#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k73 s GLU 5 N 0.00 2.18 -0.10 5.56 2.12 -1.26 -1.02 118.70 126.18 1k73 s GLU 5 Ca 0.00 -0.86 -0.29 0.00 0.36 0.00 0.00 54.97 54.18 1k73 s GLU 5 Cb 0.00 -1.98 -0.06 0.00 0.26 0.00 0.00 34.13 32.35 1k73 s GLU 5 CO 0.00 0.44 1.97 0.00 -0.54 0.00 0.00 175.26 177.13 1k73 n ASP 7 N 9.02 0.00 0.00 0.00 8.00 -0.43 -1.97 116.55 131.17 1k73 n ASP 7 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1k73 n ASP 7 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1k73 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k73 n TYR 8 N -0.89 0.00 0.04 1.24 9.36 -1.26 -4.86 117.16 120.79 1k73 n TYR 8 Ca 0.00 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.16 1k73 n TYR 8 Cb 0.00 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.60 1k73 n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1k73 n GLY 10 N 1.42 3.11 3.66 0.00 0.00 -0.83 -0.37 105.19 112.17 1k73 n GLY 10 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1k73 n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k73 s THR 11 N -2.72 2.37 0.14 2.61 -4.23 -1.26 -4.44 115.64 108.11 1k73 s THR 11 Ca 0.00 0.12 -0.30 0.00 -1.18 0.00 0.00 61.69 60.33 1k73 s THR 11 Cb 0.00 -2.47 -0.07 0.00 1.34 0.00 0.00 72.50 71.30 1k73 s THR 11 CO 0.00 -0.16 1.09 -1.81 -0.54 0.00 0.00 174.62 173.20 1k73 s ASP 12 N -3.16 7.27 -0.40 3.99 1.01 -1.26 -1.48 116.67 122.64 1k73 s ASP 12 Ca 0.65 2.02 -0.26 0.00 0.71 0.00 0.00 52.55 55.67 1k73 s ASP 12 Cb -0.20 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.15 1k73 s ASP 12 CO 0.59 -0.24 0.96 -0.63 0.21 0.00 0.00 175.17 176.05 1k73 s ILE 13 N 0.05 4.51 -0.10 0.77 1.01 -0.19 -4.86 121.20 122.38 1k73 s ILE 13 Ca 0.51 1.13 -0.35 0.00 0.00 0.00 0.00 60.65 61.93 1k73 s ILE 13 Cb -0.28 -4.39 -0.13 0.00 0.01 0.00 0.00 42.46 37.67 1k73 s ILE 13 CO 0.33 -0.66 1.83 1.21 0.00 0.00 0.00 174.94 177.65 1k73 n GLU 14 N 6.99 1.98 -1.55 2.79 4.07 -1.26 -4.58 120.64 129.08 1k73 n GLU 14 Ca 0.08 0.72 -0.41 0.00 -0.06 0.00 0.00 57.16 57.49 1k73 n GLU 14 Cb 0.48 -2.53 0.02 0.00 -0.06 0.00 0.00 31.44 29.35 1k73 n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1k73 n PRO 15 N 6.11 0.97 -2.89 5.31 -0.04 -1.26 -2.49 135.00 140.71 1k73 n PRO 15 Ca 0.23 0.35 -0.12 0.00 -0.04 0.00 0.00 63.50 63.92 1k73 n PRO 15 Cb 0.26 -1.86 0.03 0.00 -0.04 0.00 0.00 33.50 31.89 1k73 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k73 n GLY 16 N 1.44 0.13 3.34 0.55 0.00 -1.26 -5.01 105.19 104.38 1k73 n GLY 16 Ca 0.11 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 1k73 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k73 s THR 17 N -3.04 0.05 0.00 2.61 2.01 -1.04 -5.17 115.64 111.07 1k73 s THR 17 Ca 0.24 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.79 1k73 s THR 17 Cb -0.11 -1.10 0.00 0.00 0.01 0.00 0.00 72.50 71.30 1k73 s THR 17 CO 0.30 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 1k73 n GLY 18 N -0.11 -0.17 3.21 4.40 0.00 -1.26 -4.85 105.19 106.41 1k73 n GLY 18 Ca -0.17 -1.77 -0.21 0.00 0.00 0.00 0.00 46.02 43.87 1k73 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k73 s THR 19 N -1.98 1.38 -0.21 2.61 2.01 -0.93 -4.99 115.64 113.54 1k73 s THR 19 Ca 0.00 -1.32 -0.01 0.00 0.31 0.00 0.00 61.69 60.66 1k73 s THR 19 Cb 0.00 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.25 1k73 s THR 19 CO 0.00 -0.08 -0.11 -0.32 -0.69 0.00 0.00 174.62 173.42 1k73 s MET 20 N -1.63 3.12 -0.17 4.92 1.75 -1.26 -0.36 119.30 125.66 1k73 s MET 20 Ca 0.03 -0.77 -0.13 0.00 -1.25 0.00 0.00 55.69 53.56 1k73 s MET 20 Cb -0.09 -2.81 -0.05 0.00 2.84 0.00 0.00 34.83 34.72 1k73 s MET 20 CO 0.03 -0.24 0.27 0.12 -0.65 0.00 0.00 175.02 174.55 1k73 s PHE 21 N 1.37 3.44 -0.31 4.11 5.36 -0.23 -4.91 117.98 126.80 1k73 s PHE 21 Ca 0.04 0.54 -0.13 0.00 -0.96 0.00 0.00 56.93 56.43 1k73 s PHE 21 Cb -0.14 -2.33 -0.03 0.00 -0.34 0.00 0.00 43.02 40.18 1k73 s PHE 21 CO -0.08 0.22 0.27 0.08 -1.46 0.00 0.00 175.22 174.25 1k73 s VAL 22 N 0.54 5.25 0.92 3.12 1.01 -1.26 -1.54 120.40 128.44 1k73 s VAL 22 Ca 0.15 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 1k73 s VAL 22 Cb -0.13 -3.68 0.14 0.00 0.00 0.00 0.00 36.38 32.71 1k73 s VAL 22 CO 0.03 0.07 1.10 -1.00 0.00 0.00 0.00 175.10 175.30 1k73 s HIS 23 N 1.85 2.34 0.13 5.22 0.09 0.07 -4.93 115.29 120.05 1k73 s HIS 23 Ca 0.09 1.11 -0.20 0.00 -0.00 0.00 0.00 55.06 56.06 1k73 s HIS 23 Cb -0.17 -3.21 -0.03 0.00 -0.00 0.00 0.00 32.58 29.17 1k73 s HIS 23 CO 0.11 -2.46 1.72 -0.22 -0.00 0.00 0.00 174.74 173.89 1k73 h LYS 24 N -1.59 0.06 0.00 1.40 3.64 -1.98 -2.03 116.57 116.08 1k73 h LYS 24 Ca -0.51 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1k73 h LYS 24 Cb 1.30 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1k73 h LYS 24 CO 0.57 0.04 0.00 0.38 -2.27 0.00 0.00 179.45 178.17 1k73 h ASP 25 N 0.06 0.00 0.00 4.20 -0.00 -2.04 -3.46 116.42 115.18 1k73 h ASP 25 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.12 1k73 h ASP 25 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.45 1k73 h ASP 25 CO -0.16 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.69 1k73 n GLY 26 N -0.43 1.15 3.71 7.15 0.00 -0.76 -5.10 105.19 110.90 1k73 n GLY 26 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1k73 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k73 s ALA 27 N -2.00 1.92 -0.02 4.61 0.00 -1.26 -4.66 121.76 120.35 1k73 s ALA 27 Ca 0.00 0.84 0.06 0.00 0.00 0.00 0.00 51.96 52.86 1k73 s ALA 27 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1k73 s ALA 27 CO 0.00 -2.17 -0.21 0.99 0.00 0.00 0.00 175.76 174.37 1k73 s THR 28 N -2.13 1.69 -0.17 0.00 2.01 -1.26 -0.75 115.64 115.03 1k73 s THR 28 Ca 0.73 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 61.80 1k73 s THR 28 Cb -0.28 -1.41 0.05 0.00 0.01 0.00 0.00 72.50 70.87 1k73 s THR 28 CO 0.49 0.48 0.01 -0.89 -0.69 0.00 0.00 174.62 174.03 1k73 s THR 29 N -0.45 0.62 -0.07 -0.82 2.01 -0.59 -4.99 115.64 111.36 1k73 s THR 29 Ca 0.07 -0.48 -0.20 0.00 0.31 0.00 0.00 61.69 61.38 1k73 s THR 29 Cb -0.09 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1k73 s THR 29 CO -0.00 -0.08 0.58 -1.00 -0.69 0.00 0.00 174.62 173.42 1k73 s HIS 30 N 1.83 3.59 0.06 4.92 3.76 -1.26 -1.07 115.29 127.11 1k73 s HIS 30 Ca 0.00 1.09 0.07 0.00 -0.15 0.00 0.00 55.06 56.07 1k73 s HIS 30 Cb -0.16 -2.64 -0.03 0.00 1.11 0.00 0.00 32.58 30.86 1k73 s HIS 30 CO -0.07 0.21 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.80 