#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ccu s GLU 5 N 0.00 2.00 -0.07 5.56 2.12 -1.26 -1.55 118.70 125.51 3ccu s GLU 5 Ca 0.00 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.24 3ccu s GLU 5 Cb 0.00 -1.83 -0.06 0.00 0.26 0.00 0.00 34.13 32.50 3ccu s GLU 5 CO 0.00 0.42 1.79 0.00 -0.54 0.00 0.00 175.26 176.93 3ccu n ASP 7 N 7.84 0.00 0.00 0.00 8.00 -0.21 -1.28 116.55 130.90 3ccu n ASP 7 Ca 0.19 0.39 0.00 0.00 0.71 0.00 0.00 54.79 56.09 3ccu n ASP 7 Cb 0.43 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 3ccu n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ccu n TYR 8 N -1.39 0.00 0.11 1.24 9.36 -1.26 -4.82 117.16 120.40 3ccu n TYR 8 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 3ccu n TYR 8 Cb 0.00 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 38.76 3ccu n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ccu n GLY 10 N 0.85 0.24 3.78 0.00 0.00 -0.41 -1.00 105.19 108.66 3ccu n GLY 10 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3ccu n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ccu s THR 11 N -2.07 3.26 -0.13 2.61 -4.23 -1.26 -4.49 115.64 109.33 3ccu s THR 11 Ca 0.00 0.41 -0.29 0.00 -1.18 0.00 0.00 61.69 60.62 3ccu s THR 11 Cb 0.00 -3.06 -0.02 0.00 1.34 0.00 0.00 72.50 70.76 3ccu s THR 11 CO 0.00 -0.54 1.24 -1.81 -0.54 0.00 0.00 174.62 172.98 3ccu s ASP 12 N -3.70 6.98 -0.30 3.99 1.01 -1.26 -0.69 116.67 122.69 3ccu s ASP 12 Ca 0.61 1.74 -0.29 0.00 0.71 0.00 0.00 52.55 55.31 3ccu s ASP 12 Cb -0.15 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.22 3ccu s ASP 12 CO 0.55 -0.70 1.52 -0.63 0.21 0.00 0.00 175.17 176.12 3ccu s ILE 13 N 3.05 3.82 0.03 0.77 1.01 -0.60 -4.89 121.20 124.39 3ccu s ILE 13 Ca 0.55 0.89 -0.35 0.00 0.00 0.00 0.00 60.65 61.74 3ccu s ILE 13 Cb -0.23 -3.93 -0.14 0.00 0.01 0.00 0.00 42.46 38.18 3ccu s ILE 13 CO 0.17 -0.47 1.66 1.21 0.00 0.00 0.00 174.94 177.51 3ccu n GLU 14 N 7.80 1.92 -1.68 2.79 4.07 -1.26 -4.46 120.64 129.81 3ccu n GLU 14 Ca 0.18 0.70 -0.41 0.00 -0.06 0.00 0.00 57.16 57.57 3ccu n GLU 14 Cb 0.46 -2.46 0.02 0.00 -0.06 0.00 0.00 31.44 29.40 3ccu n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3ccu n PRO 15 N 4.53 1.73 -2.77 5.31 -0.04 -1.26 -2.67 135.00 139.83 3ccu n PRO 15 Ca 0.20 0.62 -0.09 0.00 -0.04 0.00 0.00 63.50 64.18 3ccu n PRO 15 Cb 0.26 -2.32 0.02 0.00 -0.04 0.00 0.00 33.50 31.43 3ccu n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ccu n GLY 16 N 0.91 0.27 3.37 0.55 0.00 -1.26 -5.02 105.19 104.01 3ccu n GLY 16 Ca 0.08 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 3ccu n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ccu s THR 17 N -2.97 0.04 0.00 2.61 2.01 -1.09 -5.17 115.64 111.07 3ccu s THR 17 Ca 0.18 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.89 3ccu s THR 17 Cb -0.08 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.36 3ccu s THR 17 CO 0.23 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 3ccu n GLY 18 N -0.15 -0.34 3.26 4.40 0.00 -1.26 -4.85 105.19 106.24 3ccu n GLY 18 Ca -0.17 -1.75 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 3ccu n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ccu s THR 19 N -1.98 1.61 -0.26 2.61 2.01 -1.01 -5.00 115.64 113.61 