#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p0a s LYS 2 N 0.00 4.30 -0.38 -1.24 -2.85 0.17 -4.77 119.74 114.98 1p0a s LYS 2 Ca 0.00 0.79 -0.20 0.00 -1.00 0.00 0.00 55.97 55.56 1p0a s LYS 2 Cb 0.00 -3.30 0.01 0.00 -2.06 0.00 0.00 37.83 32.48 1p0a s LYS 2 CO 0.00 0.48 0.59 -1.17 0.10 0.00 0.00 175.35 175.35 1p0a s LEU 3 N -0.61 4.39 -0.17 2.77 2.96 -1.26 -0.86 118.68 125.90 1p0a s LEU 3 Ca 0.31 -0.10 0.15 0.00 -0.22 0.00 0.00 54.13 54.27 1p0a s LEU 3 Cb -0.19 -2.69 -0.21 0.00 0.50 0.00 0.00 46.19 43.60 1p0a s LEU 3 CO 0.19 -0.62 0.06 2.30 -1.32 0.00 0.00 176.35 176.96 1p0a n ILE 4 N 5.61 1.17 0.00 6.68 -5.35 -1.15 -5.05 119.36 121.28 1p0a n ILE 4 Ca -0.03 -0.72 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 1p0a n ILE 4 Cb 0.48 -0.55 0.00 0.00 -1.74 0.00 0.00 39.64 37.83 1p0a n ILE 4 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p0a n GLY 5 N 1.95 -0.99 3.14 3.28 0.00 -1.26 -4.97 105.19 106.34 1p0a n GLY 5 Ca -0.28 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 1p0a n GLY 5 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p0a s SER 6 N -4.00 -0.27 -0.18 1.61 0.15 -0.39 -0.02 113.70 110.60 1p0a s SER 6 Ca 0.00 0.51 -0.02 0.00 0.70 0.00 0.00 55.95 57.14 1p0a s SER 6 Cb 0.00 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.87 1p0a s SER 6 CO 0.00 -0.09 2.42 0.00 1.20 0.00 0.00 173.24 176.77 1p0a s VAL 8 N -0.96 2.10 -0.74 0.00 1.01 -1.26 -5.02 120.40 115.52 1p0a s VAL 8 Ca 0.32 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1p0a s VAL 8 Cb 0.20 -1.76 -0.17 0.00 0.00 0.00 0.00 36.38 34.65 1p0a s VAL 8 CO -0.04 0.57 3.29 0.79 0.00 0.00 0.00 175.10 179.71 1p0a n TRP 9 N 2.92 1.15 -2.62 5.22 7.02 -1.26 -3.64 117.44 126.23 1p0a n TRP 9 Ca -0.17 -2.23 -0.03 0.00 -1.02 0.00 0.00 57.50 54.05 1p0a n TRP 9 Cb 0.52 -1.98 0.04 0.00 -2.42 0.00 0.00 31.31 27.47 1p0a n TRP 9 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1p0a n GLY 10 N 2.87 0.00 3.48 6.99 0.00 -1.26 -5.14 105.19 112.13 1p0a n GLY 10 Ca 0.59 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 1p0a n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p0a s ALA 11 N 0.06 -1.48 0.00 4.61 0.00 -1.24 -5.04 121.76 118.68 1p0a s ALA 11 Ca 0.06 1.49 -0.03 0.00 0.00 0.00 0.00 51.96 53.48 1p0a s ALA 11 Cb 0.16 -0.69 -0.13 0.00 0.00 0.00 0.00 23.12 22.46 1p0a s ALA 11 CO -0.04 -0.30 2.70 0.28 0.00 0.00 0.00 175.76 178.40 1p0a n VAL 12 N 2.25 2.38 -1.94 0.00 0.31 -1.26 -2.88 118.33 117.20 1p0a n VAL 12 Ca -0.15 -0.96 -0.06 0.00 -0.01 0.00 0.00 64.34 63.16 1p0a n VAL 12 Cb 0.56 -1.73 -0.05 0.00 -0.91 0.00 0.00 33.84 31.71 1p0a n VAL 12 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1p0a n ASN 13 N 2.03 -0.86 -4.70 4.52 0.23 -1.26 -5.08 115.26 110.14 1p0a n ASN 13 Ca 0.21 -1.70 -0.42 0.00 -0.53 0.00 0.00 54.58 52.14 1p0a n ASN 13 Cb 0.68 0.26 -0.03 0.00 -2.08 0.00 0.00 39.78 38.61 1p0a n ASN 13 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1p0a s TYR 14 N 0.00 3.59 -0.05 -2.53 5.04 -1.14 -1.26 117.35 121.00 1p0a s TYR 14 Ca 0.00 1.57 -0.01 0.00 -2.44 0.00 0.00 57.07 56.19 1p0a s TYR 14 Cb 0.01 -3.08 -0.04 0.00 0.35 0.00 0.00 41.96 39.21 1p0a s TYR 14 CO -0.00 -0.06 0.03 -0.08 -1.34 0.00 0.00 175.55 174.10 1p0a s THR 15 N 1.30 