#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 0.54 -0.08 0.11 1.02 -0.63 -4.90 119.74 115.79 1p0a s LYS 2 Ca 0.00 -0.25 -0.22 0.00 0.02 0.00 0.00 55.97 55.52 1p0a s LYS 2 Cb 0.00 -0.52 -0.04 0.00 -0.52 0.00 0.00 37.83 36.75 1p0a s LYS 2 CO 0.00 0.14 0.65 -1.17 -0.92 0.00 0.00 175.35 174.05 1p0a s LEU 3 N -0.19 4.30 -0.08 3.17 2.96 -1.26 -0.31 118.68 127.27 1p0a s LEU 3 Ca 0.02 1.09 0.04 0.00 -0.22 0.00 0.00 54.13 55.07 1p0a s LEU 3 Cb -0.03 -2.99 -0.08 0.00 0.50 0.00 0.00 46.19 43.59 1p0a s LEU 3 CO -0.00 -0.10 -0.01 2.30 -1.32 0.00 0.00 176.35 177.22 1p0a n ILE 4 N 3.80 0.49 -2.45 6.68 -5.35 -1.05 -5.00 119.36 116.49 1p0a n ILE 4 Ca -0.02 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1p0a n ILE 4 Cb 0.51 -0.81 0.00 0.00 -1.74 0.00 0.00 39.64 37.60 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 2.73 1.22 3.86 3.28 0.00 -1.26 -5.03 105.19 109.99 1p0a n GLY 5 Ca -0.13 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 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 6.26 0.00 1.61 0.15 0.96 -0.63 113.70 124.05 1p0a s SER 6 Ca 0.00 0.43 0.22 0.00 0.70 0.00 0.00 55.95 57.30 1p0a s SER 6 Cb 0.00 -2.00 -0.02 0.00 -1.71 0.00 0.00 66.02 62.29 1p0a s SER 6 CO 0.00 0.40 1.05 0.00 1.20 0.00 0.00 173.24 175.89 1p0a s VAL 8 N -2.95 3.36 0.20 0.00 1.01 -1.19 -4.85 120.40 115.98 1p0a s VAL 8 Ca 0.10 1.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.82 1p0a s VAL 8 Cb 0.17 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 1p0a s VAL 8 CO 0.80 0.12 1.29 0.26 0.00 0.00 0.00 175.10 177.57 1p0a s TRP 9 N 0.59 3.28 0.00 5.22 0.52 -1.26 -2.39 118.94 124.90 1p0a s TRP 9 Ca 0.60 1.26 0.00 0.00 0.02 0.00 0.00 56.10 57.98 1p0a s TRP 9 Cb -0.36 -3.58 0.00 0.00 -1.15 0.00 0.00 33.47 28.39 1p0a s TRP 9 CO 0.34 -1.77 0.00 0.41 0.02 0.00 0.00 176.95 175.95 1p0a n GLY 10 N 2.28 2.23 3.76 0.98 0.00 -1.26 -5.02 105.19 108.15 1p0a n GLY 10 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.47 2.62 0.14 4.61 0.00 -1.00 -4.94 121.76 120.73 1p0a s ALA 11 Ca 0.00 1.03 -0.17 0.00 0.00 0.00 0.00 51.96 52.82 1p0a s ALA 11 Cb 0.00 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1p0a s ALA 11 CO 0.00 -1.12 1.80 0.28 0.00 0.00 0.00 175.76 176.71 1p0a h VAL 12 N 1.06 1.09 -0.41 0.00 2.07 -1.95 -2.27 116.25 115.84 1p0a h VAL 12 Ca -0.50 -0.17 -0.19 0.00 0.82 0.00 0.00 66.70 66.66 1p0a h VAL 12 Cb 1.29 0.61 -0.11 0.00 -1.52 0.00 0.00 31.29 31.57 1p0a h VAL 12 CO 0.56 0.09 0.24 0.59 0.02 0.00 0.00 177.57 179.06 1p0a n ASN 13 N -4.85 3.29 -4.68 0.57 4.13 -1.26 -4.91 115.26 107.55 1p0a n ASN 13 Ca -0.01 -2.66 -0.42 0.00 1.68 0.00 0.00 54.58 53.17 1p0a n ASN 13 Cb 0.03 -0.64 -0.03 0.00 -1.54 0.00 0.00 39.78 37.60 1p0a n ASN 13 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1p0a s TYR 14 N -1.52 2.97 -0.25 3.10 5.04 -0.85 -0.03 117.35 125.81 1p0a s TYR 14 Ca 0.25 1.03 0.14 0.00 -2.44 0.00 0.00 57.07 56.04 1p0a s TYR 14 Cb 0.21 -3.52 0.78 0.00 0.35 0.00 0.00 41.96 39.78 1p0a s TYR 14 CO 0.05 -1.77 1.73 -2.37 -1.34 0.00 0.00 175.55 171.85 1p0a n THR 15 N 4.88 2.76 0.00 4.34 5.66 -1.16 -4.94 114.28 125.82 1p0a n THR 15 Ca 0.12 -1.51 0.00 0.00 -3.05 0.00 0.00 64.05 59.62 1p0a n THR 15 Cb 0.45 -0.29 0.00 0.00 -1.55 0.00 0.00 70.33 68.94 1p0a n THR 15 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1p0a n SER 16 N 0.38 0.00 -3.53 1.09 2.88 -1.26 -4.57 113.62 108.60 1p0a n SER 16 Ca 0.29 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.80 1p0a n SER 16 Cb 1.21 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.61 1p0a n SER 16 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1p0a s ASN 17 N 0.00 -0.73 -0.00 -3.46 3.84 -1.26 -5.06 114.94 108.28 1p0a s ASN 17 Ca 0.00 1.10 -0.25 0.00 0.21 0.00 0.00 52.86 53.92 1p0a s ASN 17 Cb 0.00 1.83 -0.18 0.00 -0.55 0.00 0.00 41.25 42.34 1p0a s ASN 17 CO 0.00 -0.24 1.31 0.00 -2.79 0.00 0.00 177.10 175.38 1p0a h ASN 19 N -0.50 0.12 -0.52 0.00 -0.00 -1.88 0.20 115.58 113.01 1p0a h ASN 19 Ca -0.01 0.13 0.02 0.00 -0.00 0.00 0.00 56.30 56.44 1p0a h ASN 19 Cb 0.42 0.15 -0.03 0.00 -0.00 0.00 0.00 38.32 38.86 1p0a h ASN 19 CO 0.02 0.02 0.31 0.00 -0.00 0.00 0.00 177.43 177.77 1p0a h ALA 20 N 1.58 0.66 -0.32 1.57 0.00 -1.92 0.30 119.26 121.14 1p0a h ALA 20 Ca 0.42 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 1p0a h ALA 20 Cb 0.68 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1p0a h ALA 20 CO -0.47 0.02 -0.12 1.49 0.00 0.00 0.00 179.25 180.17 1p0a h GLU 21 N 0.62 0.65 -0.18 0.00 4.81 -1.03 -2.23 114.58 117.21 1p0a h GLU 21 Ca 0.21 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1p0a h GLU 21 Cb 0.02 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1p0a h GLU 21 CO -0.09 0.85 0.12 0.00 -0.73 0.00 0.00 179.01 179.15 1p0a h LYS 23 N 0.24 0.08 -0.09 0.00 1.63 -0.37 0.43 116.57 118.48 1p0a h LYS 23 Ca 0.07 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1p0a h LYS 23 Cb -0.02 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 1p0a h LYS 23 CO -0.01 0.05 -0.01 0.00 -3.45 0.00 0.00 179.45 176.03 1p0a h ARG 24 N 0.08 0.02 -0.45 1.90 3.08 -1.24 -2.55 114.38 115.23 1p0a h ARG 24 Ca 0.08 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.15 1p0a h ARG 24 Cb 0.09 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1p0a h ARG 24 CO -0.12 0.01 0.30 0.00 -1.07 0.00 0.00 179.97 179.09 1p0a h ARG 25 N 0.02 0.52 0.00 0.04 3.08 -0.85 -3.46 114.38 113.73 1p0a h ARG 25 Ca 0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1p0a h ARG 25 Cb 0.06 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1p0a h ARG 25 CO -0.08 0.35 0.00 0.41 -1.07 0.00 0.00 179.97 179.57 1p0a n GLY 26 N -1.48 0.98 3.63 0.04 0.00 -0.24 -5.09 105.19 103.03 1p0a n GLY 26 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.25 2.59 0.25 1.61 1.51 -0.03 -5.01 117.35 117.03 1p0a s TYR 27 Ca 0.00 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.68 1p0a s TYR 27 Cb 0.00 -1.34 0.39 0.00 -0.11 0.00 0.00 41.96 40.90 1p0a s TYR 27 CO 0.00 0.54 1.83 0.87 -1.11 0.00 0.00 175.55 177.68 1p0a h LYS 28 N 1.85 0.87 0.00 -0.62 1.79 -1.27 -3.39 116.57 115.80 1p0a h LYS 28 Ca -0.43 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1p0a h LYS 28 Cb 1.25 