#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 s GLU 5 N 0.00 0.86 0.09 5.56 2.12 -1.26 -1.64 118.70 124.43 2qa4 s GLU 5 Ca 0.00 -0.49 -0.31 0.00 0.36 0.00 0.00 54.97 54.53 2qa4 s GLU 5 Cb 0.00 -0.83 -0.07 0.00 0.26 0.00 0.00 34.13 33.48 2qa4 s GLU 5 CO 0.00 0.22 1.39 0.00 -0.54 0.00 0.00 175.26 176.33 2qa4 n ASP 7 N 4.20 0.35 0.00 0.00 9.92 -0.59 -1.46 116.55 128.97 2qa4 n ASP 7 Ca 0.12 -1.84 0.00 0.00 -0.53 0.00 0.00 54.79 52.54 2qa4 n ASP 7 Cb 0.43 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 2qa4 n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qa4 n TYR 8 N -0.29 -0.02 0.12 1.24 9.36 -1.26 -4.92 117.16 121.38 2qa4 n TYR 8 Ca 0.00 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.04 2qa4 n TYR 8 Cb 0.09 0.11 -0.15 0.00 -0.63 0.00 0.00 39.34 38.76 2qa4 n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2qa4 n GLY 10 N 1.60 0.67 3.77 0.00 0.00 -0.54 -1.94 105.19 108.74 2qa4 n GLY 10 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 2qa4 n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qa4 s THR 11 N -2.58 3.88 0.16 2.61 -4.23 -1.26 -4.54 115.64 109.68 2qa4 s THR 11 Ca 0.00 1.73 -0.34 0.00 -1.18 0.00 0.00 61.69 61.90 2qa4 s THR 11 Cb 0.00 -4.04 -0.14 0.00 1.34 0.00 0.00 72.50 69.66 2qa4 s THR 11 CO 0.00 0.29 1.52 0.47 -0.54 0.00 0.00 174.62 176.36 2qa4 n ASP 12 N 0.91 2.84 -4.74 3.99 8.00 -1.26 -2.49 116.55 123.80 2qa4 n ASP 12 Ca 0.00 1.10 -0.39 0.00 0.71 0.00 0.00 54.79 56.21 2qa4 n ASP 12 Cb 0.48 -1.39 -0.05 0.00 -0.02 0.00 0.00 41.12 40.13 2qa4 n ASP 12 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qa4 s ILE 13 N 0.69 5.04 -0.02 0.53 1.01 -0.65 -4.88 121.20 122.93 2qa4 s ILE 13 Ca 0.78 1.19 -0.30 0.00 0.00 0.00 0.00 60.65 62.32 2qa4 s ILE 13 Cb -0.71 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 37.79 2qa4 s ILE 13 CO 0.41 0.35 1.50 -0.70 0.00 0.00 0.00 174.94 176.50 2qa4 s GLU 14 N 0.31 4.23 0.20 2.79 2.56 -1.26 -4.37 118.70 123.16 2qa4 s GLU 14 Ca 0.31 2.07 -0.32 0.00 0.00 0.00 0.00 54.97 57.03 2qa4 s GLU 14 Cb -0.17 -3.71 -0.12 0.00 2.00 0.00 0.00 34.13 32.13 2qa4 s GLU 14 CO 0.15 -0.69 1.74 -0.35 -0.56 0.00 0.00 175.26 175.55 2qa4 n PRO 15 N 6.00 2.79 -1.11 4.30 -0.04 -1.26 -2.22 135.00 143.46 2qa4 n PRO 15 Ca 0.15 1.01 0.00 0.00 -0.04 0.00 0.00 63.50 64.62 2qa4 n PRO 15 Cb 0.43 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 2qa4 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qa4 n GLY 16 N 4.01 1.07 3.40 0.55 0.00 -1.26 -5.07 105.19 107.88 2qa4 n GLY 16 Ca 0.16 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 2qa4 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qa4 s THR 17 N -2.00 -0.01 0.00 2.61 2.01 -0.94 -5.17 115.64 112.14 2qa4 s THR 17 Ca 0.00 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.03 2qa4 s THR 17 Cb 0.00 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.79 2qa4 s THR 17 CO 0.00 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 2qa4 n GLY 18 N 3.59 2.48 3.18 4.40 0.00 -1.26 -4.68 105.19 112.90 2qa4 n GLY 18 Ca -0.18 -2.09 -0.23 0.00 0.00 0.00 0.00 46.02 43.52 2qa4 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qa4 s THR 19 N -1.88 1.36 -0.51 2.61 2.01 -1.14 -5.03 115.64 113.07 2qa4 s