#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 4.47 -0.22 -1.24 2.47 -0.80 -4.77 119.74 119.65 1p0a s LYS 2 Ca 0.00 1.00 -0.19 0.00 -1.56 0.00 0.00 55.97 55.22 1p0a s LYS 2 Cb 0.00 -3.44 -0.03 0.00 -1.46 0.00 0.00 37.83 32.91 1p0a s LYS 2 CO 0.00 0.08 0.56 -1.17 0.16 0.00 0.00 175.35 174.98 1p0a s LEU 3 N 0.70 4.11 -0.09 5.43 2.96 -1.26 0.17 118.68 130.69 1p0a s LEU 3 Ca 0.40 0.67 0.00 0.00 -0.22 0.00 0.00 54.13 54.99 1p0a s LEU 3 Cb -0.19 -2.76 -0.06 0.00 0.50 0.00 0.00 46.19 43.69 1p0a s LEU 3 CO 0.21 -0.26 -0.08 2.30 -1.32 0.00 0.00 176.35 177.20 1p0a n ILE 4 N 4.84 0.51 0.00 6.68 -5.35 -1.04 -5.01 119.36 119.98 1p0a n ILE 4 Ca -0.03 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1p0a n ILE 4 Cb 0.50 -0.87 0.00 0.00 -1.74 0.00 0.00 39.64 37.53 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 3.03 2.52 3.07 3.28 0.00 -1.25 -5.01 105.19 110.84 1p0a n GLY 5 Ca -0.16 0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 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 2.00 1.18 -0.11 1.61 0.15 0.94 -0.78 113.70 118.69 1p0a s SER 6 Ca 0.00 -0.39 0.08 0.00 0.70 0.00 0.00 55.95 56.34 1p0a s SER 6 Cb 0.00 -0.06 -0.24 0.00 -1.71 0.00 0.00 66.02 64.02 1p0a s SER 6 CO 0.00 -0.02 0.40 0.00 1.20 0.00 0.00 173.24 174.82 1p0a s VAL 8 N -2.56 2.74 -0.38 0.00 1.01 -1.23 -4.37 120.40 115.61 1p0a s VAL 8 Ca -0.13 0.62 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 1p0a s VAL 8 Cb 0.07 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1p0a s VAL 8 CO 0.79 0.10 1.47 0.86 0.00 0.00 0.00 175.10 178.32 1p0a s TRP 9 N 0.06 2.32 0.00 5.22 -0.00 -1.26 -4.12 118.94 121.16 1p0a s TRP 9 Ca 0.59 0.67 0.00 0.00 -0.00 0.00 0.00 56.10 57.37 1p0a s TRP 9 Cb -0.41 -4.24 0.00 0.00 -0.00 0.00 0.00 33.47 28.82 1p0a s TRP 9 CO 0.42 -2.15 0.00 0.41 -0.00 0.00 0.00 176.95 175.63 1p0a n GLY 10 N 5.06 0.08 3.40 5.86 0.00 -1.26 -5.17 105.19 113.16 1p0a n GLY 10 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.32 0.09 4.61 0.00 -1.26 -5.06 121.76 118.77 1p0a s ALA 11 Ca 0.00 0.95 -0.24 0.00 0.00 0.00 0.00 51.96 52.67 1p0a s ALA 11 Cb 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 23.12 22.89 1p0a s ALA 11 CO 0.00 -0.31 1.72 0.28 0.00 0.00 0.00 175.76 177.45 1p0a h VAL 12 N 3.52 0.90 0.00 0.00 2.07 -1.99 -2.86 116.25 117.90 1p0a h VAL 12 Ca -0.28 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 1p0a h VAL 12 Cb 1.16 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 1p0a h VAL 12 CO 0.36 0.00 -0.27 -0.46 0.02 0.00 0.00 177.57 177.22 1p0a n ASN 13 N -5.15 5.26 -4.75 0.57 2.04 -1.26 -4.93 115.26 107.05 1p0a n ASN 13 Ca -0.07 -2.46 -0.41 0.00 -0.44 0.00 0.00 54.58 51.20 1p0a n ASN 13 Cb 0.08 -1.33 -0.02 0.00 -2.53 0.00 0.00 39.78 35.98 1p0a n ASN 13 CO 0.00 0.00 0.00 -0.47 -0.44 0.00 0.00 177.26 176.35 1p0a s TYR 14 N 0.70 3.03 0.27 -2.53 5.04 -1.08 -0.04 117.35 122.74 1p0a s TYR 14 Ca 0.47 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 56.27 1p0a s TYR 14 Cb 0.22 -3.77 0.00 0.00 0.35 0.00 0.00 41.96 38.77 1p0a s TYR 14 CO 0.00 -2.36 0.00 2.41 -1.34 0.00 0.00 175.55 174.26 1p0a n THR 15 N 1.81 0.00 0.00 4.34 -1.04 -0.50 -4.84 114.28 114.05 1p0a n