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1p0a h LYS 28 CO 0.63 0.58 0.00 0.41 -1.08 0.00 0.00 179.45 179.99 1p0a n GLY 29 N -1.33 -0.81 3.65 3.86 0.00 -1.20 -4.95 105.19 104.40 1p0a n GLY 29 Ca 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 0.37 0.00 -0.02 0.00 -1.26 -0.73 107.32 105.68 1p0a s GLY 30 Ca 0.00 3.55 0.10 0.00 0.00 0.00 0.00 44.72 48.37 1p0a s GLY 30 CO 0.00 1.95 1.00 -2.39 0.00 0.00 0.00 173.10 173.66 1p0a n HIS 31 N 1.59 0.00 -4.64 1.90 1.44 -1.18 -4.27 115.22 110.06 1p0a n HIS 31 Ca -0.10 -0.29 0.00 0.00 -2.01 0.00 0.00 57.72 55.31 1p0a n HIS 31 Cb 0.57 0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.74 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 0.00 -0.45 7.00 0.00 0.00 -1.00 -3.89 105.19 106.85 1p0a n GLY 33 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1p0a n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1p0a n SER 34 N 0.00 0.00 -0.04 1.61 2.88 -1.26 -0.72 113.62 116.09 1p0a n SER 34 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1p0a n SER 34 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1p0a n SER 34 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1p0a h PHE 35 N 0.00 0.14 -0.87 0.66 3.57 -1.99 -3.43 116.94 115.01 1p0a h PHE 35 Ca 0.00 -0.08 -0.36 0.00 3.53 0.00 0.00 57.97 61.06 1p0a h PHE 35 Cb 0.00 -0.02 -0.25 0.00 2.79 0.00 0.00 35.95 38.47 1p0a h PHE 35 CO 0.00 0.89 -0.76 1.47 -2.23 0.00 0.00 178.31 177.68 1p0a n LEU 36 N -4.59 -1.38 -3.29 0.59 -0.00 -1.25 -4.96 117.00 102.13 1p0a n LEU 36 Ca -0.10 -4.03 -0.16 0.00 -0.00 0.00 0.00 56.01 51.73 1p0a n LEU 36 Cb 0.46 0.78 0.08 0.00 -0.00 0.00 0.00 43.42 44.75 1p0a n LEU 36 CO 0.37 2.07 0.09 0.59 -0.00 0.00 0.00 177.39 180.52 1p0a n ASN 37 N 1.16 -2.68 -0.06 1.45 4.13 -0.18 -4.95 115.26 114.13 1p0a n ASN 37 Ca 0.14 -0.60 -0.04 0.00 1.68 0.00 0.00 54.58 55.76 1p0a n ASN 37 Cb 0.62 -4.92 -0.01 0.00 -1.54 0.00 0.00 39.78 33.93 1p0a n ASN 37 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1p0a h VAL 38 N -1.69 0.04 -3.08 2.41 2.07 -1.25 -3.23 116.25 111.51 1p0a h VAL 38 Ca -0.56 -1.04 -0.60 0.00 0.82 0.00 0.00 66.70 65.32 1p0a h VAL 38 Cb 1.32 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1p0a h VAL 38 CO 0.47 0.01 -0.19 0.20 0.02 0.00 0.00 177.57 178.08 1p0a s ASN 39 N -5.70 6.80 -1.29 0.57 -0.87 -1.26 0.12 114.94 113.31 1p0a s ASN 39 Ca -0.10 0.96 -0.19 0.00 -1.57 0.00 0.00 52.86 51.96 1p0a s ASN 39 Cb 0.01 -2.25 0.05 0.00 -0.02 0.00 0.00 41.25 39.05 1p0a s ASN 39 CO 0.16 0.27 1.77 0.00 -2.57 0.00 0.00 177.10 176.73 1p0a s TRP 41 N 5.12 3.14 -0.09 0.00 0.52 -1.25 -2.52 118.94 123.85 1p0a s TRP 41 Ca 0.56 1.10 -0.23 0.00 0.02 0.00 0.00 56.10 57.55 1p0a s TRP 41 Cb 0.04 -3.66 -0.03 0.00 -1.15 0.00 0.00 33.47 28.66 1p0a s TRP 41 CO 0.09 -0.77 0.70 0.00 0.02 0.00 0.00 176.95 176.99 1p0a s GLU 43 N 1.03 4.08 0.00 0.00 2.02 0.09 -1.61 118.70 124.32 1p0a s GLU 43 Ca 0.36 1.81 0.29 0.00 0.02 0.00 0.00 54.97 57.45 1p0a s GLU 43 Cb -0.17 -3.91 1.22 0.00 0.10 0.00 0.00 34.13 31.37 1p0a s GLU 43 CO 0.17 -0.93 1.84 0.25 0.02 0.00 0.00 175.26 176.61