THR 19 Ca 0.00 -0.98 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 2qa4 s THR 19 Cb 0.00 -1.19 0.13 0.00 0.01 0.00 0.00 72.50 71.46 2qa4 s THR 19 CO 0.00 0.18 0.30 -0.32 -0.69 0.00 0.00 174.62 174.10 2qa4 s MET 20 N -0.94 2.22 0.25 4.92 1.75 -1.26 -1.99 119.30 124.25 2qa4 s MET 20 Ca 0.05 -2.19 -0.30 0.00 -1.25 0.00 0.00 55.69 52.00 2qa4 s MET 20 Cb -0.08 -3.61 -0.09 0.00 2.84 0.00 0.00 34.83 33.89 2qa4 s MET 20 CO 0.01 -1.11 1.05 0.12 -0.65 0.00 0.00 175.02 174.44 2qa4 s PHE 21 N 0.50 3.71 -0.19 4.11 5.36 -0.49 -4.90 117.98 126.08 2qa4 s PHE 21 Ca 0.13 1.75 0.01 0.00 -0.96 0.00 0.00 56.93 57.86 2qa4 s PHE 21 Cb -0.22 -3.19 0.03 0.00 -0.34 0.00 0.00 43.02 39.30 2qa4 s PHE 21 CO -0.04 -0.25 -0.18 0.08 -1.46 0.00 0.00 175.22 173.38 2qa4 s VAL 22 N -1.01 2.02 0.91 3.12 1.01 -1.26 -1.43 120.40 123.75 2qa4 s VAL 22 Ca 0.44 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 2qa4 s VAL 22 Cb -0.30 -1.88 0.15 0.00 0.00 0.00 0.00 36.38 34.35 2qa4 s VAL 22 CO 0.37 0.44 1.22 -1.00 0.00 0.00 0.00 175.10 176.13 2qa4 s HIS 23 N 1.29 2.20 0.39 5.22 0.09 -0.78 -4.95 115.29 118.74 2qa4 s HIS 23 Ca 0.03 0.60 0.12 0.00 -0.00 0.00 0.00 55.06 55.81 2qa4 s HIS 23 Cb -0.14 -3.70 0.79 0.00 -0.00 0.00 0.00 32.58 29.53 2qa4 s HIS 23 CO -0.11 -2.36 1.88 -0.22 -0.00 0.00 0.00 174.74 173.92 2qa4 h LYS 24 N -1.47 0.05 0.07 1.40 3.64 -2.01 -2.59 116.57 115.68 2qa4 h LYS 24 Ca -0.46 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 58.65 2qa4 h LYS 24 Cb 1.29 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.11 2qa4 h LYS 24 CO 0.53 0.33 -1.11 0.38 -2.27 0.00 0.00 179.45 177.31 2qa4 h ASP 25 N 0.05 0.53 0.00 4.20 -0.00 -2.05 -3.48 116.42 115.67 2qa4 h ASP 25 Ca 0.01 -0.49 0.00 0.00 -0.00 0.00 0.00 57.03 56.55 2qa4 h ASP 25 Cb 0.53 -0.17 0.00 0.00 -0.00 0.00 0.00 39.33 39.69 2qa4 h ASP 25 CO 0.04 1.33 0.00 0.61 -0.00 0.00 0.00 179.24 181.21 2qa4 n GLY 26 N 1.24 1.31 3.47 7.15 0.00 -0.98 -5.14 105.19 112.26 2qa4 n GLY 26 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 2qa4 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa4 n ALA 27 N 0.00 -1.21 -2.94 4.61 0.00 -1.26 -4.55 120.51 115.17 2qa4 n ALA 27 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.02 2qa4 n ALA 27 Cb 0.00 -1.85 -0.15 0.00 0.00 0.00 0.00 19.45 17.45 2qa4 n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qa4 s THR 28 N -1.77 2.61 -0.16 0.00 2.01 -1.26 -1.86 115.64 115.21 2qa4 s THR 28 Ca 0.68 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.82 2qa4 s THR 28 Cb -0.41 -2.03 0.05 0.00 0.01 0.00 0.00 72.50 70.12 2qa4 s THR 28 CO 0.55 0.55 0.02 -0.89 -0.69 0.00 0.00 174.62 174.16 2qa4 s THR 29 N 0.06 0.56 -0.20 -0.82 2.01 -0.52 -5.01 115.64 111.73 2qa4 s THR 29 Ca -0.08 -0.39 -0.18 0.00 0.31 0.00 0.00 61.69 61.35 2qa4 s THR 29 Cb -0.15 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 2qa4 s THR 29 CO 0.05 -0.04 0.52 -1.00 -0.69 0.00 0.00 174.62 173.46 2qa4 s HIS 30 N 1.86 3.38 0.00 4.92 3.76 -1.26 -1.39 115.29 126.56 2qa4 s HIS 30 Ca 0.01 0.78 0.02 0.00 -0.15 0.00 0.00 55.06 55.72 2qa4 s HIS 30 Cb -0.16 -2.67 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 2qa4 s HIS 30 CO -0.07 -0.09 -0.02 -0.06 -0.85 0.00 0.00 174.74 