3ccu s THR 19 Ca 0.00 -1.41 0.00 0.00 0.31 0.00 0.00 61.69 60.59 3ccu s THR 19 Cb 0.00 -1.45 0.04 0.00 0.01 0.00 0.00 72.50 71.10 3ccu s THR 19 CO 0.00 -0.01 -0.08 -0.32 -0.69 0.00 0.00 174.62 173.52 3ccu s MET 20 N -1.68 2.59 -0.07 4.92 1.75 -1.26 -0.39 119.30 125.16 3ccu s MET 20 Ca 0.06 -1.13 -0.21 0.00 -1.25 0.00 0.00 55.69 53.15 3ccu s MET 20 Cb -0.10 -2.95 -0.04 0.00 2.84 0.00 0.00 34.83 34.58 3ccu s MET 20 CO 0.03 -0.48 0.59 0.12 -0.65 0.00 0.00 175.02 174.64 3ccu s PHE 21 N 1.24 3.59 -0.43 4.11 5.36 0.11 -4.90 117.98 127.04 3ccu s PHE 21 Ca -0.03 1.11 -0.12 0.00 -0.96 0.00 0.00 56.93 56.93 3ccu s PHE 21 Cb -0.18 -2.66 0.07 0.00 -0.34 0.00 0.00 43.02 39.92 3ccu s PHE 21 CO -0.05 0.19 0.30 0.08 -1.46 0.00 0.00 175.22 174.29 3ccu s VAL 22 N 0.45 4.61 1.05 3.12 1.01 -1.26 -0.74 120.40 128.63 3ccu s VAL 22 Ca 0.32 -1.24 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 3ccu s VAL 22 Cb -0.17 -3.78 0.22 0.00 0.00 0.00 0.00 36.38 32.65 3ccu s VAL 22 CO 0.15 -0.51 1.09 -1.00 0.00 0.00 0.00 175.10 174.83 3ccu s HIS 23 N 1.51 1.43 0.16 5.22 0.09 0.37 -4.90 115.29 119.17 3ccu s HIS 23 Ca 0.03 1.52 -0.15 0.00 -0.00 0.00 0.00 55.06 56.46 3ccu s HIS 23 Cb -0.23 -3.23 0.07 0.00 -0.00 0.00 0.00 32.58 29.19 3ccu s HIS 23 CO 0.04 -3.40 1.79 -0.22 -0.00 0.00 0.00 174.74 172.95 3ccu h LYS 24 N -2.30 0.46 0.00 1.40 3.64 -1.98 -2.28 116.57 115.51 3ccu h LYS 24 Ca -0.52 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 3ccu h LYS 24 Cb 1.30 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3ccu h LYS 24 CO 0.45 0.31 0.00 -0.40 -2.27 0.00 0.00 179.45 177.54 3ccu n ASP 25 N -4.88 0.28 0.00 4.20 3.85 -1.26 -4.84 116.55 113.91 3ccu n ASP 25 Ca 0.02 0.57 0.00 0.00 -0.71 0.00 0.00 54.79 54.67 3ccu n ASP 25 Cb 0.09 -0.63 0.00 0.00 -1.35 0.00 0.00 41.12 39.22 3ccu n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ccu n GLY 26 N -0.10 1.55 3.62 6.12 0.00 -0.86 -5.09 105.19 110.43 3ccu n GLY 26 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3ccu n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ccu n ALA 27 N -0.53 -0.73 -3.21 4.61 0.00 -1.26 -4.71 120.51 114.68 3ccu n ALA 27 Ca 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 3ccu n ALA 27 Cb 0.00 -2.13 -0.16 0.00 0.00 0.00 0.00 19.45 17.16 3ccu n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ccu s THR 28 N -2.24 0.85 -0.13 0.00 2.01 -1.26 -0.48 115.64 114.39 3ccu s THR 28 Ca 0.69 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.32 3ccu s THR 28 Cb -0.27 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.48 3ccu s THR 28 CO 0.55 0.28 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.76 3ccu s THR 29 N 0.40 1.33 -0.29 -0.82 2.01 0.08 -4.99 115.64 113.37 3ccu s THR 29 Ca -0.07 -0.48 -0.16 0.00 0.31 0.00 0.00 61.69 61.28 3ccu s THR 29 Cb -0.11 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 3ccu s THR 29 CO 0.01 0.42 0.43 -1.00 -0.69 0.00 0.00 174.62 173.79 3ccu s HIS 30 N 1.56 3.23 -0.07 4.92 3.76 -1.26 0.05 115.29 127.48 3ccu s HIS 30 Ca 0.05 0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 55.28 3ccu s HIS 30 Cb -0.13 -2.69 -0.04 0.00 1.11 0.00 0.00 32.58 30.84 3ccu s HIS 30 CO -0.09 -0.33 0.06 -0.06 -0.85 0.00 0.00 174.74 173.47 