#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ds2 s ASP 7 N 0.00 4.48 -0.38 4.52 2.15 -1.26 -5.00 116.67 121.19 1ds2 s ASP 7 Ca 0.00 -0.24 0.07 0.00 0.43 0.00 0.00 52.55 52.80 1ds2 s ASP 7 Cb 0.00 -1.73 0.65 0.00 -0.30 0.00 0.00 42.92 41.54 1ds2 s ASP 7 CO 0.00 0.12 1.77 0.00 -0.17 0.00 0.00 175.17 176.89 1ds2 h SER 9 N 1.41 1.00 -0.10 0.00 0.02 -1.98 -2.84 113.55 111.07 1ds2 h SER 9 Ca 0.44 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1ds2 h SER 9 Cb 2.43 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 64.70 1ds2 h SER 9 CO 0.83 0.96 0.02 -0.62 -1.14 0.00 0.00 176.83 176.88 1ds2 n GLU 10 N -4.24 1.50 -4.26 3.45 1.02 -1.26 -4.83 120.64 112.01 1ds2 n GLU 10 Ca 0.05 -0.46 -0.23 0.00 -0.02 0.00 0.00 57.16 56.50 1ds2 n GLU 10 Cb 0.25 -1.53 -0.07 0.00 -0.02 0.00 0.00 31.44 30.06 1ds2 n GLU 10 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1ds2 s TYR 11 N -1.12 2.69 0.70 -0.32 1.51 -1.08 -4.56 117.35 115.18 1ds2 s TYR 11 Ca 0.08 -0.27 -0.10 0.00 -1.01 0.00 0.00 57.07 55.77 1ds2 s TYR 11 Cb 0.06 -1.30 0.03 0.00 -0.11 0.00 0.00 41.96 40.64 1ds2 s TYR 11 CO 0.02 0.56 1.07 -1.25 -1.11 0.00 0.00 175.55 174.84 1ds2 s PRO 12 N -3.71 2.63 -0.04 -1.71 0.04 -1.26 -5.06 135.00 125.89 1ds2 s PRO 12 Ca 0.33 0.23 0.06 0.00 0.04 0.00 0.00 61.00 61.66 1ds2 s PRO 12 Cb -0.05 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1ds2 s PRO 12 CO 0.20 -1.10 -0.22 0.15 0.04 0.00 0.00 177.00 176.07 1ds2 s LYS 13 N -5.32 2.06 0.62 4.56 1.02 -1.26 -5.03 119.74 116.39 1ds2 s LYS 13 Ca 0.58 -0.80 0.39 0.00 0.02 0.00 0.00 55.97 56.17 1ds2 s LYS 13 Cb -0.11 -1.85 2.04 0.00 -0.52 0.00 0.00 37.83 37.38 1ds2 s LYS 13 CO 0.49 0.40 2.24 -1.00 -0.92 0.00 0.00 175.35 176.56 1ds2 h PRO 14 N 5.89 0.00 -3.40 -1.68 0.13 -2.02 -3.45 132.00 127.47 1ds2 h PRO 14 Ca -0.36 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.72 1ds2 h PRO 14 Cb 1.16 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 1ds2 h PRO 14 CO 0.47 0.01 -0.06 0.00 -0.23 0.00 0.00 178.00 178.19 1ds2 s ALA 15 N -4.06 -0.88 0.06 -0.56 0.00 -1.26 -5.17 121.76 109.89 1ds2 s ALA 15 Ca -0.03 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 51.83 1ds2 s ALA 15 Cb 0.12 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 1ds2 s ALA 15 CO 0.47 -0.68 -0.11 0.00 0.00 0.00 0.00 175.76 175.44 1ds2 n THR 17 N 1.31 0.00 0.00 0.00 -2.24 -1.26 -5.09 114.28 107.00 1ds2 n THR 17 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1ds2 n THR 17 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1ds2 n THR 17 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1ds2 n GLU 19 N 0.00 0.00 -3.61 -0.78 0.00 -1.26 -4.93 120.64 110.05 1ds2 n GLU 19 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.76 1ds2 n GLU 19 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.33 1ds2 n GLU 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1ds2 s TYR 20 N -2.71 3.22 -0.46 -1.84 5.04 -1.26 -4.51 117.35 114.83 1ds2 s TYR 20 Ca 