#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 4.92 -0.18 3.34 1.01 -1.26 -4.59 120.40 123.64 1p9j s VAL 2 Ca 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 1p9j s VAL 2 Cb 0.00 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 1p9j s VAL 2 CO 0.00 -0.39 -0.20 -1.54 0.00 0.00 0.00 175.10 172.98 1p9j n SER 3 N 6.00 2.07 -4.37 3.32 3.41 -1.26 -5.03 113.62 117.77 1p9j n SER 3 Ca -0.03 0.04 -0.19 0.00 -0.26 0.00 0.00 58.87 58.43 1p9j n SER 3 Cb 0.48 -0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 63.93 1p9j n SER 3 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1p9j s HIS 4 N -2.35 1.80 -0.06 7.33 0.09 -1.26 -5.14 115.29 115.70 1p9j s HIS 4 Ca -0.25 -0.58 -0.16 0.00 -0.00 0.00 0.00 55.06 54.07 1p9j s HIS 4 Cb 0.08 -0.87 -0.05 0.00 -0.00 0.00 0.00 32.58 31.74 1p9j s HIS 4 CO 0.38 0.37 0.41 0.12 -0.00 0.00 0.00 174.74 176.02 1p9j s PHE 5 N -2.95 3.63 0.03 1.40 2.19 -1.26 -5.02 117.98 116.00 1p9j s PHE 5 Ca 0.24 0.91 0.05 0.00 0.33 0.00 0.00 56.93 58.47 1p9j s PHE 5 Cb -0.00 -2.38 -0.02 0.00 -1.31 0.00 0.00 43.02 39.31 1p9j s PHE 5 CO 0.08 0.44 -0.16 -0.80 1.83 0.00 0.00 175.22 176.62 1p9j s ASN 6 N -0.34 1.89 0.49 6.13 0.02 -1.26 -5.11 114.94 116.76 1p9j s ASN 6 Ca 0.23 -0.43 0.05 0.00 -1.02 0.00 0.00 52.86 51.69 1p9j s ASN 6 Cb -0.16 -0.15 0.08 0.00 0.02 0.00 0.00 41.25 41.04 1p9j s ASN 6 CO 0.11 0.10 0.63 0.47 0.02 0.00 0.00 177.10 178.43 1p9j n ASP 7 N 2.07 1.38 -4.94 -1.22 8.00 -1.26 -3.86 116.55 116.73 1p9j n ASP 7 Ca -0.17 -2.04 -0.24 0.00 0.71 0.00 0.00 54.79 53.05 1p9j n ASP 7 Cb 0.54 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1p9j n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p9j s PRO 9 N -4.51 2.92 0.48 0.00 0.04 -1.26 -4.92 135.00 127.75 1p9j s PRO 9 Ca 0.46 0.68 0.32 0.00 0.04 0.00 0.00 61.00 62.50 1p9j s PRO 9 Cb -0.10 -2.01 1.37 0.00 0.04 0.00 0.00 34.50 33.80 1p9j s PRO 9 CO 0.38 -1.04 1.94 1.37 0.04 0.00 0.00 177.00 179.69 1p9j h LEU 10 N -0.67 0.00 -9.68 -3.56 8.10 -2.00 -3.46 115.31 104.04 1p9j h LEU 10 Ca -0.45 0.00 -0.54 0.00 0.11 0.00 0.00 57.88 57.00 1p9j h LEU 10 Cb 1.23 0.00 0.22 0.00 -0.44 0.00 0.00 40.66 41.67 1p9j h LEU 10 CO 0.61 0.00 -0.71 -1.20 -4.11 0.00 0.00 178.44 173.03 1p9j n SER 11 N -2.83 -2.48 0.00 0.17 7.64 -1.26 -3.76 113.62 111.10 1p9j n SER 11 Ca 0.01 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1p9j n SER 11 Cb 0.25 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1p9j