#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 4.15 -0.17 -1.24 -0.14 -0.91 -4.83 119.74 116.61 1ozz s LYS 2 Ca 0.00 0.71 -0.23 0.00 -1.36 0.00 0.00 55.97 55.09 1ozz s LYS 2 Cb 0.00 -3.64 -0.02 0.00 -1.68 0.00 0.00 37.83 32.49 1ozz s LYS 2 CO 0.00 -0.43 0.72 -1.17 -0.76 0.00 0.00 175.35 173.72 1ozz s LEU 3 N 2.54 4.18 0.00 3.17 2.96 -1.26 0.40 118.68 130.67 1ozz s LEU 3 Ca 0.30 1.02 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 1ozz s LEU 3 Cb -0.15 -3.06 0.00 0.00 0.50 0.00 0.00 46.19 43.47 1ozz s LEU 3 CO 0.08 -0.31 0.09 2.30 -1.32 0.00 0.00 176.35 177.19 1ozz n ILE 4 N 4.59 0.00 -0.87 6.68 -5.35 -1.10 -4.99 119.36 118.33 1ozz n ILE 4 Ca 0.01 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 1ozz n ILE 4 Cb 0.49 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 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 0.75 -0.64 2.99 3.28 0.00 -1.25 -4.89 105.19 105.43 1ozz n GLY 5 Ca 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1ozz n GLY 5 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ozz s SER 6 N -4.00 0.55 -0.55 1.61 1.04 0.38 -0.96 113.70 111.76 1ozz s SER 6 Ca 0.00 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.07 1ozz s SER 6 Cb 0.00 0.02 0.34 0.00 0.10 0.00 0.00 66.02 66.48 1ozz s SER 6 CO 0.00 -0.12 2.07 0.00 0.98 0.00 0.00 173.24 176.17 1ozz s VAL 8 N -3.83 0.66 0.45 0.00 1.01 -1.25 -4.82 120.40 112.61 1ozz s VAL 8 Ca 0.52 -0.29 -0.25 0.00 0.00 0.00 0.00 61.98 61.96 1ozz s VAL 8 Cb 0.41 -0.60 -0.08 0.00 0.00 0.00 0.00 36.38 36.11 1ozz s VAL 8 CO -0.05 0.21 1.32 0.26 0.00 0.00 0.00 175.10 176.85 1ozz s TRP 9 N 0.23 2.65 0.00 5.22 0.52 -1.26 -2.66 118.94 123.64 1ozz s TRP 9 Ca -0.03 1.39 0.00 0.00 0.02 0.00 0.00 56.10 57.48 1ozz s TRP 9 Cb -0.08 -3.71 0.00 0.00 -1.15 0.00 0.00 33.47 28.53 1ozz s TRP 9 CO 0.00 -2.34 0.00 0.41 0.02 0.00 0.00 176.95 175.04 1ozz n GLY 10 N 0.63 2.43 3.77 0.98 0.00 -1.26 -4.99 105.19 106.75 1ozz n GLY 10 Ca 0.06 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.45 2.77 0.34 4.61 0.00 -1.09 -4.96 121.76 122.98 1ozz s ALA 11 Ca 0.00 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 52.56 1ozz s ALA 11 Cb 0.00 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.63 1ozz s ALA 11 CO 0.00 -0.78 1.46 0.54 0.00 0.00 0.00 175.76 176.98 1ozz s VAL 12 N -1.68 2.27 -1.11 0.00 0.11 -1.26 -2.97 120.40 115.77 1ozz s VAL 12 Ca 0.70 0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 60.00 1ozz s VAL 12 Cb -0.26 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 1ozz s VAL 12 CO 0.30 0.06 0.93 0.59 -3.33 0.00 0.00 175.10 173.65 1ozz n ASN 13 N 1.05 -2.74 -4.72 3.54 3.02 -1.26 -3.80 115.26 110.35 1ozz n ASN 13 Ca 0.03 -0.55 -0.42 0.00 -0.03 0.00 0.00 54.58 53.61 1ozz n ASN 13 Cb 0.40 -4.66 -0.03 0.00 -0.61 0.00 0.00 39.78 34.88 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 -3.32 3.12 -0.30 3.10 5.04 -1.16 -0.47 117.35 123.37 1ozz s TYR 14 Ca 0.09 0.76 0.05 0.00 -2.44 0.00 0.00 57.07 55.54 1ozz s TYR 14 Cb -0.04 -3.84 0.19 0.00 0.35 0.00 0.00 41.96 38.62 1ozz