173.65 2qa4 s PHE 31 N 1.61 3.02 -0.44 1.40 0.40 -0.84 -1.55 117.98 121.58 2qa4 s PHE 31 Ca 0.24 0.04 0.23 0.00 -0.60 0.00 0.00 56.93 56.84 2qa4 s PHE 31 Cb -0.15 -1.65 0.04 0.00 0.51 0.00 0.00 43.02 41.77 2qa4 s PHE 31 CO 0.10 0.44 1.02 0.00 0.70 0.00 0.00 175.22 177.47 2qa4 s SER 33 N -4.49 -0.21 0.43 0.00 1.04 -1.26 -4.58 113.70 104.64 2qa4 s SER 33 Ca 0.02 -0.47 0.21 0.00 0.48 0.00 0.00 55.95 56.19 2qa4 s SER 33 Cb 0.13 0.52 0.98 0.00 0.10 0.00 0.00 66.02 67.75 2qa4 s SER 33 CO 0.80 -0.96 1.88 0.77 0.98 0.00 0.00 173.24 176.71 2qa4 h SER 34 N 2.30 0.00 -0.39 7.02 4.64 -2.00 -2.48 113.55 122.64 2qa4 h SER 34 Ca -0.31 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 2qa4 h SER 34 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 2qa4 h SER 34 CO 0.42 0.26 0.17 0.50 -0.87 0.00 0.00 176.83 177.31 2qa4 h LYS 35 N 0.00 0.58 -0.44 4.77 3.64 -1.99 -2.38 116.57 120.75 2qa4 h LYS 35 Ca -0.00 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 2qa4 h LYS 35 Cb 0.64 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2qa4 h LYS 35 CO 0.03 0.54 -0.06 0.00 -2.27 0.00 0.00 179.45 177.69 2qa4 h GLU 37 N 0.66 -0.57 0.00 0.00 5.08 -1.37 -2.31 114.58 116.07 2qa4 h GLU 37 Ca 0.12 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2qa4 h GLU 37 Cb 0.58 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 2qa4 h GLU 37 CO 0.03 -0.38 -0.06 -0.91 -1.00 0.00 0.00 179.01 176.69 2qa4 h ASN 38 N -0.59 0.00 1.38 1.42 2.35 -1.44 -0.85 115.58 117.85 2qa4 h ASN 38 Ca -0.01 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 2qa4 h ASN 38 Cb 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 2qa4 h ASN 38 CO -0.04 0.06 -0.31 0.78 -1.65 0.00 0.00 177.43 176.27 2qa4 h ASN 39 N 0.00 0.00 0.40 5.81 4.21 -0.95 -3.13 115.58 121.92 2qa4 h ASN 39 Ca -0.00 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.20 2qa4 h ASN 39 Cb 0.46 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.62 2qa4 h ASN 39 CO 0.01 0.31 -1.79 0.00 -1.29 0.00 0.00 177.43 174.67 2qa4 n ALA 40 N -2.20 1.36 0.32 -0.83 0.00 -0.77 -3.25 120.51 115.14 2qa4 n ALA 40 Ca 0.02 -0.74 0.11 0.00 0.00 0.00 0.00 53.44 52.83 2qa4 n ALA 40 Cb 0.59 -0.80 0.50 0.00 0.00 0.00 0.00 19.45 19.74 2qa4 n ALA 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qa4 n ASP 41 N -3.13 0.59 0.08 0.00 8.00 -0.40 -2.26 116.55 119.44 2qa4 n ASP 41 Ca -0.21 0.69 -0.23 0.00 0.71 0.00 0.00 54.79 55.75 2qa4 n ASP 41 Cb 1.05 -0.80 -0.15 0.00 -0.02 0.00 0.00 41.12 41.21 2qa4 n ASP 41 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2qa4 h LEU 42 N 0.00 0.65 0.00 0.64 3.38 -1.66 -3.49 115.31 114.83 2qa4 h LEU 42 Ca 0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 2qa4 h LEU 42 Cb 0.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2qa4 h LEU 42 CO 0.00 1.72 0.00 0.61 0.09 0.00 0.00 178.44 180.86 2qa4 n GLY 43 N 1.79 0.33 3.85 0.83 0.00 -0.96 -5.14 105.19 105.90 2qa4 n GLY 43 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2qa4 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qa4 s ARG 44 N 0.00 3.98 -0.13 1.61 0.52 -1.20 -5.07 118.95 118.66 2qa4 s ARG 44 Ca 0.00 0.70 -0.02 0.00 -0.52 0.00 0.00 55.73 55.89 2qa4 s ARG 44 Cb 0.00 -2.37 -0.03 0.00 0.52 0.00 0.00 34.95 