n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p9j n HIS 12 N -3.35 0.00 -2.79 1.43 1.44 -1.26 -4.95 115.22 105.74 1p9j n HIS 12 Ca 0.06 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.51 1p9j n HIS 12 Cb 0.53 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.65 1p9j n HIS 12 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1p9j s ASP 13 N 0.00 6.03 0.00 4.39 2.15 -1.25 -4.94 116.67 123.06 1p9j s ASP 13 Ca 0.00 0.66 0.00 0.00 0.43 0.00 0.00 52.55 53.64 1p9j s ASP 13 Cb 0.00 -1.94 0.00 0.00 -0.30 0.00 0.00 42.92 40.68 1p9j s ASP 13 CO 0.00 -0.66 0.00 0.61 -0.17 0.00 0.00 175.17 174.95 1p9j n GLY 14 N -2.21 0.18 0.10 2.66 0.00 -1.26 -4.99 105.19 99.67 1p9j n GLY 14 Ca 0.01 -0.00 -0.14 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 0.20 -3.11 1.61 3.20 -1.97 -3.44 116.97 113.46 1p9j h TYR 15 Ca 0.00 -0.15 -0.63 0.00 3.14 0.00 0.00 58.73 61.09 1p9j h TYR 15 Cb 0.00 -0.01 -0.14 0.00 1.54 0.00 0.00 36.73 38.12 1p9j h TYR 15 CO 0.00 1.32 0.45 0.00 -1.64 0.00 0.00 178.16 178.28 1p9j s LEU 17 N 3.68 3.67 -1.14 0.00 1.02 -1.26 -4.49 118.68 120.16 1p9j s LEU 17 Ca 0.25 0.50 -0.23 0.00 0.02 0.00 0.00 54.13 54.67 1p9j s LEU 17 Cb -0.15 -3.38 0.00 0.00 0.02 0.00 0.00 46.19 42.68 1p9j s LEU 17 CO 0.16 -0.63 0.77 1.57 0.02 0.00 0.00 176.35 178.23 1p9j n HIS 18 N -2.11 -1.82 -3.19 0.29 -0.00 -1.26 -3.58 115.22 103.54 1p9j n HIS 18 Ca 0.00 0.39 -0.14 0.00 -0.00 0.00 0.00 57.72 57.97 1p9j n HIS 18 Cb 0.57 -3.29 0.07 0.00 -0.00 0.00 0.00 29.99 27.35 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 -2.54 -2.05 -4.78 0.26 2.03 -1.26 -4.97 116.55 103.24 1p9j n ASP 19 Ca -0.10 -0.52 -0.33 0.00 0.52 0.00 0.00 54.79 54.37 1p9j n ASP 19 Cb 0.59 -4.35 0.04 0.00 -0.72 0.00 0.00 41.12 36.67 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 -4.13 2.11 -1.18 0.27 0.00 -1.24 -4.92 107.32 98.23 1p9j s GLY 20 Ca 0.00 0.46 -0.17 0.00 0.00 0.00 0.00 44.72 45.02 1p9j s GLY 20 CO 0.61 0.80 1.49 0.14 0.00 0.00 0.00 173.10 176.14 1p9j s VAL 21 N -2.43 4.58 -0.27 1.40 1.01 -0.34 -4.88 120.40 119.47 1p9j s VAL 21 Ca 0.65 -2.06 -0.14 0.00 0.00 0.00 0.00 61.98 60.44 1p9j s VAL 21 Cb -0.19 -5.00 -0.04 0.00 0.00 0.00 0.00 36.38 31.15 1p9j s VAL 21 CO 0.41 -1.77 0.31 0.00 0.00 0.00 0.00 175.10 174.05 1p9j s MET 23 N 1.92 1.00 -0.21 0.00 0.23 0.13 -2.02 119.30 120.35 1p9j s MET 23 Ca 0.13 -0.70 -0.03 0.00 -1.03 0.00 0.00 55.69 54.06 1p9j s MET 23 Cb -0.16 -1.00 0.06 0.00 -1.53 0.00 0.00 34.83 32.20 1p9j s MET 23 CO 0.10 0.26 0.04 -0.47 -2.03 0.00 0.00 175.02 172.91 1p9j s TYR 24 N -0.71 1.13 -0.39 3.16 5.04 -1.21 -1.78 117.35 122.59 1p9j s TYR 24 Ca 0.03 -0.96 -0.11 0.00 -2.44 0.00 0.00 57.07 53.58 1p9j s TYR 24 Cb -0.07 -1.10 0.04 0.00 0.35 0.00 0.00 41.96 41.18 1p9j s TYR 24 CO 0.01 -0.64 0.23 -1.50 -1.34 0.00 0.00 175.55 172.30 1p9j s ILE 25 N 1.82 4.59 0.40 3.14 2.07 -1.23 -4.26 121.20 127.73 1p9j s ILE 25 Ca -0.00 -0.93 0.21 0.00 -1.41 0.00 0.00 60.65 58.51 1p9j s ILE 25 Cb -0.17 -3.61 0.22 0.00 0.13 0.00 0.00 42.46 39.03 1p9j s ILE 25 CO -0.09 -0.29 1.99 -0.08 -1.91 0.00 0.00 174.94 174.55 1p9j h GLU 26 N 8.46 0.00 -0.71 3.50 4.81 -1.94 0.24 114.58 128.94 1p9j h GLU 26 Ca -0.25 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.03 1p9j h GLU 26 Cb 1.10 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 1p9j h GLU 26 CO 0.69 0.19 0.42 0.00 -0.73 0.00 0.00 179.01 179.58 1p9j h ALA 27 N 1.81 0.95 0.00 2.92 0.00 -1.93 -3.11 119.26 119.89 1p9j h ALA 27 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1p9j h ALA 27 Cb 0.42 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1p9j h ALA 27 CO 0.03 0.14 -1.35 -0.07 0.00 0.00 0.00 179.25 177.99 1p9j h LEU 28 N 0.79 0.00 0.00 0.00 3.38 -1.61 -3.41 115.31 114.46 1p9j h LEU 28 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1p9j h LEU 28 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1p9j h LEU 28 CO -0.16 0.54 0.00 -0.67 0.09 0.00 0.00 178.44 178.24 1p9j n ASP 29 N -2.89 -2.60 -4.56 -0.43 2.03 -0.00 -5.01 116.55 103.09 1p9j n ASP 29 Ca -0.09 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.97 1p9j n ASP 29 Cb 0.82 -0.59 -0.10 0.00 -0.72 0.00 0.00 41.12 40.53 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 -0.11 1.86 0.36 -0.67 -0.14 -1.25 -5.00 119.74 114.79 1p9j s LYS 30 Ca 0.00 -1.92 0.09 0.00 -1.36 0.00 0.00 55.97 52.78 1p9j s LYS 30 Cb 0.00 -1.73 -0.07 0.00 -1.68 0.00 0.00 37.83 34.35 1p9j s LYS 30 CO 0.00 0.13 -0.07 0.71 -0.76 0.00 0.00 175.35 175.35 1p9j s TYR 31 N -2.60 2.43 0.00 3.18 2.02 -1.26 -3.51 117.35 117.61 1p9j s TYR 31 Ca 0.33 -0.53 -0.29 0.00 -0.37 0.00 0.00 57.07 56.21 1p9j s TYR 31 Cb 0.03 -1.46 0.08 0.00 -0.40 0.00 0.00 41.96 40.20 1p9j s TYR 31 CO 0.17 0.56 0.69 0.00 -1.57 0.00 0.00 175.55 175.40 1p9j s ALA 32 N -2.63 -1.74 -0.16 3.71 0.00 -0.73 -5.01 121.76 115.19 1p9j s ALA 32 Ca 0.33 