#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozz s LYS 2 N 0.00 1.26 0.08 -1.24 2.47 0.30 -4.87 119.74 117.74 1ozz s LYS 2 Ca 0.00 -0.16 -0.30 0.00 -1.56 0.00 0.00 55.97 53.95 1ozz s LYS 2 Cb 0.00 -1.42 -0.06 0.00 -1.46 0.00 0.00 37.83 34.89 1ozz s LYS 2 CO 0.00 -0.28 1.13 -1.17 0.16 0.00 0.00 175.35 175.18 1ozz s LEU 3 N 1.78 4.40 0.00 5.43 2.96 -1.26 0.31 118.68 132.30 1ozz s LEU 3 Ca 0.05 1.95 0.00 0.00 -0.22 0.00 0.00 54.13 55.91 1ozz s LEU 3 Cb -0.13 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1ozz s LEU 3 CO -0.07 -0.36 0.00 2.30 -1.32 0.00 0.00 176.35 176.89 1ozz n ILE 4 N 3.55 0.00 0.00 6.68 -5.35 -1.04 -4.96 119.36 118.24 1ozz n ILE 4 Ca 0.07 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1ozz n ILE 4 Cb 0.47 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.90 1ozz n ILE 4 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ozz n GLY 5 N 1.83 -0.73 2.98 3.28 0.00 -1.25 -4.89 105.19 106.41 1ozz n GLY 5 Ca 0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 1ozz n GLY 5 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ozz s SER 6 N -4.00 0.85 0.28 1.61 0.01 0.07 -0.59 113.70 111.93 1ozz s SER 6 Ca 0.00 -0.13 0.14 0.00 1.31 0.00 0.00 55.95 57.27 1ozz s SER 6 Cb 0.00 -0.12 0.31 0.00 0.21 0.00 0.00 66.02 66.42 1ozz s SER 6 CO 0.00 0.08 1.56 0.00 0.41 0.00 0.00 173.24 175.29 1ozz s VAL 8 N -3.30 3.41 0.31 0.00 0.11 -1.24 -3.72 120.40 115.98 1ozz s VAL 8 Ca 0.01 1.13 -0.29 0.00 -2.93 0.00 0.00 61.98 59.90 1ozz s VAL 8 Cb 0.10 -3.73 -0.10 0.00 -1.53 0.00 0.00 36.38 31.13 1ozz s VAL 8 CO 0.74 0.16 1.24 0.86 -3.33 0.00 0.00 175.10 174.77 1ozz s TRP 9 N 0.26 3.22 0.00 1.54 -0.00 -1.26 -3.06 118.94 119.64 1ozz s TRP 9 Ca 0.57 1.51 0.00 0.00 -0.00 0.00 0.00 56.10 58.17 1ozz s TRP 9 Cb -0.35 -3.55 0.00 0.00 -0.00 0.00 0.00 33.47 29.57 1ozz s TRP 9 CO 0.36 -1.44 0.00 0.41 -0.00 0.00 0.00 176.95 176.28 1ozz n GLY 10 N 0.94 2.91 3.79 5.86 0.00 -1.26 -5.05 105.19 112.38 1ozz n GLY 10 Ca -0.00 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1ozz n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ozz s ALA 11 N -2.43 2.70 0.36 4.61 0.00 -1.17 -4.97 121.76 120.86 1ozz s ALA 11 Ca 0.00 0.50 -0.28 0.00 0.00 0.00 0.00 51.96 52.18 1ozz s ALA 11 Cb 0.00 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.74 1ozz s ALA 11 CO 0.00 -0.82 1.50 0.54 0.00 0.00 0.00 175.76 176.98 1ozz s VAL 12 N -2.29 2.06 -1.02 0.00 0.11 -1.26 -3.06 120.40 114.94 1ozz s VAL 12 Ca 0.66 0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.74 1ozz s VAL 12 Cb -0.18 -3.03 -0.03 0.00 -1.53 0.00 0.00 36.38 31.61 1ozz s VAL 12 CO 0.34 0.01 0.87 0.59 -3.33 0.00 0.00 175.10 173.58 1ozz n ASN 13 N 0.71 -3.96 -4.72 3.54 3.02 -1.26 -3.60 115.26 108.99 1ozz n ASN 13 Ca 0.02 -0.60 -0.42 0.00 -0.03 0.00 0.00 54.58 53.55 1ozz n ASN 13 Cb 0.39 -4.72 -0.03 0.00 -0.61 0.00 0.00 39.78 34.81 1ozz n ASN 13 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ozz s TYR 14 N -3.34 2.86 -0.50 3.10 5.04 -1.17 -0.75 117.35 122.59 1ozz s TYR 14 Ca 0.19 0.38 0.06 0.00 -2.44 0.00 0.00 57.07 55.27 1ozz s TYR 14 Cb -0.03 -4.08 0.22 0.00 0.35 0.00 0.00 41.96 38.42 1ozz s TYR 14 CO 0.66 -4.12 0.82 -2.37 -1.34 0.00 0.00 175.55 169.20 1ozz n THR 15 N 