3ccu s PHE 31 N 2.18 3.32 -0.27 1.40 0.40 0.48 -1.05 117.98 124.43 3ccu s PHE 31 Ca 0.17 0.29 0.19 0.00 -0.60 0.00 0.00 56.93 56.97 3ccu s PHE 31 Cb -0.16 -1.81 0.14 0.00 0.51 0.00 0.00 43.02 41.70 3ccu s PHE 31 CO 0.11 0.57 1.39 0.00 0.70 0.00 0.00 175.22 177.98 3ccu s SER 33 N -6.14 -0.05 0.20 0.00 1.04 -1.26 -4.39 113.70 103.11 3ccu s SER 33 Ca 0.04 -0.88 -0.02 0.00 0.48 0.00 0.00 55.95 55.56 3ccu s SER 33 Cb 0.07 0.71 0.15 0.00 0.10 0.00 0.00 66.02 67.04 3ccu s SER 33 CO 0.73 -1.39 1.53 0.77 0.98 0.00 0.00 173.24 175.87 3ccu h SER 34 N 2.00 0.60 -0.51 7.02 4.64 -1.99 -2.92 113.55 122.39 3ccu h SER 34 Ca -0.28 -0.31 0.09 0.00 -0.47 0.00 0.00 61.79 60.82 3ccu h SER 34 Cb 1.24 -0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 63.08 3ccu h SER 34 CO 0.36 1.00 0.08 0.50 -0.87 0.00 0.00 176.83 177.90 3ccu h LYS 35 N 0.43 0.21 -0.34 4.77 3.64 -1.98 0.35 116.57 123.65 3ccu h LYS 35 Ca 0.02 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 3ccu h LYS 35 Cb 1.04 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 3ccu h LYS 35 CO 0.10 0.14 -0.04 0.00 -2.27 0.00 0.00 179.45 177.37 3ccu h GLU 37 N 0.41 0.11 -0.19 0.00 5.08 -1.10 -0.56 114.58 118.33 3ccu h GLU 37 Ca 0.09 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 3ccu h GLU 37 Cb 0.51 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3ccu h GLU 37 CO 0.02 0.07 -0.25 -0.91 -1.00 0.00 0.00 179.01 176.95 3ccu h ASN 38 N 0.11 0.36 -0.21 1.42 2.35 -0.27 -1.35 115.58 117.99 3ccu h ASN 38 Ca 0.14 -0.11 -0.14 0.00 -0.55 0.00 0.00 56.30 55.63 3ccu h ASN 38 Cb 0.17 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3ccu h ASN 38 CO -0.21 0.61 -0.43 0.78 -1.65 0.00 0.00 177.43 176.53 3ccu h ASN 39 N 0.32 0.74 -0.59 5.81 4.21 -0.72 -2.84 115.58 122.50 3ccu h ASN 39 Ca 0.05 -0.55 -0.03 0.00 1.21 0.00 0.00 56.30 56.98 3ccu h ASN 39 Cb 0.62 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 37.58 3ccu h ASN 39 CO 0.04 1.15 0.26 0.00 -1.29 0.00 0.00 177.43 177.60 3ccu h ALA 40 N 0.61 1.29 0.00 -0.83 0.00 -0.94 -1.66 119.26 117.72 3ccu h ALA 40 Ca 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3ccu h ALA 40 Cb 1.03 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3ccu h ALA 40 CO 0.09 0.53 -0.11 -0.44 0.00 0.00 0.00 179.25 179.33 3ccu h ASP 41 N 0.89 0.00 -0.03 0.00 3.32 -1.17 -0.39 116.42 119.04 3ccu h ASP 41 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3ccu h ASP 41 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3ccu h ASP 41 CO -0.02 0.11 0.00 0.18 -1.72 0.00 0.00 179.24 177.79 3ccu n LEU 42 N -3.48 0.25 -0.16 1.55 4.77 -0.65 -4.85 117.00 114.44 3ccu n LEU 42 Ca -0.01 -0.11 -0.02 0.00 -0.03 0.00 0.00 56.01 55.84 3ccu n LEU 42 Cb 0.26 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3ccu n LEU 42 CO 0.29 0.05 -0.02 0.61 -1.33 0.00 0.00 177.39 177.00 3ccu n GLY 43 N 0.77 0.53 3.80 -0.72 0.00 -0.16 -5.01 105.19 104.40 3ccu n GLY 43 Ca 0.11 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3ccu n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ccu s ARG 44 N -1.24 4.39 -0.23 1.61 0.52 -1.09 -5.04 118.95 117.88 3ccu s ARG 44 Ca 0.00 1.12 -0.08 0.00 -0.52 0.00 0.00 55.73 56.25 3ccu s ARG 44 Cb 0.00 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 