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1p9j s ALA 32 Cb 0.04 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.41 1p9j s ALA 32 CO 0.17 -0.49 -0.12 0.00 0.00 0.00 0.00 175.76 175.32 1p9j s ASN 34 N 1.48 6.00 0.40 0.00 2.47 -0.61 -4.87 114.94 119.81 1p9j s ASN 34 Ca 0.03 0.15 0.08 0.00 0.42 0.00 0.00 52.86 53.53 1p9j s ASN 34 Cb -0.14 -1.75 -0.01 0.00 -1.45 0.00 0.00 41.25 37.90 1p9j s ASN 34 CO -0.10 0.17 0.46 0.00 -3.72 0.00 0.00 177.10 173.91 1p9j s VAL 36 N -2.38 4.43 0.12 0.00 1.01 -1.26 -4.97 120.40 117.35 1p9j s VAL 36 Ca 0.50 0.24 -0.31 0.00 0.00 0.00 0.00 61.98 62.42 1p9j s VAL 36 Cb -0.07 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1p9j s VAL 36 CO 0.30 -0.76 1.28 0.54 0.00 0.00 0.00 175.10 176.46 1p9j s VAL 37 N -2.91 3.57 0.00 2.92 0.11 -1.26 -3.31 120.40 119.53 1p9j s VAL 37 Ca 0.51 1.18 0.00 0.00 -2.93 0.00 0.00 61.98 60.74 1p9j s VAL 37 Cb -0.10 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 30.99 1p9j s VAL 37 CO 0.47 0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.97 1p9j n GLY 38 N 2.99 0.70 3.10 6.54 0.00 -1.26 -5.04 105.19 112.21 1p9j n GLY 38 Ca 0.08 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 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 1.98 0.17 1.61 1.51 -1.21 -0.93 117.35 118.49 1p9j s TYR 39 Ca 0.00 -0.84 0.02 0.00 -1.01 0.00 0.00 57.07 55.24 1p9j s TYR 39 Cb 0.00 -1.39 -0.01 0.00 -0.11 0.00 0.00 41.96 40.45 1p9j s TYR 39 CO 0.00 -0.39 0.07 0.44 -1.11 0.00 0.00 175.55 174.56 1p9j n ILE 40 N 3.86 0.00 0.00 2.71 -5.35 0.21 -4.88 119.36 115.91 1p9j n ILE 40 Ca -0.20 -1.04 0.00 0.00 -0.27 0.00 0.00 62.75 61.24 1p9j n ILE 40 Cb 0.52 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 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 0.86 1.21 0.13 3.28 0.00 -1.26 -0.60 105.19 108.81 1p9j n GLY 41 Ca -0.02 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.10 -0.82 1.61 4.81 -1.99 -2.03 114.58 116.05 1p9j h GLU 42 Ca 0.00 0.01 -0.59 0.00 -0.13 0.00 0.00 59.36 58.65 1p9j h GLU 42 Cb 0.00 0.02 -0.39 0.00 0.63 0.00 0.00 28.75 29.01 1p9j h GLU 42 CO 0.00 -0.07 -0.34 2.89 -0.73 0.00 0.00 179.01 180.76 1p9j n ARG 43 N -5.22 3.36 -3.78 1.92 1.85 -1.26 -4.97 116.66 108.57 1p9j n ARG 43 Ca -0.04 -3.92 -0.27 0.00 -1.00 0.00 0.00 57.85 52.62 1p9j n ARG 43 Cb 0.14 -2.28 0.04 0.00 -1.05 0.00 0.00 32.46 29.31 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 -4.69 1.49 -4.03 0.00 10.64 -1.05 -4.71 117.38 115.04 1p9j n GLN 45 Ca -0.03 -1.57 -0.22 0.00 -1.83 0.00 0.00 57.00 53.35 1p9j n GLN 45 Cb 0.56 -1.34 -0.05 0.00 -0.86 0.00 0.00 30.24 28.55 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 -1.48 2.92 -0.02 2.61 2.02 0.23 -4.97 117.35 118.66 1p9j s TYR 46 Ca 0.21 -0.23 0.07 0.00 -0.37 0.00 0.00 57.07 56.75 1p9j s TYR 46 Cb 0.15 -1.55 -0.02 0.00 -0.40 0.00 0.00 41.96 40.13 1p9j s TYR 46 CO 0.22 0.38 -0.24 -0.98 -1.57 0.00 0.00 175.55 173.37 1p9j s ARG 47 N -3.88 2.17 -0.41 -0.62 1.70 -1.26 -0.62 118.95 116.03 1p9j s ARG 47 Ca 0.36 -0.89 -0.17 0.00 -0.47 0.00 0.00 55.73 54.56 1p9j s ARG 47 Cb -0.06 -2.10 0.02 0.00 -0.57 0.00 0.00 34.95 32.24 1p9j s ARG 47 CO 0.25 0.57 0.43 0.34 -1.08 0.00 0.00 175.30 175.81 1p9j s ASP 48 N -0.64 6.20 0.00 -2.89 -1.08 -0.10 -4.85 116.67 113.30 1p9j s ASP 48 Ca 0.10 -0.57 0.26 0.00 -0.52 0.00 0.00 52.55 51.82 1p9j s ASP 48 Cb -0.10 -2.22 0.70 0.00 -1.46 0.00 0.00 42.92 39.84 1p9j s ASP 48 CO -0.01 -0.54 1.53 0.18 0.52 0.00 0.00 175.17 176.85 1p9j n LEU 49 N 5.58 1.04 0.26 -1.34 7.99 -1.26 -3.91 117.00 125.36 1p9j n LEU 49 Ca -0.07 -0.27 0.15 0.00 -0.01 0.00 0.00 56.01 55.81 1p9j n LEU 49 Cb 0.48 -0.12 0.55 0.00 -0.11 0.00 0.00 43.42 44.21 1p9j n LEU 49 CO 0.45 0.20 0.93 0.11 -1.51 0.00 0.00 177.39 177.57 1p9j h LYS 50 N 1.19 0.00 0.01 3.23 6.56 -1.92 -2.47 116.57 123.17 1p9j h LYS 50 Ca 0.00 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.39 1p9j h LYS 50 Cb 0.52 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.15 1p9j h LYS 50 CO 0.00 0.02 -0.92 2.35 -2.06 0.00 0.00 179.45 178.84 1p9j h TRP 51 N 0.00 0.07 0.07 -1.35 7.01 -1.98 -3.19 115.95 116.58 1p9j h TRP 51 Ca -0.00 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 60.95 1p9j h TRP 51 Cb 0.65 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.70 1p9j h TRP 51 CO 0.00 0.94 -0.03 -1.49 -2.79 0.00 0.00 178.44 175.07 1p9j h TRP 52 N 0.02 -0.09 -2.51 2.65 4.06 -1.68 -3.35 115.95 115.06 1p9j h TRP 52 Ca -0.02 -0.00 -0.78 0.00 2.06 0.00 0.00 58.89 60.15 1p9j h TRP 52 Cb 1.61 0.03 -0.30 0.00 -1.00 0.00 0.00 29.16 29.51 1p9j h TRP 52 CO 0.01 0.48 0.71 0.39 -3.56 0.00 0.00 178.44 176.47 1p9j n GLU 53 N -4.80 4.73 0.00 0.49 1.02 -0.97 -5.16 120.64 115.95 1p9j n GLU 53 Ca -0.08 -4.64 0.13 0.00 -0.02 0.00 0.00 57.16 52.55 1p9j n GLU 53 Cb 0.30 -2.45 0.22 0.00 -0.02 0.00 0.00 31.44 29.48 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20