4.08 -0.03 -0.14 4.34 5.66 0.13 -4.86 114.28 123.45 1ozz n THR 15 Ca 0.16 -1.41 -0.04 0.00 -3.05 0.00 0.00 64.05 59.71 1ozz n THR 15 Cb 0.36 1.22 0.05 0.00 -1.55 0.00 0.00 70.33 70.42 1ozz n THR 15 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1ozz h SER 16 N 4.35 0.11 0.00 1.09 4.64 -1.72 -2.89 113.55 119.13 1ozz h SER 16 Ca -0.07 0.06 -0.57 0.00 -0.47 0.00 0.00 61.79 60.74 1ozz h SER 16 Cb 1.05 0.06 0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1ozz h SER 16 CO 0.23 0.09 3.13 -0.46 -0.87 0.00 0.00 176.83 178.95 1ozz n ASN 17 N -5.04 7.89 -0.07 4.97 0.23 -1.26 -4.70 115.26 117.28 1ozz n ASN 17 Ca 0.04 -2.53 -0.09 0.00 -0.53 0.00 0.00 54.58 51.48 1ozz n ASN 17 Cb 0.19 -1.49 -0.03 0.00 -2.08 0.00 0.00 39.78 36.38 1ozz n ASN 17 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ozz h ASN 19 N -0.30 -0.23 -0.20 0.00 -1.24 -1.84 0.44 115.58 112.21 1ozz h ASN 19 Ca 0.14 0.10 -0.16 0.00 0.71 0.00 0.00 56.30 57.10 1ozz h ASN 19 Cb 0.53 0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.78 1ozz h ASN 19 CO -0.46 -0.07 -0.49 0.00 -1.29 0.00 0.00 177.43 175.12 1ozz h ALA 20 N 1.36 0.33 -0.56 1.57 0.00 -1.79 -2.91 119.26 117.26 1ozz h ALA 20 Ca 0.19 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1ozz h ALA 20 Cb 0.28 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1ozz h ALA 20 CO -0.35 0.50 0.35 1.49 0.00 0.00 0.00 179.25 181.24 1ozz h GLU 21 N 0.39 0.69 -0.83 0.00 4.57 0.00 -1.77 114.58 117.63 1ozz h GLU 21 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1ozz h GLU 21 Cb 1.10 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.49 1ozz h GLU 21 CO 0.11 0.46 0.53 0.00 -1.18 0.00 0.00 179.01 178.93 1ozz h LYS 23 N 1.13 1.12 -0.51 0.00 1.57 -1.14 -1.07 116.57 117.67 1ozz h LYS 23 Ca 0.30 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1ozz h LYS 23 Cb -0.10 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 31.94 1ozz h LYS 23 CO -0.06 0.78 0.15 0.00 -0.57 0.00 0.00 179.45 179.74 1ozz h ARG 24 N 1.14 0.76 -0.01 3.15 3.08 -0.57 -1.69 114.38 120.26 1ozz h ARG 24 Ca 0.30 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1ozz h ARG 24 Cb -0.06 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.87 1ozz h ARG 24 CO -0.06 0.68 0.00 0.54 -1.07 0.00 0.00 179.97 180.06 1ozz n ARG 25 N -4.30 1.02 -2.00 0.04 1.74 -0.61 -4.85 116.66 107.69 1ozz n ARG 25 Ca 0.04 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ozz n ARG 25 Cb 0.20 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 1ozz n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ozz n GLY 26 N 0.58 0.87 3.40 -0.13 0.00 -0.63 -5.08 105.19 104.20 1ozz n GLY 26 Ca 0.03 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 1ozz n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ozz s TYR 27 N -2.62 2.42 0.25 1.61 1.51 -0.51 -5.00 117.35 115.02 1ozz s TYR 27 Ca 0.00 -0.34 -0.03 0.00 -1.01 0.00 0.00 57.07 55.69 1ozz s TYR 27 Cb 0.00 -1.40 0.46 0.00 -0.11 0.00 0.00 41.96 40.91 1ozz s TYR 27 CO 0.00 0.21 1.77 1.57 -1.11 0.00 0.00 175.55 177.99 1ozz h LYS 28 N 4.53 0.61 0.00 -0.62 2.10 -1.86 -3.28 116.57 118.06 1ozz h LYS 28 Ca -0.48 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1ozz h LYS 28 Cb 1.15 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1ozz