#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxc s GLU 5 N 0.00 0.74 -0.04 5.56 2.12 -1.26 -1.33 118.70 124.48 3cxc s GLU 5 Ca 0.00 -0.15 -0.31 0.00 0.36 0.00 0.00 54.97 54.86 3cxc s GLU 5 Cb 0.00 -0.74 -0.10 0.00 0.26 0.00 0.00 34.13 33.56 3cxc s GLU 5 CO 0.00 -0.00 1.98 0.00 -0.54 0.00 0.00 175.26 176.69 3cxc n ASP 7 N 7.71 0.22 0.00 0.00 8.00 -0.52 -1.77 116.55 130.19 3cxc n ASP 7 Ca 0.22 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 55.00 3cxc n ASP 7 Cb 0.37 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 3cxc n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cxc n TYR 8 N -0.00 0.00 0.04 1.24 9.36 -1.26 -4.91 117.16 121.62 3cxc n TYR 8 Ca 0.00 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.09 3cxc n TYR 8 Cb 0.06 0.10 -0.02 0.00 -0.63 0.00 0.00 39.34 38.84 3cxc n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3cxc n GLY 10 N 0.73 2.53 3.71 0.00 0.00 -0.73 -0.47 105.19 110.97 3cxc n GLY 10 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 3cxc n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cxc s THR 11 N -2.51 2.71 0.29 2.61 -4.23 -1.26 -4.42 115.64 108.83 3cxc s THR 11 Ca 0.00 0.23 -0.29 0.00 -1.18 0.00 0.00 61.69 60.45 3cxc s THR 11 Cb 0.00 -2.56 -0.10 0.00 1.34 0.00 0.00 72.50 71.18 3cxc s THR 11 CO 0.00 -0.30 1.27 -1.81 -0.54 0.00 0.00 174.62 173.24 3cxc s ASP 12 N -3.15 6.90 -0.36 3.99 1.01 -1.26 -1.38 116.67 122.41 3cxc s ASP 12 Ca 0.64 2.55 -0.18 0.00 0.71 0.00 0.00 52.55 56.27 3cxc s ASP 12 Cb -0.19 -2.64 -0.00 0.00 1.01 0.00 0.00 42.92 41.10 3cxc s ASP 12 CO 0.57 -0.46 0.48 -0.63 0.21 0.00 0.00 175.17 175.35 3cxc s ILE 13 N -0.86 5.04 -0.21 0.77 1.01 -0.44 -4.84 121.20 121.67 3cxc s ILE 13 Ca 0.50 0.20 -0.34 0.00 0.00 0.00 0.00 60.65 61.01 3cxc s ILE 13 Cb -0.38 -3.96 -0.11 0.00 0.01 0.00 0.00 42.46 38.03 3cxc s ILE 13 CO 0.47 -0.23 2.03 1.21 0.00 0.00 0.00 174.94 178.42 3cxc n GLU 14 N 5.69 1.69 -1.63 2.79 4.07 -1.26 -4.44 120.64 127.54 3cxc n GLU 14 Ca -0.06 0.56 -0.46 0.00 -0.06 0.00 0.00 57.16 57.14 3cxc n GLU 14 Cb 0.49 -2.63 -0.03 0.00 -0.06 0.00 0.00 31.44 29.21 3cxc n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3cxc n PRO 15 N 7.39 1.69 -1.57 5.31 -0.04 -1.26 -1.95 135.00 144.57 3cxc n PRO 15 Ca 0.30 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 3cxc n PRO 15 Cb 0.28 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 3cxc n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cxc n GLY 16 N 1.90 0.79 3.39 0.55 0.00 -1.26 -5.05 105.19 105.51 3cxc n GLY 16 Ca 0.12 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 3cxc n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cxc s THR 17 N -2.10 0.05 0.00 2.61 2.01 -0.82 -5.17 115.64 112.22 3cxc s THR 17 Ca 0.00 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.23 3cxc s THR 17 Cb 0.00 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 71.10 3cxc s THR 17 CO 0.00 -0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.30 3cxc n GLY 18 N -0.26 0.74 3.25 4.40 0.00 -1.26 -4.85 105.19 107.21 3cxc n GLY 18 Ca -0.13 -1.77 -0.26 0.00 0.00 0.00 0.00 46.02 43.86 3cxc n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cxc s THR 19 N -2.93 1.70 -0.24 2.61 2.01 -0.92 -4.98 115.64 112.89 