0.00 -0.82 0.05 0.00 -2.44 0.00 0.00 57.07 53.87 1ds2 s TYR 20 Cb 0.00 -2.41 0.18 0.00 0.35 0.00 0.00 41.96 40.07 1ds2 s TYR 20 CO 0.00 -0.58 0.52 1.03 -1.34 0.00 0.00 175.55 175.18 1ds2 s ARG 21 N 1.58 0.96 0.56 4.97 0.52 0.66 -5.03 118.95 123.17 1ds2 s ARG 21 Ca 0.03 -1.51 -0.21 0.00 -0.52 0.00 0.00 55.73 53.52 1ds2 s ARG 21 Cb -0.18 -0.72 -0.04 0.00 0.52 0.00 0.00 34.95 34.53 1ds2 s ARG 21 CO 0.07 -1.34 1.36 -1.25 0.02 0.00 0.00 175.30 174.15 1ds2 s PRO 22 N 0.57 3.03 0.06 3.54 0.04 -1.19 -3.90 135.00 137.16 1ds2 s PRO 22 Ca 0.30 2.23 0.05 0.00 0.04 0.00 0.00 61.00 63.62 1ds2 s PRO 22 Cb 0.00 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1ds2 s PRO 22 CO -0.12 -1.27 -0.15 -0.51 0.04 0.00 0.00 177.00 175.00 1ds2 s LEU 23 N -3.66 2.25 -0.27 -3.56 1.43 -0.24 -1.05 118.68 113.58 1ds2 s LEU 23 Ca 0.73 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 53.20 1ds2 s LEU 23 Cb -0.41 -0.57 -0.00 0.00 0.03 0.00 0.00 46.19 45.25 1ds2 s LEU 23 CO 0.47 -0.04 0.05 0.00 0.23 0.00 0.00 176.35 177.06 1ds2 s GLY 25 N 1.52 1.60 0.00 0.00 0.00 -0.77 0.03 107.32 109.69 1ds2 s GLY 25 Ca 0.04 -0.56 0.10 0.00 0.00 0.00 0.00 44.72 44.30 1ds2 s GLY 25 CO 0.01 -0.27 1.24 -1.14 0.00 0.00 0.00 173.10 172.94 1ds2 n SER 26 N -2.64 0.00 -1.07 1.64 3.41 0.86 -1.06 113.62 114.76 1ds2 n SER 26 Ca 0.05 0.28 0.09 0.00 -0.26 0.00 0.00 58.87 59.02 1ds2 n SER 26 Cb 0.57 -0.37 0.25 0.00 -0.26 0.00 0.00 64.21 64.41 1ds2 n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ds2 n ASP 27 N -1.37 3.10 -0.73 4.04 5.68 -1.26 -4.90 116.55 121.11 1ds2 n ASP 27 Ca 0.04 -2.03 -0.09 0.00 -0.50 0.00 0.00 54.79 52.20 1ds2 n ASP 27 Cb 0.09 -0.39 -0.04 0.00 -1.14 0.00 0.00 41.12 39.64 1ds2 n ASP 27 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1ds2 n ASN 28 N 1.13 -5.01 -4.82 -1.12 3.02 -0.22 -4.98 115.26 103.25 1ds2 n ASN 28 Ca 0.19 0.23 -0.36 0.00 -0.03 0.00 0.00 54.58 54.61 1ds2 n ASN 28 Cb 0.50 -3.34 -0.07 0.00 -0.61 0.00 0.00 39.78 36.26 1ds2 n ASN 28 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ds2 s LYS 29 N -2.60 3.77 -0.24 3.52 2.20 -1.25 -4.88 119.74 120.25 1ds2 s LYS 29 Ca 0.00 -0.09 -0.27 0.00 -0.36 0.00 0.00 55.97 55.26 1ds2 s LYS 29 Cb 0.00 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 1ds2 s LYS 29 CO 0.00 0.59 0.92 0.99 -0.36 0.00 0.00 175.35 177.49 1ds2 s THR 30 N -0.51 4.75 -0.15 3.43 2.01 -1.26 -1.85 115.64 122.07 1ds2 s THR 30 Ca 0.14 1.74 -0.16 0.00 0.31 0.00 0.00 61.69 63.72 1ds2 s THR 30 Cb -0.12 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 1ds2 s THR 30 CO 0.03 -0.15 0.38 -0.31 -0.69 0.00 0.00 174.62 173.89 1ds2 s TYR 31 N 3.04 3.47 0.51 4.92 1.51 0.78 -4.94 117.35 126.64 1ds2 s TYR 31 Ca 0.39 0.72 0.21 0.00 -1.01 0.00 0.00 57.07 57.37 1ds2 s TYR 31 Cb -0.15 -2.45 1.29 0.00 -0.11 0.00 0.00 41.96 40.54 1ds2 s TYR 31 CO 0.07 0.18 2.03 0.78 -1.11 0.00 0.00 175.55 177.50 1ds2 h GLY 32 N 6.82 0.11 -1.84 0.71 0.00 -1.88 -0.61 103.07 106.38 1ds2 h GLY 