THR 15 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1p0a n THR 15 Cb 0.41 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 1p0a n THR 15 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1p0a n SER 16 N -3.19 0.00 -3.43 8.00 7.64 -1.11 -4.65 113.62 116.88 1p0a n SER 16 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1p0a n SER 16 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1p0a n SER 16 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1p0a n ASN 17 N 1.22 7.89 -0.10 6.43 4.13 -1.26 -4.68 115.26 128.89 1p0a n ASN 17 Ca 0.00 -2.79 -0.08 0.00 1.68 0.00 0.00 54.58 53.39 1p0a n ASN 17 Cb 0.00 -1.51 0.00 0.00 -1.54 0.00 0.00 39.78 36.73 1p0a n ASN 17 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p0a h ASN 19 N 0.40 -0.39 -0.03 0.00 -0.00 -1.80 0.50 115.58 114.25 1p0a h ASN 19 Ca 0.14 0.12 -0.00 0.00 -0.00 0.00 0.00 56.30 56.56 1p0a h ASN 19 Cb 0.02 0.26 -0.00 0.00 -0.00 0.00 0.00 38.32 38.60 1p0a h ASN 19 CO -0.08 -0.14 0.01 0.00 -0.00 0.00 0.00 177.43 177.22 1p0a h ALA 20 N 1.39 0.04 0.28 1.57 0.00 -1.86 -0.75 119.26 119.93 1p0a h ALA 20 Ca 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1p0a h ALA 20 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1p0a h ALA 20 CO -0.42 -0.36 -0.13 1.49 0.00 0.00 0.00 179.25 179.83 1p0a h GLU 21 N -0.14 -0.36 -0.29 0.00 4.57 -0.93 -1.50 114.58 115.93 1p0a h GLU 21 Ca 0.01 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1p0a h GLU 21 Cb 0.20 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1p0a h GLU 21 CO -0.00 -0.14 0.16 0.00 -1.18 0.00 0.00 179.01 177.84 1p0a h LYS 23 N 0.35 1.12 -0.06 0.00 3.64 -1.15 0.15 116.57 120.62 1p0a h LYS 23 Ca 0.10 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1p0a h LYS 23 Cb 0.08 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1p0a h LYS 23 CO -0.02 0.78 0.01 -0.09 -2.27 0.00 0.00 179.45 177.87 1p0a h ARG 24 N 1.14 0.04 -0.97 1.90 2.43 -1.04 -2.46 114.38 115.41 1p0a h ARG 24 Ca 0.30 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.52 1p0a h ARG 24 Cb -0.06 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.42 1p0a h ARG 24 CO -0.06 0.03 0.63 0.00 -1.51 0.00 0.00 179.97 179.06 1p0a h ARG 25 N 0.04 1.12 0.00 0.20 3.08 -0.99 -3.45 114.38 114.38 1p0a h ARG 25 Ca 0.03 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1p0a h ARG 25 Cb 0.02 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.82 1p0a h ARG 25 CO -0.03 0.74 0.00 0.41 -1.07 0.00 0.00 179.97 180.02 1p0a n GLY 26 N -1.38 -0.92 3.89 0.04 0.00 -0.65 -5.12 105.19 101.06 1p0a n GLY 26 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1p0a n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p0a s TYR 27 N -0.07 3.34 0.17 1.61 1.51 0.44 -4.97 117.35 119.38 1p0a s TYR 27 Ca 0.00 0.93 -0.16 0.00 -1.01 0.00 0.00 57.07 56.83 1p0a s TYR 27 Cb 0.00 -2.89 0.11 0.00 -0.11 0.00 0.00 41.96 39.07 1p0a s TYR 27 CO 0.00 -0.97 1.68 0.87 -1.11 0.00 0.00 175.55 176.02 1p0a h LYS 28 N -0.42 0.05 0.00 -0.62 1.79 -1.79 -3.35 116.57 112.22 1p0a h LYS 28 Ca -0.45 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1p0a h LYS 28 Cb 1.25 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1p0a