s TYR 14 CO 0.66 -3.04 0.56 -0.08 -1.34 0.00 0.00 175.55 172.31 1ozz s THR 15 N 1.05 -0.93 0.13 4.34 -1.32 0.13 -4.87 115.64 114.17 1ozz s THR 15 Ca 0.68 -0.06 -0.08 0.00 -1.21 0.00 0.00 61.69 61.01 1ozz s THR 15 Cb -0.41 -0.93 -0.15 0.00 -1.51 0.00 0.00 72.50 69.50 1ozz s THR 15 CO 0.32 -0.06 1.34 -1.28 -2.21 0.00 0.00 174.62 172.73 1ozz h SER 16 N 7.96 0.75 -0.43 8.08 0.87 -1.88 -3.22 113.55 125.68 1ozz h SER 16 Ca -0.02 -0.51 -0.46 0.00 -1.23 0.00 0.00 61.79 59.57 1ozz h SER 16 Cb 1.18 -0.22 -0.08 0.00 -0.44 0.00 0.00 62.40 62.83 1ozz h SER 16 CO 0.17 1.29 1.25 -0.46 -0.53 0.00 0.00 176.83 178.55 1ozz n ASN 17 N -3.88 6.82 -0.28 6.23 0.23 -1.26 -4.70 115.26 118.42 1ozz n ASN 17 Ca -0.07 -2.77 0.05 0.00 -0.53 0.00 0.00 54.58 51.26 1ozz n ASN 17 Cb 0.75 -1.40 0.15 0.00 -2.08 0.00 0.00 39.78 37.20 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 0.04 -0.16 -0.51 0.00 -0.73 -1.82 -0.40 115.58 112.00 1ozz h ASN 19 Ca 0.42 0.06 -0.04 0.00 1.87 0.00 0.00 56.30 58.62 1ozz h ASN 19 Cb 0.72 0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.41 1ozz h ASN 19 CO -0.77 -0.05 0.16 0.00 -0.37 0.00 0.00 177.43 176.40 1ozz h ALA 20 N 1.22 0.67 -0.55 1.57 0.00 -1.36 -0.40 119.26 120.41 1ozz h ALA 20 Ca 0.11 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ozz h ALA 20 Cb 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1ozz h ALA 20 CO -0.22 0.33 0.29 1.49 0.00 0.00 0.00 179.25 181.14 1ozz h GLU 21 N 0.70 0.54 -0.50 0.00 4.57 -0.21 0.22 114.58 119.90 1ozz h GLU 21 Ca 0.17 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.25 1ozz h GLU 21 Cb 0.27 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1ozz h GLU 21 CO -0.01 0.36 0.06 0.00 -1.18 0.00 0.00 179.01 178.24 1ozz h LYS 23 N 0.71 1.16 -0.66 0.00 1.57 -0.31 0.11 116.57 119.15 1ozz h LYS 23 Ca 0.15 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1ozz h LYS 23 Cb 0.42 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1ozz h LYS 23 CO 0.01 0.83 0.32 0.00 -0.57 0.00 0.00 179.45 180.04 1ozz h ARG 24 N 1.17 0.94 0.55 3.15 2.47 -0.35 -3.20 114.38 119.11 1ozz h ARG 24 Ca 0.30 -0.14 -0.03 0.00 -1.26 0.00 0.00 59.98 58.86 1ozz h ARG 24 Cb -0.02 -0.17 0.01 0.00 -1.65 0.00 0.00 29.97 28.13 1ozz h ARG 24 CO -0.05 0.75 -0.26 0.00 0.56 0.00 0.00 179.97 180.96 1ozz h ARG 25 N 0.91 -0.71 0.00 0.04 3.08 -0.88 -3.47 114.38 113.34 1ozz h ARG 25 Ca 0.23 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1ozz h ARG 25 Cb 0.11 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1ozz h ARG 25 CO -0.03 -0.42 0.00 0.41 -1.07 0.00 0.00 179.97 178.86 1ozz n GLY 26 N -0.40 0.00 3.34 0.04 0.00 0.14 -5.11 105.19 103.19 1ozz n GLY 26 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 1.91 0.21 1.61 1.51 0.10 -5.00 117.35 117.69 1ozz s TYR 27 Ca 0.00 -0.43 -0.09 0.00 -1.01 0.00 0.00 57.07 55.53 1ozz s TYR 27 Cb 0.00 -0.98 0.25 0.00 -0.11 0.00 0.00 41.96 41.12 1ozz s TYR 27 CO 0.00 0.32 1.78 1.57 -1.11 0.00 0.00 175.55 178.11 1ozz h LYS 28 N 3.52 0.56 0.00 -0.62 2.10 -1.86 -3.30 116.57 116.97 1ozz h LYS 28 