32 Ca -0.40 -0.03 0.12 0.00 0.00 0.00 0.00 47.33 47.01 1ds2 h GLY 32 CO 0.75 0.02 0.42 0.54 0.00 0.00 0.00 176.54 178.27 1ds2 s ASN 33 N -6.45 -0.11 0.30 0.19 2.20 -1.25 -0.24 114.94 109.57 1ds2 s ASN 33 Ca -0.06 -0.66 -0.01 0.00 -0.94 0.00 0.00 52.86 51.20 1ds2 s ASN 33 Cb 0.19 0.61 0.47 0.00 -2.00 0.00 0.00 41.25 40.52 1ds2 s ASN 33 CO 0.72 -1.16 1.92 0.50 -2.94 0.00 0.00 177.10 176.13 1ds2 h LYS 34 N 2.00 0.91 -0.46 3.55 3.64 -1.89 -1.59 116.57 122.73 1ds2 h LYS 34 Ca -0.26 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 58.94 1ds2 h LYS 34 Cb 1.23 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1ds2 h LYS 34 CO 0.30 0.69 -0.03 0.00 -2.27 0.00 0.00 179.45 178.14 1ds2 h ASN 36 N 0.68 0.10 -0.21 0.00 -0.26 -1.87 -1.34 115.58 112.68 1ds2 h ASN 36 Ca 0.13 -0.12 0.03 0.00 -0.56 0.00 0.00 56.30 55.78 1ds2 h ASN 36 Cb 0.54 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.75 1ds2 h ASN 36 CO 0.03 0.19 0.04 0.15 -1.06 0.00 0.00 177.43 176.78 1ds2 h PHE 37 N 0.01 0.07 -0.25 1.19 3.57 -1.16 -2.08 116.94 118.28 1ds2 h PHE 37 Ca 0.03 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1ds2 h PHE 37 Cb 0.12 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1ds2 h PHE 37 CO -0.03 0.02 -0.09 0.00 -2.23 0.00 0.00 178.31 175.98 1ds2 h ASN 39 N 0.38 0.67 -0.33 0.00 2.35 -0.91 -2.51 115.58 115.23 1ds2 h ASN 39 Ca 0.08 -0.27 -0.10 0.00 -0.55 0.00 0.00 56.30 55.46 1ds2 h ASN 39 Cb 0.40 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1ds2 h ASN 39 CO 0.02 0.95 -0.12 0.00 -1.65 0.00 0.00 177.43 176.63 1ds2 h ALA 40 N 1.09 0.98 -0.76 -0.83 0.00 -0.95 -0.56 119.26 118.23 1ds2 h ALA 40 Ca 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1ds2 h ALA 40 Cb 0.84 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1ds2 h ALA 40 CO 0.07 0.60 0.43 0.28 0.00 0.00 0.00 179.25 180.64 1ds2 h VAL 41 N 0.70 1.22 -0.24 0.00 2.07 -1.03 0.01 116.25 118.98 1ds2 h VAL 41 Ca 0.12 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1ds2 h VAL 41 Cb 0.60 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1ds2 h VAL 41 CO 0.04 0.24 0.07 0.58 0.02 0.00 0.00 177.57 178.52 1ds2 h VAL 42 N 1.05 1.20 -0.04 2.57 2.07 -1.07 -0.67 116.25 121.35 1ds2 h VAL 42 Ca 0.27 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1ds2 h VAL 42 Cb 0.01 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1ds2 h VAL 42 CO -0.05 0.21 0.01 -0.08 0.02 0.00 0.00 177.57 177.68 1ds2 h GLU 43 N 0.21 0.06 -0.02 1.57 4.81 -0.71 0.10 114.58 120.60 1ds2 h GLU 43 Ca 0.07 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1ds2 h GLU 43 Cb 0.25 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1ds2 h GLU 43 CO -0.00 0.06 0.00 -1.13 -0.73 0.00 0.00 179.01 177.21 1ds2 n SER 44 N -4.51 0.55 -2.92 1.04 3.41 -0.05 -4.88 113.62 106.27 1ds2 n SER 44 Ca -0.02 -1.30 -0.21 0.00 -0.26 0.00 0.00 58.87 57.08 1ds2 n SER 44 Cb 0.11 -0.01 0.05 0.00 -0.26 0.00 0.00 64.21 64.09 1ds2 n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ds2 