1k73 s PHE 31 N 0.39 2.58 -0.48 1.40 0.40 0.51 -1.31 117.98 121.47 1k73 s PHE 31 Ca 0.31 -0.24 0.23 0.00 -0.60 0.00 0.00 56.93 56.63 1k73 s PHE 31 Cb -0.17 -1.44 0.06 0.00 0.51 0.00 0.00 43.02 41.98 1k73 s PHE 31 CO 0.15 0.30 1.04 0.00 0.70 0.00 0.00 175.22 177.40 1k73 s SER 33 N -4.34 -0.19 0.22 0.00 1.04 -1.26 -4.38 113.70 104.79 1k73 s SER 33 Ca 0.02 -0.57 -0.03 0.00 0.48 0.00 0.00 55.95 55.86 1k73 s SER 33 Cb 0.13 0.63 0.19 0.00 0.10 0.00 0.00 66.02 67.07 1k73 s SER 33 CO 0.79 -1.17 1.59 0.77 0.98 0.00 0.00 173.24 176.21 1k73 h SER 34 N 2.00 0.67 -0.58 7.02 4.64 -1.99 -2.68 113.55 122.63 1k73 h SER 34 Ca -0.22 -0.28 0.10 0.00 -0.47 0.00 0.00 61.79 60.91 1k73 h SER 34 Cb 1.24 -0.19 -0.08 0.00 -0.31 0.00 0.00 62.40 63.07 1k73 h SER 34 CO 0.26 0.97 0.16 0.50 -0.87 0.00 0.00 176.83 177.85 1k73 h LYS 35 N 0.53 0.31 -0.05 4.77 3.64 -1.99 0.18 116.57 123.96 1k73 h LYS 35 Ca 0.05 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1k73 h LYS 35 Cb 0.87 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1k73 h LYS 35 CO 0.08 0.20 -0.04 0.00 -2.27 0.00 0.00 179.45 177.42 1k73 h GLU 37 N -0.32 -0.11 -0.83 0.00 5.08 -1.08 0.15 114.58 117.48 1k73 h GLU 37 Ca 0.01 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1k73 h GLU 37 Cb 0.51 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1k73 h GLU 37 CO 0.01 -0.07 0.48 -0.91 -1.00 0.00 0.00 179.01 177.52 1k73 h ASN 38 N -0.11 1.00 -0.04 1.42 2.35 -0.62 0.39 115.58 119.96 1k73 h ASN 38 Ca 0.16 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 1k73 h ASN 38 Cb 0.36 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1k73 h ASN 38 CO -0.39 0.78 -0.22 0.78 -1.65 0.00 0.00 177.43 176.74 1k73 h ASN 39 N 1.14 0.43 -0.18 5.81 4.21 -0.28 -2.55 115.58 124.16 1k73 h ASN 39 Ca 0.29 -0.13 -0.06 0.00 1.21 0.00 0.00 56.30 57.61 1k73 h ASN 39 Cb -0.02 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.06 1k73 h ASN 39 CO -0.05 0.66 -0.14 0.00 -1.29 0.00 0.00 177.43 176.61 1k73 h ALA 40 N 1.38 0.26 0.00 -0.83 0.00 0.03 -2.92 119.26 117.18 1k73 h ALA 40 Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1k73 h ALA 40 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1k73 h ALA 40 CO 0.04 0.13 0.04 -0.44 0.00 0.00 0.00 179.25 179.03 1k73 h ASP 41 N 0.08 0.00 0.33 0.00 3.32 -0.63 0.59 116.42 120.11 1k73 h ASP 41 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1k73 h ASP 41 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1k73 h ASP 41 CO 0.04 0.00 -0.02 0.18 -1.72 0.00 0.00 179.24 177.72 1k73 n LEU 42 N -3.03 0.12 0.00 1.55 4.77 -0.99 -4.88 117.00 114.54 1k73 n LEU 42 Ca -0.03 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1k73 n LEU 42 Cb 0.11 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1k73 n LEU 42 CO 0.19 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1k73 n GLY 43 N 1.19 0.63 3.82 -0.72 0.00 0.21 -5.04 105.19 105.27 1k73 n GLY 43 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1k73 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k73 s ARG 44 N -0.20 4.22 -0.19 1.61 0.52 -1.12 -5.04 118.95 118.76 1k73 s ARG 44 Ca 0.00 1.04 -0.06 0.00 -0.52 0.00 0.00 55.73 56.18 1k73 s ARG 44 Cb 0.00 -2.34 