Ca -0.44 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1ozz h LYS 28 Cb 1.20 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1ozz h LYS 28 CO 0.46 0.37 0.00 0.41 -2.00 0.00 0.00 179.45 178.69 1ozz n GLY 29 N -1.28 1.88 3.56 0.07 0.00 -1.26 -4.81 105.19 103.35 1ozz n GLY 29 Ca 0.08 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.96 -0.37 -0.07 -0.02 0.00 -1.26 -0.52 107.32 104.12 1ozz s GLY 30 Ca 0.00 1.81 -0.09 0.00 0.00 0.00 0.00 44.72 46.44 1ozz s GLY 30 CO 0.00 1.04 0.24 -2.38 0.00 0.00 0.00 173.10 172.01 1ozz s HIS 31 N -1.07 -0.23 0.05 1.90 -3.43 0.60 -3.03 115.29 110.08 1ozz s HIS 31 Ca -0.05 0.53 -0.31 0.00 -0.80 0.00 0.00 55.06 54.43 1ozz s HIS 31 Cb -0.01 0.08 -0.05 0.00 -1.43 0.00 0.00 32.58 31.17 1ozz s HIS 31 CO 0.04 -0.18 1.21 0.00 -2.00 0.00 0.00 174.74 173.81 1ozz n GLY 33 N 3.25 5.45 7.00 0.00 0.00 0.17 -4.60 105.19 116.45 1ozz n GLY 33 Ca 0.09 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 -4.58 1.61 7.64 -1.26 -2.33 113.62 114.70 1ozz n SER 34 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1ozz n SER 34 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.00 1.65 0.00 1.43 5.36 -1.26 -4.38 117.98 120.78 1ozz s PHE 35 Ca 0.00 0.79 0.00 0.00 -0.96 0.00 0.00 56.93 56.76 1ozz s PHE 35 Cb 0.00 -4.05 0.00 0.00 -0.34 0.00 0.00 43.02 38.63 1ozz s PHE 35 CO 0.00 -2.69 0.00 0.00 -1.46 0.00 0.00 175.22 171.07 1ozz n ALA 36 N 11.90 0.00 -2.28 11.12 0.00 -1.26 -1.78 120.51 138.20 1ozz n ALA 36 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.66 1ozz n ALA 36 Cb 0.50 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.97 1ozz n ALA 36 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ozz n ASN 37 N 1.53 -0.55 0.01 0.00 0.23 -1.14 -4.60 115.26 110.74 1ozz n ASN 37 Ca 0.00 -1.29 -0.14 0.00 -0.53 0.00 0.00 54.58 52.62 1ozz n ASN 37 Cb 0.00 0.24 -0.03 0.00 -2.08 0.00 0.00 39.78 37.91 1ozz n ASN 37 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 1ozz h VAL 38 N 1.83 1.32 -3.15 3.53 -1.51 -0.94 -3.39 116.25 113.93 1ozz h VAL 38 Ca -0.21 -2.04 -0.66 0.00 -1.23 0.00 0.00 66.70 62.56 1ozz h VAL 38 Cb 1.04 2.03 -0.12 0.00 -2.13 0.00 0.00 31.29 32.12 1ozz h VAL 38 CO -0.09 0.63 -0.59 0.20 -1.23 0.00 0.00 177.57 176.49 1ozz s ASN 39 N -7.05 5.55 -0.28 4.19 0.01 -1.20 0.00 114.94 116.15 1ozz s ASN 39 Ca -0.08 0.16 -0.21 0.00 -0.71 0.00 0.00 52.86 52.02 1ozz s ASN 39 Cb 0.09 -1.59 -0.01 0.00 0.41 0.00 0.00 41.25 40.15 1ozz s ASN 39 CO 0.88 0.32 0.64 0.00 -1.51 0.00 0.00 177.10 177.43 1ozz s TRP 41 N 2.59 2.85 0.18 0.00 0.52 -0.15 -2.69 118.94 122.23 1ozz s TRP 41 Ca 0.26 -1.28 -0.30 0.00 0.02 0.00 0.00 56.10 54.80 1ozz s TRP 41 Cb -0.15 -1.98 -0.07 0.00 -1.15 0.00 0.00 33.47 30.11 1ozz s TRP 41 CO 0.10 -0.66 0.98 0.00 0.02 0.00 0.00 176.95 177.40 1ozz s GLU 43 N -0.55 4.33 0.00 0.00 0.41 0.32 -2.13 118.70 121.08 1ozz s GLU 43 Ca 0.45 2.04 0.23 0.00 -0.41 0.00 0.00 54.97 57.28 1ozz s GLU 43 Cb -0.26 -3.28 0.18 0.00 -1.78 0.00 0.00 34.13 29.00 1ozz s GLU 43 CO 0.32 -0.43 1.24 2.41 -0.49 0.00 0.00 175.26 178.31