n ASN 45 N -0.51 -5.76 0.00 4.04 5.15 0.35 -2.73 115.26 115.80 1ds2 n ASN 45 Ca 0.19 -0.34 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 1ds2 n ASN 45 Cb 0.18 -4.51 0.00 0.00 -0.53 0.00 0.00 39.78 34.93 1ds2 n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ds2 n GLY 46 N -1.61 0.54 0.09 8.20 0.00 -0.30 -4.94 105.19 107.18 1ds2 n GLY 46 Ca -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1ds2 n GLY 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ds2 h THR 47 N 0.00 0.75 -3.70 2.61 1.35 -1.71 -3.46 112.91 108.76 1ds2 h THR 47 Ca 0.00 -2.32 -0.51 0.00 -0.55 0.00 0.00 66.41 63.03 1ds2 h THR 47 Cb 0.00 2.26 0.01 0.00 -1.73 0.00 0.00 68.15 68.68 1ds2 h THR 47 CO 0.00 0.43 0.46 -0.22 -0.25 0.00 0.00 175.52 175.93 1ds2 s LEU 48 N -6.04 4.54 0.24 3.87 2.96 -1.26 -5.04 118.68 117.95 1ds2 s LEU 48 Ca -0.02 2.14 0.03 0.00 -0.22 0.00 0.00 54.13 56.06 1ds2 s LEU 48 Cb 0.08 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 1ds2 s LEU 48 CO 0.81 -0.13 0.02 0.42 -1.32 0.00 0.00 176.35 176.15 1ds2 s THR 49 N -0.77 0.94 -0.08 3.68 -4.23 -1.26 -4.86 115.64 109.06 1ds2 s THR 49 Ca 0.46 -2.02 -0.27 0.00 -1.18 0.00 0.00 61.69 58.68 1ds2 s THR 49 Cb -0.30 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 1ds2 s THR 49 CO 0.37 -0.26 0.85 -0.22 -0.54 0.00 0.00 174.62 174.82 1ds2 s LEU 50 N -3.31 4.29 -0.19 4.79 2.96 -1.26 -0.10 118.68 125.86 1ds2 s LEU 50 Ca 0.30 1.36 -0.18 0.00 -0.22 0.00 0.00 54.13 55.39 1ds2 s LEU 50 Cb 0.06 -3.32 -0.15 0.00 0.50 0.00 0.00 46.19 43.29 1ds2 s LEU 50 CO 0.10 -0.27 0.11 -1.28 -1.32 0.00 0.00 176.35 173.68 1ds2 h SER 51 N 6.96 0.00 -5.17 3.68 0.87 -0.64 -3.45 113.55 115.80 1ds2 h SER 51 Ca -0.37 -0.37 0.17 0.00 -1.23 0.00 0.00 61.79 60.00 1ds2 h SER 51 Cb 1.18 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.04 1ds2 h SER 51 CO 0.79 1.27 0.51 -1.38 -0.53 0.00 0.00 176.83 177.49 1ds2 s HIS 52 N -2.32 -0.18 0.38 2.24 0.00 -1.00 -5.03 115.29 109.39 1ds2 s HIS 52 Ca -0.24 -0.07 -0.16 0.00 -3.00 0.00 0.00 55.06 51.59 1ds2 s HIS 52 Cb 0.05 0.61 -0.09 0.00 -4.00 0.00 0.00 32.58 29.14 1ds2 s HIS 52 CO 0.48 -0.71 0.82 -0.06 -1.00 0.00 0.00 174.74 174.26 1ds2 s PHE 53 N -3.18 3.38 0.00 0.38 0.08 -1.26 -0.45 117.98 116.93 1ds2 s PHE 53 Ca 0.11 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.47 1ds2 s PHE 53 Cb -0.01 -2.62 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 1ds2 s PHE 53 CO -0.01 -0.03 0.00 0.41 -0.10 0.00 0.00 175.22 175.49 1ds2 n GLY 54 N -0.69 0.07 3.77 4.36 0.00 -0.22 -4.75 105.19 107.74 1ds2 n GLY 54 Ca 0.04 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 1ds2 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ds2 s LYS 55 N -1.44 3.13 0.00 1.61 -2.85 -1.26 -2.17 119.74 116.76 1ds2 s LYS 55 Ca 0.00 1.54 0.14 0.00 -1.00 0.00 0.00 55.97 56.65 1ds2 s LYS 55 Cb 0.00 -1.98 0.83 0.00 -2.06 0.00 0.00 37.83 34.62 1ds2 s LYS 55 CO 0.00 -1.02 1.26 0.00 0.10 0.00 0.00 175.35 175.69