3cxc s THR 19 Ca 0.00 -1.18 -0.03 0.00 0.31 0.00 0.00 61.69 60.79 3cxc s THR 19 Cb 0.00 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 71.05 3cxc s THR 19 CO 0.00 0.25 -0.03 -0.32 -0.69 0.00 0.00 174.62 173.83 3cxc s MET 20 N -1.10 3.12 -0.18 4.92 1.75 -1.26 -0.49 119.30 126.07 3cxc s MET 20 Ca 0.08 -0.80 -0.15 0.00 -1.25 0.00 0.00 55.69 53.58 3cxc s MET 20 Cb -0.09 -3.05 -0.04 0.00 2.84 0.00 0.00 34.83 34.49 3cxc s MET 20 CO 0.01 -0.31 0.33 0.12 -0.65 0.00 0.00 175.02 174.53 3cxc s PHE 21 N 1.42 3.42 -0.33 4.11 5.36 0.38 -4.92 117.98 127.42 3cxc s PHE 21 Ca 0.03 0.59 -0.13 0.00 -0.96 0.00 0.00 56.93 56.47 3cxc s PHE 21 Cb -0.16 -2.42 -0.02 0.00 -0.34 0.00 0.00 43.02 40.08 3cxc s PHE 21 CO -0.03 0.12 0.25 0.08 -1.46 0.00 0.00 175.22 174.18 3cxc s VAL 22 N 0.85 5.28 0.80 3.12 1.01 -1.26 -1.39 120.40 128.81 3cxc s VAL 22 Ca 0.17 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 3cxc s VAL 22 Cb -0.14 -3.69 0.07 0.00 0.00 0.00 0.00 36.38 32.62 3cxc s VAL 22 CO 0.06 0.03 1.09 -1.00 0.00 0.00 0.00 175.10 175.28 3cxc s HIS 23 N 1.76 2.69 0.16 5.22 0.09 0.73 -4.92 115.29 121.03 3cxc s HIS 23 Ca 0.07 1.31 -0.21 0.00 -0.00 0.00 0.00 55.06 56.23 3cxc s HIS 23 Cb -0.17 -3.07 0.07 0.00 -0.00 0.00 0.00 32.58 29.41 3cxc s HIS 23 CO 0.11 -1.85 1.63 -0.22 -0.00 0.00 0.00 174.74 174.41 3cxc h LYS 24 N -1.15 -0.18 0.00 1.40 3.64 -1.98 -1.19 116.57 117.11 3cxc h LYS 24 Ca -0.46 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3cxc h LYS 24 Cb 1.25 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3cxc h LYS 24 CO 0.56 -0.12 0.00 0.38 -2.27 0.00 0.00 179.45 178.00 3cxc h ASP 25 N -0.18 0.00 0.00 4.20 -0.00 -2.05 -3.45 116.42 114.94 3cxc h ASP 25 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.20 3cxc h ASP 25 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.78 3cxc h ASP 25 CO -0.46 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.39 3cxc n GLY 26 N -0.07 1.39 3.72 7.15 0.00 -0.45 -5.11 105.19 111.81 3cxc n GLY 26 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3cxc n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxc s ALA 27 N -2.00 2.16 -0.09 4.61 0.00 -1.26 -4.67 121.76 120.52 3cxc s ALA 27 Ca 0.00 1.09 0.03 0.00 0.00 0.00 0.00 51.96 53.08 3cxc s ALA 27 Cb 0.00 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.59 3cxc s ALA 27 CO 0.00 -1.88 -0.20 0.99 0.00 0.00 0.00 175.76 174.67 3cxc s THR 28 N -1.66 1.71 -0.18 0.00 2.01 -1.26 -0.19 115.64 116.07 3cxc s THR 28 Ca 0.79 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.97 3cxc s THR 28 Cb -0.35 -1.50 0.05 0.00 0.01 0.00 0.00 72.50 70.71 3cxc s THR 28 CO 0.44 0.48 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.92 3cxc s THR 29 N 0.47 1.09 0.05 -0.82 2.01 -0.48 -4.99 115.64 112.97 3cxc s THR 29 Ca -0.17 -0.71 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 3cxc s THR 29 Cb -0.17 -1.33 -0.06 0.00 0.01 0.00 0.00 72.50 70.95 3cxc s THR 29 CO 0.07 0.05 0.59 -1.00 -0.69 0.00 0.00 174.62 173.64 3cxc s HIS 30 N 1.63 3.77 0.02 4.92 3.76 -1.26 -0.47 115.29 127.66 3cxc s HIS 30 Ca -0.01 1.27 0.08 0.00 -0.15 0.00 0.00 55.06 56.26 3cxc s HIS 30 Cb -0.16 -2.56 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 3cxc s HIS 30 CO -0.07 0.50 -0.24 -0.06 -0.85 0.00 0.00 174.74 174.01 3cxc s PHE 31 N -0.79 2.14 -0.19 1.40 0.40 0.36 -1.44 117.98 119.87 3cxc s PHE 31 Ca 0.30 -0.40 0.19 0.00 -0.60 0.00 0.00 56.93 56.42 3cxc s PHE 31 Cb -0.19 -1.31 -0.02 0.00 0.51 0.00 0.00 43.02 42.00 3cxc s PHE 31 CO 0.19 0.06 1.06 0.00 0.70 0.00 0.00 175.22 177.23 3cxc s SER 33 N -5.81 0.21 0.18 0.00 1.04 -1.26 -4.42 113.70 103.64 3cxc s SER 33 Ca -0.00 -1.13 -0.03 0.00 0.48 0.00 0.00 55.95 55.28 3cxc s SER 33 Cb 0.08 0.63 0.08 0.00 0.10 0.00 0.00 66.02 66.91 3cxc s SER 33 CO 0.78 -1.22 1.47 0.77 0.98 0.00 0.00 173.24 176.01 3cxc h SER 34 N 2.20 0.56 -0.02 7.02 4.64 -1.99 -2.89 113.55 123.08 3cxc h SER 34 Ca -0.28 -0.33 0.03 0.00 -0.47 0.00 0.00 61.79 60.74 3cxc h SER 34 Cb 1.25 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 63.13 3cxc h SER 34 CO 0.37 1.06 -0.25 0.50 -0.87 0.00 0.00 176.83 177.64 3cxc h LYS 35 N 0.36 -0.36 0.60 4.77 3.64 -1.99 0.16 116.57 123.75 3cxc h LYS 35 Ca -0.01 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3cxc h LYS 35 Cb 1.20 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 3cxc h LYS 35 CO 0.12 -0.24 -0.43 0.00 -2.27 0.00 0.00 179.45 176.62 3cxc h GLU 37 N -1.00 -0.15 -0.72 0.00 5.08 -1.23 0.11 114.58 116.67 3cxc h GLU 37 Ca -0.07 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3cxc h GLU 37 Cb 0.83 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 3cxc h GLU 37 CO 0.04 -0.10 0.45 -0.91 -1.00 0.00 0.00 179.01 177.49 3cxc h ASN 38 N -0.15 0.85 -0.83 1.42 2.35 -0.55 0.12 115.58 118.78 3cxc h ASN 38 Ca 0.21 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 3cxc h ASN 38 Cb 0.55 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.67 3cxc h ASN 38 CO -0.78 0.64 0.40 0.78 -1.65 0.00 0.00 177.43 176.82 3cxc h ASN 39 N 0.98 1.10 -0.18 5.81 4.21 0.17 -1.33 115.58 126.34 3cxc h ASN 39 Ca 0.26 -0.14 0.01 0.00 1.21 0.00 0.00 56.30 57.64 3cxc h ASN 39 Cb -0.07 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 36.84 3cxc h ASN 39 CO -0.05 0.93 0.09 0.00 -1.29 0.00 0.00 177.43 177.11 3cxc h ALA 40 N 1.21 0.21 -0.22 -0.83 0.00 -0.00 -2.00 119.26 117.63 3cxc h ALA 40 Ca 0.29 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.26 3cxc h ALA 40 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3cxc h ALA 40 CO -0.04 -0.33 0.16 -0.44 0.00 0.00 0.00 179.25 178.61 3cxc h ASP 41 N 0.20 0.00 0.66 0.00 3.32 -0.11 0.55 116.42 121.04 3cxc h ASP 41 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3cxc h ASP 41 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3cxc h ASP 41 CO -0.04 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.66 3cxc n LEU 42 N -4.44 0.31 0.00 1.55 4.77 -0.57 -4.84 117.00 113.79 3cxc n LEU 42 Ca 0.02 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 3cxc n LEU 42 Cb 0.31 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3cxc n LEU 42 CO 0.35 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 3cxc n GLY 43 N 0.13 0.40 3.77 -0.72 0.00 0.19 -5.07 105.19 103.90 3cxc n GLY 43 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3cxc n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cxc s ARG 44 N -0.94 3.48 -0.22 1.61 0.52 -1.03 -5.00 118.95 117.38 3cxc s ARG 44 Ca 0.00 1.66 -0.06 0.00 -0.52 