4.50 0.23 4.34 -1.32 -1.24 -4.97 115.64 118.48 1p0a s THR 15 Ca 0.48 -0.31 -0.07 0.00 -1.21 0.00 0.00 61.69 60.58 1p0a s THR 15 Cb -0.19 -2.96 0.22 0.00 -1.51 0.00 0.00 72.50 68.05 1p0a s THR 15 CO 0.23 0.50 1.68 0.28 -2.21 0.00 0.00 174.62 175.10 1p0a h SER 16 N 4.73 -0.08 -3.26 8.08 0.02 -1.96 -3.40 113.55 117.69 1p0a h SER 16 Ca -0.50 0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 60.44 1p0a h SER 16 Cb 1.19 0.22 -0.28 0.00 0.14 0.00 0.00 62.40 63.66 1p0a h SER 16 CO 0.57 -0.06 -0.39 0.20 -1.14 0.00 0.00 176.83 176.02 1p0a s ASN 17 N -5.25 -0.38 0.22 3.07 0.01 -1.26 -5.04 114.94 106.31 1p0a s ASN 17 Ca -0.13 0.72 -0.09 0.00 -0.71 0.00 0.00 52.86 52.65 1p0a s ASN 17 Cb 0.20 0.62 0.20 0.00 0.41 0.00 0.00 41.25 42.68 1p0a s ASN 17 CO 0.75 -0.18 1.87 0.00 -1.51 0.00 0.00 177.10 178.03 1p0a h ASN 19 N 1.01 0.24 0.05 0.00 -0.00 -1.95 -3.26 115.58 111.68 1p0a h ASN 19 Ca 0.30 -0.70 0.03 0.00 -0.00 0.00 0.00 56.30 55.93 1p0a h ASN 19 Cb -0.04 -0.07 -0.05 0.00 -0.00 0.00 0.00 38.32 38.16 1p0a h ASN 19 CO -0.09 0.91 -0.34 0.00 -0.00 0.00 0.00 177.43 177.91 1p0a h ALA 20 N 0.34 -0.53 0.23 1.57 0.00 -1.93 0.51 119.26 119.45 1p0a h ALA 20 Ca -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1p0a h ALA 20 Cb 0.92 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1p0a h ALA 20 CO 0.05 -0.87 -0.34 1.49 0.00 0.00 0.00 179.25 179.58 1p0a h GLU 21 N -0.52 -0.61 -0.38 0.00 4.57 -1.53 0.41 114.58 116.51 1p0a h GLU 21 Ca 0.05 0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1p0a h GLU 21 Cb 0.58 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 1p0a h GLU 21 CO -0.24 -0.41 0.01 0.00 -1.18 0.00 0.00 179.01 177.19 1p0a h LYS 23 N 0.58 0.98 -0.28 0.00 1.63 0.48 0.18 116.57 120.13 1p0a h LYS 23 Ca 0.12 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1p0a h LYS 23 Cb 0.35 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1p0a h LYS 23 CO 0.01 0.80 0.13 0.00 -3.45 0.00 0.00 179.45 176.93 1p0a h ARG 24 N 0.93 0.40 -0.59 1.90 3.08 -0.41 -2.68 114.38 117.01 1p0a h ARG 24 Ca 0.23 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 1p0a h ARG 24 Cb 0.16 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1p0a h ARG 24 CO -0.02 0.40 0.37 0.07 -1.07 0.00 0.00 179.97 179.71 1p0a h ARG 25 N 0.31 0.79 0.00 0.04 0.11 -0.43 -3.47 114.38 111.73 1p0a h ARG 25 Ca 0.09 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1p0a h ARG 25 Cb 0.13 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.04 1p0a h ARG 25 CO -0.01 0.55 0.00 0.41 0.10 0.00 0.00 179.97 181.02 1p0a n GLY 26 N -1.38 0.83 2.49 0.08 0.00 0.58 -5.08 105.19 102.71 1p0a n GLY 26 Ca 0.06 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1p0a n GLY 26 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1p0a n TYR 27 N 0.00 -0.22 -0.06 1.61 4.11 -0.88 -5.02 117.16 116.69 1p0a n TYR 27 Ca 0.00 -1.60 -0.12 0.00 -0.00 0.00 0.00 57.90 56.19 1p0a n TYR 27 Cb 0.00 -0.27 -0.11 0.00 -0.00 0.00 0.00 39.34 38.96 1p0a n TYR 27 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.86 177.73 1p0a h LYS 28 N 0.00 -0.00 -1.40 -3.48 1.57 -1.30 -3.45 116.57 108.51 1p0a h LYS 28 Ca -0.25 0.00 0.28 0.00 -1.87 0.00 0.00 60.65 58.81 1p0a h LYS 28 Cb 0.85 