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 1k73 s ARG 44 CO 0.00 0.07 0.03 -1.21 0.02 0.00 0.00 175.30 174.21 1k73 s GLU 45 N -2.95 3.81 0.51 3.54 2.02 -1.26 -4.46 118.70 119.92 1k73 s GLU 45 Ca 0.58 -0.43 0.38 0.00 0.02 0.00 0.00 54.97 55.52 1k73 s GLU 45 Cb -0.11 -3.15 1.54 0.00 0.10 0.00 0.00 34.13 32.52 1k73 s GLU 45 CO 0.16 0.16 1.70 0.00 0.02 0.00 0.00 175.26 177.30 1k73 h ALA 46 N 7.03 3.20 0.00 5.21 0.00 -1.95 0.93 119.26 133.68 1k73 h ALA 46 Ca -0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1k73 h ALA 46 Cb 1.18 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1k73 h ALA 46 CO 0.65 -1.67 -0.13 0.00 0.00 0.00 0.00 179.25 178.10 1k73 h ARG 47 N 0.05 0.00 -0.04 0.00 3.08 -1.94 -2.22 114.38 113.32 1k73 h ARG 47 Ca 0.73 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.78 1k73 h ARG 47 Cb 2.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.76 1k73 h ARG 47 CO -0.11 0.13 0.00 0.09 -1.07 0.00 0.00 179.97 179.01 1k73 n ASN 48 N -4.11 1.64 -4.35 7.04 3.02 0.32 -4.48 115.26 114.35 1k73 n ASN 48 Ca -0.02 -1.56 -0.39 0.00 -0.03 0.00 0.00 54.58 52.58 1k73 n ASN 48 Cb 0.22 -0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 39.25 1k73 n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k73 s LEU 49 N -1.94 4.30 0.66 3.41 1.43 -0.83 -4.98 118.68 120.73 1k73 s LEU 49 Ca 0.37 -0.90 0.36 0.00 -1.03 0.00 0.00 54.13 52.93 1k73 s LEU 49 Cb 0.21 -1.94 1.97 0.00 0.03 0.00 0.00 46.19 46.46 1k73 s LEU 49 CO 0.32 -0.29 2.13 -0.33 0.23 0.00 0.00 176.35 178.41 1k73 h GLU 50 N 8.31 0.00 0.00 1.70 5.08 -1.85 -1.63 114.58 126.19 1k73 h GLU 50 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1k73 h GLU 50 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1k73 h GLU 50 CO 0.63 0.00 -0.43 0.11 -1.00 0.00 0.00 179.01 178.32 1k73 h TRP 51 N 0.00 0.00 -3.36 4.33 5.08 -1.93 -3.43 115.95 116.64 1k73 h TRP 51 Ca 0.01 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.45 1k73 h TRP 51 Cb 0.38 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.56 1k73 h TRP 51 CO 0.00 0.00 0.60 0.99 -1.28 0.00 0.00 178.44 178.75 1k73 s THR 52 N -3.17 3.52 0.29 0.12 2.01 -0.61 -4.92 115.64 112.87 1k73 s THR 52 Ca 0.07 1.22 0.01 0.00 0.31 0.00 0.00 61.69 63.30 1k73 s THR 52 Cb 0.12 -3.78 0.28 0.00 0.01 0.00 0.00 72.50 69.14 1k73 s THR 52 CO 0.69 0.17 1.85 0.44 -0.69 0.00 0.00 174.62 177.08 1k73 h ASP 53 N 5.68 0.93 0.02 3.53 5.19 -1.77 0.38 116.42 130.39 1k73 h ASP 53 Ca -0.44 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1k73 h ASP 53 Cb 1.21 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 1k73 h ASP 53 CO 0.78 0.52 -0.12 0.74 -3.12 0.00 0.00 179.24 178.03 1k73 h THR 54 N 1.01 0.00 -1.05 0.35 2.02 -1.02 -0.82 112.91 113.40 1k73 h THR 54 Ca 0.47 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.93 1k73 h THR 54 Cb 0.42 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.73 1k73 h THR 54 CO -0.23 0.00 0.67 0.00 0.37 0.00 0.00 175.52 176.33 1k73 h ALA 55 N -1.29 2.22 0.00 6.16 0.00 -1.57 -3.48 119.26 121.29 1k73 h ALA 55 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1k73 h ALA 55 Cb 0.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1k73 h ALA 55 CO -0.07 -0.65 0.00 0.54 0.00 0.00 0.00 179.25 179.07