00 29.16 29.45 1p9j h TRP 52 CO 0.00 0.60 2.18 -1.91 -3.56 0.00 0.00 178.44 175.75 1p9j n GLU 53 N -4.59 4.68 0.00 0.49 2.13 -1.22 -5.21 120.64 116.92 1p9j n GLU 53 Ca 0.01 -3.61 0.00 0.00 0.66 0.00 0.00 57.16 54.21 1p9j n GLU 53 Cb 0.16 -2.60 0.00 0.00 0.27 0.00 0.00 31.44 29.27 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61