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.98 1p0a h LYS 28 CO 0.41 0.82 0.84 0.20 -0.57 0.00 0.00 179.45 181.14 1p0a s GLY 29 N -4.09 -0.30 0.07 3.86 0.00 -1.22 -5.05 107.32 100.60 1p0a s GLY 29 Ca -0.16 1.48 -0.06 0.00 0.00 0.00 0.00 44.72 45.98 1p0a s GLY 29 CO 0.57 0.47 0.11 -0.32 0.00 0.00 0.00 173.10 173.93 1p0a s GLY 30 N -2.31 0.22 0.00 0.20 0.00 -1.26 -0.09 107.32 104.08 1p0a s GLY 30 Ca 0.11 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1p0a s GLY 30 CO -0.04 -0.97 0.21 -2.39 0.00 0.00 0.00 173.10 169.91 1p0a n HIS 31 N 0.04 0.00 0.00 1.90 1.44 -1.18 -4.71 115.22 112.70 1p0a n HIS 31 Ca -0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.56 1p0a n HIS 31 Cb 0.62 0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.75 1p0a n HIS 31 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1p0a s GLY 33 N 0.00 0.77 -0.24 0.00 0.00 -1.18 -3.35 107.32 103.33 1p0a s GLY 33 Ca 0.00 -0.75 0.12 0.00 0.00 0.00 0.00 44.72 44.10 1p0a s GLY 33 CO 0.00 -0.68 1.35 1.44 0.00 0.00 0.00 173.10 175.21 1p0a n SER 34 N 2.28 -0.83 -2.69 1.64 7.64 -1.24 -4.89 113.62 115.53 1p0a n SER 34 Ca -0.16 -2.13 -0.05 0.00 1.01 0.00 0.00 58.87 57.54 1p0a n SER 34 Cb 0.55 0.40 0.05 0.00 -1.01 0.00 0.00 64.21 64.20 1p0a n SER 34 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1p0a n PHE 35 N -0.98 -1.53 0.00 1.43 7.35 -1.26 -4.97 117.46 117.49 1p0a n PHE 35 Ca -0.16 -0.99 0.00 0.00 -0.76 0.00 0.00 57.45 55.55 1p0a n PHE 35 Cb 0.84 1.24 0.00 0.00 0.35 0.00 0.00 39.48 41.91 1p0a n PHE 35 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1p0a n LEU 36 N 1.94 0.00 -4.71 -2.13 4.77 -1.26 -4.91 117.00 110.69 1p0a n LEU 36 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 1p0a n LEU 36 Cb 0.66 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1p0a n LEU 36 CO -0.08 0.00 1.07 0.20 -1.33 0.00 0.00 177.39 177.25 1p0a s ASN 37 N 0.00 6.82 0.00 -1.43 0.02 -1.26 -4.90 114.94 114.20 1p0a s ASN 37 Ca 0.00 2.32 0.14 0.00 -1.02 0.00 0.00 52.86 54.30 1p0a s ASN 37 Cb 0.00 -2.59 -0.02 0.00 0.02 0.00 0.00 41.25 38.66 1p0a s ASN 37 CO 0.00 -0.66 0.75 1.33 0.02 0.00 0.00 177.10 178.54 1p0a n VAL 38 N 3.98 0.00 -2.33 1.60 0.24 -1.26 -3.60 118.33 116.95 1p0a n VAL 38 Ca 0.12 -0.34 -0.37 0.00 -2.04 0.00 0.00 64.34 61.71 1p0a n VAL 38 Cb 0.42 1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 33.92 1p0a n VAL 38 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1p0a s ASN 39 N -1.77 6.42 -0.57 -1.34 0.01 -1.26 -2.50 114.94 113.93 1p0a s ASN 39 Ca 0.11 2.26 -0.27 0.00 -0.71 0.00 0.00 52.86 54.24 1p0a s ASN 39 Cb 0.11 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 39.20 1p0a s ASN 39 CO 0.37 -0.74 1.14 0.00 -1.51 0.00 0.00 177.10 176.37 1p0a s TRP 41 N 4.75 3.22 -0.19 0.00 0.52 -1.21 -2.94 118.94 123.09 1p0a s TRP 41 Ca 0.41 -0.20 -0.07 0.00 0.02 0.00 0.00 56.10 56.25 1p0a s TRP 41 Cb -0.08 -2.46 -0.04 0.00 -1.15 0.00 0.00 33.47 29.74 1p0a s TRP 41 CO 0.24 -0.35 0.06 0.00 0.02 0.00 0.00 176.95 176.93 1p0a s GLU 43 N 0.56 4.35 0.00 0.00 2.02 0.88 0.46 118.70 126.97 1p0a s GLU 43 Ca 0.03 1.35 0.06 0.00 0.02 0.00 0.00 54.97 56.43 1p0a s GLU 43 Cb -0.13 -3.58 0.38 0.00 0.10 0.00 0.00 34.13 30.90 1p0a s GLU 43 CO 0.01 -0.43 0.84 0.25 0.02 0.00 0.00 175.26 175.95