h LYS 28 CO 0.45 0.41 0.00 0.41 -2.00 0.00 0.00 179.45 178.71 1ozz n GLY 29 N -1.32 2.37 3.64 0.07 0.00 -1.26 -4.83 105.19 103.87 1ozz n GLY 29 Ca 0.15 -0.72 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 1ozz n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ozz s GLY 30 N -0.31 -0.34 -0.22 -0.02 0.00 -1.25 -0.76 107.32 104.43 1ozz s GLY 30 Ca 0.00 0.68 -0.27 0.00 0.00 0.00 0.00 44.72 45.13 1ozz s GLY 30 CO 0.00 0.18 0.94 -2.38 0.00 0.00 0.00 173.10 171.83 1ozz s HIS 31 N -2.84 -0.51 0.15 1.90 -3.43 -0.03 -3.77 115.29 106.75 1ozz s HIS 31 Ca 0.11 1.12 -0.30 0.00 -0.80 0.00 0.00 55.06 55.19 1ozz s HIS 31 Cb 0.01 0.38 -0.07 0.00 -1.43 0.00 0.00 32.58 31.47 1ozz s HIS 31 CO -0.03 -0.33 1.17 0.00 -2.00 0.00 0.00 174.74 173.55 1ozz n GLY 33 N 2.45 5.42 6.02 0.00 0.00 0.19 -4.82 105.19 114.45 1ozz n GLY 33 Ca 0.05 -1.43 0.02 0.00 0.00 0.00 0.00 46.02 44.66 1ozz n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ozz n SER 34 N 0.00 -4.20 -4.72 1.61 7.64 -1.26 -2.16 113.62 110.53 1ozz n SER 34 Ca 0.00 0.17 -0.42 0.00 1.01 0.00 0.00 58.87 59.63 1ozz n SER 34 Cb 0.00 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.70 1ozz n SER 34 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1ozz s PHE 35 N -0.29 2.96 -0.56 1.43 5.36 -1.26 -1.40 117.98 124.22 1ozz s PHE 35 Ca 0.00 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 1ozz s PHE 35 Cb 0.00 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.67 1ozz s PHE 35 CO 0.00 -3.80 0.00 0.00 -1.46 0.00 0.00 175.22 169.96 1ozz n ALA 36 N 4.07 -0.08 -4.01 11.12 0.00 -1.26 -2.95 120.51 127.41 1ozz n ALA 36 Ca 0.15 0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.36 1ozz n ALA 36 Cb 0.37 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.43 1ozz n ALA 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ozz n ASN 37 N -0.81 -3.76 0.09 0.00 5.03 -0.49 -4.89 115.26 110.43 1ozz n ASN 37 Ca -0.05 -0.88 -0.23 0.00 0.87 0.00 0.00 54.58 54.29 1ozz n ASN 37 Cb 0.46 -3.46 -0.15 0.00 -1.02 0.00 0.00 39.78 35.60 1ozz n ASN 37 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 1ozz h VAL 38 N -1.87 1.05 -3.32 2.41 -1.51 -1.32 -3.37 116.25 108.32 1ozz h VAL 38 Ca -0.59 -2.55 -0.53 0.00 -1.23 0.00 0.00 66.70 61.80 1ozz h VAL 38 Cb 1.38 2.85 0.02 0.00 -2.13 0.00 0.00 31.29 33.41 1ozz h VAL 38 CO 0.70 0.83 0.61 0.20 -1.23 0.00 0.00 177.57 178.68 1ozz s ASN 39 N -7.35 6.99 -0.36 4.19 -0.87 -1.06 0.32 114.94 116.79 1ozz s ASN 39 Ca -0.14 2.25 -0.20 0.00 -1.57 0.00 0.00 52.86 53.20 1ozz s ASN 39 Cb 0.05 -2.60 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 1ozz s ASN 39 CO 0.87 -0.48 0.59 0.00 -2.57 0.00 0.00 177.10 175.52 1ozz s TRP 41 N 2.61 2.95 0.17 0.00 0.52 -0.55 -2.50 118.94 122.15 1ozz s TRP 41 Ca 0.22 -0.88 -0.30 0.00 0.02 0.00 0.00 56.10 55.17 1ozz s TRP 41 Cb -0.15 -2.08 -0.07 0.00 -1.15 0.00 0.00 33.47 30.02 1ozz s TRP 41 CO 0.15 -0.49 0.94 0.00 0.02 0.00 0.00 176.95 177.56 1ozz s GLU 43 N -0.59 4.25 0.00 0.00 0.41 0.06 -0.54 118.70 122.30 1ozz s GLU 43 Ca 0.43 2.06 0.24 0.00 -0.41 0.00 0.00 54.97 57.30 1ozz s GLU 43 Cb -0.24 -3.61 0.26 0.00 -1.78 0.00 0.00 34.13 28.75 1ozz s GLU 43 CO 0.30 -0.63 1.30 0.25 -0.49 0.00 0.00 175.26 175.99