3ccu s ARG 44 CO 0.00 0.25 0.09 -1.21 0.02 0.00 0.00 175.30 174.45 3ccu s GLU 45 N -2.30 3.82 0.40 3.54 2.02 -1.26 -4.40 118.70 120.53 3ccu s GLU 45 Ca 0.51 -0.40 0.25 0.00 0.02 0.00 0.00 54.97 55.34 3ccu s GLU 45 Cb -0.16 -3.35 1.37 0.00 0.10 0.00 0.00 34.13 32.10 3ccu s GLU 45 CO 0.21 -0.02 1.60 0.00 0.02 0.00 0.00 175.26 177.06 3ccu h ALA 46 N 7.71 2.44 0.00 5.21 0.00 -1.96 0.17 119.26 132.83 3ccu h ALA 46 Ca -0.37 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3ccu h ALA 46 Cb 1.18 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3ccu h ALA 46 CO 0.62 -1.15 -0.01 0.07 0.00 0.00 0.00 179.25 178.78 3ccu h ARG 47 N 0.06 0.00 -0.18 0.00 0.11 -1.93 -2.92 114.38 109.53 3ccu h ARG 47 Ca 0.84 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.92 3ccu h ARG 47 Cb 2.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.48 3ccu h ARG 47 CO -0.59 0.01 0.00 0.09 0.10 0.00 0.00 179.97 179.58 3ccu n ASN 48 N -3.12 2.11 -4.26 0.08 3.02 0.59 -4.46 115.26 109.21 3ccu n ASN 48 Ca -0.00 -1.76 -0.35 0.00 -0.03 0.00 0.00 54.58 52.43 3ccu n ASN 48 Cb 0.25 -0.11 -0.14 0.00 -0.61 0.00 0.00 39.78 39.17 3ccu n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ccu s LEU 49 N -1.64 3.37 0.42 3.41 1.43 -1.10 -5.02 118.68 119.56 3ccu s LEU 49 Ca 0.34 -0.76 0.17 0.00 -1.03 0.00 0.00 54.13 52.85 3ccu s LEU 49 Cb 0.19 -1.74 1.07 0.00 0.03 0.00 0.00 46.19 45.74 3ccu s LEU 49 CO 0.29 -0.14 1.88 -0.33 0.23 0.00 0.00 176.35 178.28 3ccu h GLU 50 N 8.10 0.40 0.00 1.70 5.08 -1.87 -1.74 114.58 126.25 3ccu h GLU 50 Ca -0.33 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3ccu h GLU 50 Cb 1.12 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3ccu h GLU 50 CO 0.59 0.26 0.00 0.11 -1.00 0.00 0.00 179.01 178.97 3ccu h TRP 51 N 0.41 0.00 -3.44 4.33 5.08 -1.95 -3.40 115.95 116.98 3ccu h TRP 51 Ca 0.43 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.87 3ccu h TRP 51 Cb 1.04 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 27.23 3ccu h TRP 51 CO -0.00 0.00 0.63 0.99 -1.28 0.00 0.00 178.44 178.78 3ccu s THR 52 N -3.39 3.24 0.38 0.12 2.01 -0.65 -4.92 115.64 112.43 3ccu s THR 52 Ca 0.04 1.04 0.05 0.00 0.31 0.00 0.00 61.69 63.13 3ccu s THR 52 Cb 0.09 -3.66 0.27 0.00 0.01 0.00 0.00 72.50 69.21 3ccu s THR 52 CO 0.47 0.16 2.04 0.44 -0.69 0.00 0.00 174.62 177.04 3ccu h ASP 53 N 5.20 0.58 0.31 3.53 5.19 -1.76 -1.27 116.42 128.21 3ccu h ASP 53 Ca -0.45 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 55.93 3ccu h ASP 53 Cb 1.21 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 3ccu h ASP 53 CO 0.76 0.42 -0.26 0.74 -3.12 0.00 0.00 179.24 177.78 3ccu h THR 54 N 0.69 0.00 -0.28 0.35 2.02 -1.38 -3.15 112.91 111.16 3ccu h THR 54 Ca 0.19 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.44 3ccu h THR 54 Cb -0.06 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.28 3ccu h THR 54 CO -0.04 0.00 -0.25 0.00 0.37 0.00 0.00 175.52 175.59 3ccu h ALA 55 N -1.40 -0.13 0.00 6.16 0.00 -1.62 -3.48 119.26 118.79 3ccu h ALA 55 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ccu h ALA 55 Cb 0.46 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3ccu h ALA 55 CO 0.00 -0.67 0.00 2.89 0.00 0.00 0.00 179.25 181.47