33.07 2qa4 s ARG 44 CO 0.00 0.07 -0.06 -1.21 0.02 0.00 0.00 175.30 174.13 2qa4 s GLU 45 N -3.24 3.45 0.64 3.54 2.02 -1.26 -4.61 118.70 119.23 2qa4 s GLU 45 Ca 0.55 -0.54 0.21 0.00 0.02 0.00 0.00 54.97 55.20 2qa4 s GLU 45 Cb -0.10 -2.81 1.01 0.00 0.10 0.00 0.00 34.13 32.33 2qa4 s GLU 45 CO 0.20 0.33 1.54 0.00 0.02 0.00 0.00 175.26 177.35 2qa4 h ALA 46 N 6.39 2.02 -0.32 5.21 0.00 -1.94 -1.75 119.26 128.86 2qa4 h ALA 46 Ca -0.34 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 2qa4 h ALA 46 Cb 1.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2qa4 h ALA 46 CO 0.60 -0.88 -0.12 0.00 0.00 0.00 0.00 179.25 178.84 2qa4 h ARG 47 N 0.00 0.66 0.00 0.00 3.08 -1.90 -3.28 114.38 112.94 2qa4 h ARG 47 Ca 0.14 -0.27 -0.13 0.00 0.07 0.00 0.00 59.98 59.80 2qa4 h ARG 47 Cb 1.59 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.59 2qa4 h ARG 47 CO -0.00 0.85 -0.60 -0.91 -1.07 0.00 0.00 179.97 178.24 2qa4 h ASN 48 N 0.43 0.00 -3.16 7.04 2.35 -1.74 -3.40 115.58 117.10 2qa4 h ASN 48 Ca 0.08 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.26 2qa4 h ASN 48 Cb 0.64 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.96 2qa4 h ASN 48 CO 0.04 0.60 1.00 -0.76 -1.65 0.00 0.00 177.43 176.66 2qa4 s LEU 49 N -6.96 3.81 0.19 1.61 1.43 -1.24 -4.92 118.68 112.61 2qa4 s LEU 49 Ca 0.01 1.14 -0.12 0.00 -1.03 0.00 0.00 54.13 54.12 2qa4 s LEU 49 Cb 0.10 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.91 2qa4 s LEU 49 CO 0.75 -1.17 1.85 -0.33 0.23 0.00 0.00 176.35 177.67 2qa4 h GLU 50 N 9.70 0.78 0.00 1.70 5.08 -1.87 -2.58 114.58 127.40 2qa4 h GLU 50 Ca -0.27 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2qa4 h GLU 50 Cb 1.10 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2qa4 h GLU 50 CO 1.04 0.52 0.00 -2.67 -1.00 0.00 0.00 179.01 176.90 2qa4 n TRP 51 N -4.68 0.60 -2.50 4.33 4.27 -1.26 -4.58 117.44 113.62 2qa4 n TRP 51 Ca 0.05 0.28 -0.41 0.00 -3.89 0.00 0.00 57.50 53.53 2qa4 n TRP 51 Cb 0.05 -0.95 -0.04 0.00 -1.36 0.00 0.00 31.31 29.01 2qa4 n TRP 51 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 2qa4 s THR 52 N -3.36 3.96 0.40 -1.67 2.01 -0.97 -4.94 115.64 111.08 2qa4 s THR 52 Ca 0.01 1.60 0.22 0.00 0.31 0.00 0.00 61.69 63.83 2qa4 s THR 52 Cb 0.07 -4.02 0.23 0.00 0.01 0.00 0.00 72.50 68.79 2qa4 s THR 52 CO 0.24 0.23 2.00 0.44 -0.69 0.00 0.00 174.62 176.85 2qa4 h ASP 53 N 5.60 0.00 -0.93 3.53 5.19 -1.83 -1.23 116.42 126.75 2qa4 h ASP 53 Ca -0.43 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.96 2qa4 h ASP 53 Cb 1.21 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.68 2qa4 h ASP 53 CO 0.75 0.18 0.54 0.74 -3.12 0.00 0.00 179.24 178.32 2qa4 h THR 54 N 0.00 1.26 0.00 0.35 2.02 -1.65 -1.83 112.91 113.06 2qa4 h THR 54 Ca -0.00 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2qa4 h THR 54 Cb 0.40 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2qa4 h THR 54 CO 0.02 0.28 -0.08 0.00 0.37 0.00 0.00 175.52 176.12 2qa4 n ALA 55 N -2.40 2.37 1.01 6.16 0.00 -0.55 -4.89 120.51 122.21 2qa4 n ALA 55 Ca 0.10 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.60 2qa4 n ALA 55 Cb 0.08 -1.43 0.10 0.00 0.00 0.00 0.00 19.45 18.20 2qa4 n ALA 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04