h LYS 28 CO 0.63 0.04 0.00 0.41 -1.08 0.00 0.00 179.45 179.44 1p0a n GLY 29 N -1.29 0.94 3.61 3.86 0.00 -1.20 -4.82 105.19 106.29 1p0a n GLY 29 Ca 0.03 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 1p0a n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p0a s GLY 30 N 0.00 -0.25 0.00 -0.02 0.00 -1.26 -1.15 107.32 104.64 1p0a s GLY 30 Ca 0.00 2.36 0.00 0.00 0.00 0.00 0.00 44.72 47.08 1p0a s GLY 30 CO 0.00 1.56 0.00 -2.39 0.00 0.00 0.00 173.10 172.27 1p0a n HIS 31 N 1.78 0.00 -3.68 1.90 1.44 -0.98 -4.23 115.22 111.44 1p0a n HIS 31 Ca -0.12 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.37 1p0a n HIS 31 Cb 0.56 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.72 1p0a n HIS 31 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1p0a n GLY 33 N -1.54 0.54 0.00 0.00 0.00 -1.26 -4.26 105.19 98.67 1p0a n GLY 33 Ca -0.23 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1p0a n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1p0a n SER 34 N 4.87 0.00 -3.70 1.61 7.64 -1.26 -5.07 113.62 117.71 1p0a n SER 34 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1p0a n SER 34 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1p0a n SER 34 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1p0a s PHE 35 N -0.08 -0.61 -0.62 1.43 5.36 -1.26 -4.94 117.98 117.26 1p0a s PHE 35 Ca 0.00 1.34 -0.03 0.00 -0.96 0.00 0.00 56.93 57.28 1p0a s PHE 35 Cb 0.00 0.26 -0.04 0.00 -0.34 0.00 0.00 43.02 42.91 1p0a s PHE 35 CO 0.00 -0.32 0.55 1.28 -1.46 0.00 0.00 175.22 175.27 1p0a n LEU 36 N 3.77 -4.41 -3.36 6.12 4.77 -1.26 -4.83 117.00 117.79 1p0a n LEU 36 Ca -0.20 -0.37 -0.30 0.00 -0.03 0.00 0.00 56.01 55.11 1p0a n LEU 36 Cb 0.56 -2.24 -0.04 0.00 -2.33 0.00 0.00 43.42 39.36 1p0a n LEU 36 CO 0.08 -0.08 1.92 -0.46 -1.33 0.00 0.00 177.39 177.53 1p0a n ASN 37 N -2.38 2.64 -0.04 -1.43 0.23 -1.26 -4.51 115.26 108.51 1p0a n ASN 37 Ca -0.04 -2.43 -0.20 0.00 -0.53 0.00 0.00 54.58 51.39 1p0a n ASN 37 Cb 0.56 -0.91 -0.13 0.00 -2.08 0.00 0.00 39.78 37.22 1p0a n ASN 37 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 1p0a h VAL 38 N 4.15 1.23 -3.11 3.53 -1.51 -1.88 -3.26 116.25 115.40 1p0a h VAL 38 Ca 0.35 -2.34 -0.61 0.00 -1.23 0.00 0.00 66.70 62.87 1p0a h VAL 38 Cb 0.41 2.79 -0.09 0.00 -2.13 0.00 0.00 31.29 32.27 1p0a h VAL 38 CO 1.66 0.58 -0.38 0.20 -1.23 0.00 0.00 177.57 178.40 1p0a s ASN 39 N -6.78 6.42 -1.13 4.19 0.01 -1.26 -1.68 114.94 114.70 1p0a s ASN 39 Ca -0.21 0.49 -0.22 0.00 -0.71 0.00 0.00 52.86 52.21 1p0a s ASN 39 Cb 0.03 -2.15 -0.03 0.00 0.41 0.00 0.00 41.25 39.51 1p0a s ASN 39 CO 0.71 0.21 1.84 0.00 -1.51 0.00 0.00 177.10 178.35 1p0a s TRP 41 N 8.69 3.37 0.15 0.00 0.52 -1.26 -2.51 118.94 127.91 1p0a s TRP 41 Ca 0.63 1.19 -0.29 0.00 0.02 0.00 0.00 56.10 57.65 1p0a s TRP 41 Cb -0.01 -3.02 -0.07 0.00 -1.15 0.00 0.00 33.47 29.22 1p0a s TRP 41 CO 0.07 -0.31 0.92 0.00 0.02 0.00 0.00 176.95 177.64 1p0a s GLU 43 N -0.53 3.50 0.00 0.00 2.02 -0.30 -1.90 118.70 121.50 1p0a s GLU 43 Ca 0.43 1.76 0.00 0.00 0.02 0.00 0.00 54.97 57.18 1p0a s GLU 43 Cb -0.24 -4.19 0.00 0.00 0.10 0.00 0.00 34.13 29.80 1p0a s GLU 43 CO 0.30 -1.66 0.00 2.41 0.02 0.00 0.00 175.26 176.33