0.00 0.00 55.73 56.81 3cxc s ARG 44 Cb 0.00 -2.13 -0.03 0.00 0.52 0.00 0.00 34.95 33.31 3cxc s ARG 44 CO 0.00 -0.75 0.03 -1.21 0.02 0.00 0.00 175.30 173.39 3cxc s GLU 45 N -3.10 3.65 0.37 3.54 2.02 -1.26 -4.36 118.70 119.55 3cxc s GLU 45 Ca 0.70 -0.49 0.29 0.00 0.02 0.00 0.00 54.97 55.48 3cxc s GLU 45 Cb -0.25 -3.19 1.24 0.00 0.10 0.00 0.00 34.13 32.03 3cxc s GLU 45 CO 0.29 -0.07 1.26 0.00 0.02 0.00 0.00 175.26 176.77 3cxc n ALA 46 N 4.51 1.18 0.07 5.21 0.00 -1.26 0.25 120.51 130.47 3cxc n ALA 46 Ca -0.17 0.67 0.02 0.00 0.00 0.00 0.00 53.44 53.96 3cxc n ALA 46 Cb 0.52 -0.87 0.37 0.00 0.00 0.00 0.00 19.45 19.47 3cxc n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cxc h ARG 47 N 0.00 0.36 -0.01 0.00 3.08 -1.93 -2.63 114.38 113.26 3cxc h ARG 47 Ca 0.72 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.70 3cxc h ARG 47 Cb 2.43 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.42 3cxc h ARG 47 CO -0.31 0.42 -0.12 0.09 -1.07 0.00 0.00 179.97 178.98 3cxc n ASN 48 N -4.31 0.66 -4.35 7.04 3.02 0.14 -4.47 115.26 112.99 3cxc n ASN 48 Ca 0.00 -0.76 -0.41 0.00 -0.03 0.00 0.00 54.58 53.39 3cxc n ASN 48 Cb 0.23 -0.02 -0.11 0.00 -0.61 0.00 0.00 39.78 39.27 3cxc n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3cxc s LEU 49 N -2.40 4.85 0.29 3.41 1.43 -0.99 -4.99 118.68 120.28 3cxc s LEU 49 Ca 0.30 -1.13 0.04 0.00 -1.03 0.00 0.00 54.13 52.31 3cxc s LEU 49 Cb 0.20 -2.02 0.73 0.00 0.03 0.00 0.00 46.19 45.13 3cxc s LEU 49 CO 0.46 -0.43 1.73 -0.33 0.23 0.00 0.00 176.35 178.01 3cxc h GLU 50 N 8.44 0.52 0.00 1.70 5.08 -1.84 -0.73 114.58 127.75 3cxc h GLU 50 Ca -0.25 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3cxc h GLU 50 Cb 1.10 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3cxc h GLU 50 CO 0.70 0.35 0.00 0.11 -1.00 0.00 0.00 179.01 179.16 3cxc h TRP 51 N 0.54 0.00 -3.09 4.33 5.08 -1.94 -3.40 115.95 117.48 3cxc h TRP 51 Ca 0.56 0.00 -0.54 0.00 1.08 0.00 0.00 58.89 59.99 3cxc h TRP 51 Cb 0.99 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.15 3cxc h TRP 51 CO -0.08 0.00 0.66 0.99 -1.28 0.00 0.00 178.44 178.74 3cxc s THR 52 N -3.67 3.92 0.40 0.12 2.01 -0.28 -4.91 115.64 113.23 3cxc s THR 52 Ca -0.01 1.35 0.16 0.00 0.31 0.00 0.00 61.69 63.50 3cxc s THR 52 Cb 0.09 -3.86 0.37 0.00 0.01 0.00 0.00 72.50 69.11 3cxc s THR 52 CO 0.37 0.06 1.84 0.44 -0.69 0.00 0.00 174.62 176.64 3cxc h ASP 53 N 7.14 0.47 0.34 3.53 5.19 -1.79 0.17 116.42 131.47 3cxc h ASP 53 Ca -0.39 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.06 3cxc h ASP 53 Cb 1.20 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 3cxc h ASP 53 CO 0.85 0.18 -0.31 0.74 -3.12 0.00 0.00 179.24 177.58 3cxc h THR 54 N 0.46 0.00 -0.88 0.35 2.02 -1.07 -2.19 112.91 111.61 3cxc h THR 54 Ca 0.49 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.83 3cxc h THR 54 Cb 1.15 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.49 3cxc h THR 54 CO -0.21 0.00 0.57 0.00 0.37 0.00 0.00 175.52 176.25 3cxc h ALA 55 N -1.28 1.95 0.00 6.16 0.00 -1.33 -3.48 119.26 121.27 3cxc h ALA 55 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3cxc h ALA 55 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3cxc h ALA 55 CO -0.02 -0.20 0.00 0.54 0.00 0.00 0.00 179.25 179.57