#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 0.22 -0.62 0.11 2.47 -0.74 -4.88 119.74 116.30 1p0a s LYS 2 Ca 0.00 0.78 -0.21 0.00 -1.56 0.00 0.00 55.97 54.98 1p0a s LYS 2 Cb 0.00 0.03 0.08 0.00 -1.46 0.00 0.00 37.83 36.48 1p0a s LYS 2 CO 0.00 -0.24 0.84 -1.17 0.16 0.00 0.00 175.35 174.93 1p0a s LEU 3 N 2.15 4.81 0.04 5.43 0.20 -1.26 0.07 118.68 130.11 1p0a s LEU 3 Ca -0.02 -1.12 0.10 0.00 0.69 0.00 0.00 54.13 53.78 1p0a s LEU 3 Cb -0.11 -2.40 -0.21 0.00 -0.43 0.00 0.00 46.19 43.04 1p0a s LEU 3 CO -0.10 -1.26 0.95 0.16 -0.29 0.00 0.00 176.35 175.81 1p0a h ILE 4 N 5.95 1.21 0.00 6.68 3.07 -1.91 -3.50 117.51 129.00 1p0a h ILE 4 Ca -0.29 -2.98 0.00 0.00 1.55 0.00 0.00 64.86 63.14 1p0a h ILE 4 Cb 1.08 2.59 0.00 0.00 -0.27 0.00 0.00 36.82 40.22 1p0a h ILE 4 CO 1.13 0.69 0.00 0.61 -1.05 0.00 0.00 178.15 179.53 1p0a n GLY 5 N 1.45 -0.99 3.77 0.16 0.00 -1.26 -4.98 105.19 103.34 1p0a n GLY 5 Ca -0.09 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 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 7.43 0.03 1.61 0.15 0.17 0.01 113.70 119.09 1p0a s SER 6 Ca 0.00 1.69 0.14 0.00 0.70 0.00 0.00 55.95 58.48 1p0a s SER 6 Cb 0.00 -2.52 -0.17 0.00 -1.71 0.00 0.00 66.02 61.62 1p0a s SER 6 CO 0.00 0.19 0.81 0.00 1.20 0.00 0.00 173.24 175.45 1p0a s VAL 8 N -2.76 4.67 -0.25 0.00 0.11 -1.26 -4.87 120.40 116.04 1p0a s VAL 8 Ca -0.03 1.26 -0.29 0.00 -2.93 0.00 0.00 61.98 59.99 1p0a s VAL 8 Cb 0.08 -3.92 -0.01 0.00 -1.53 0.00 0.00 36.38 31.01 1p0a s VAL 8 CO 0.81 0.48 1.33 0.86 -3.33 0.00 0.00 175.10 175.25 1p0a s TRP 9 N -1.20 2.66 0.00 1.54 -0.00 -1.26 -3.87 118.94 116.81 1p0a s TRP 9 Ca 0.32 0.86 0.00 0.00 -0.00 0.00 0.00 56.10 57.29 1p0a s TRP 9 Cb -0.19 -3.81 0.00 0.00 -0.00 0.00 0.00 33.47 29.47 1p0a s TRP 9 CO 0.20 -1.87 0.00 0.41 -0.00 0.00 0.00 176.95 175.70 1p0a n GLY 10 N 4.16 1.48 3.78 5.86 0.00 -1.26 -5.14 105.19 114.07 1p0a n GLY 10 Ca 0.15 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 2.68 0.21 4.61 0.00 -1.25 -4.95 121.76 123.06 1p0a s ALA 11 Ca 0.00 0.66 -0.08 0.00 0.00 0.00 0.00 51.96 52.53 1p0a s ALA 11 Cb 0.00 -3.31 0.14 0.00 0.00 0.00 0.00 23.12 19.95 1p0a s ALA 11 CO 0.00 -0.81 1.77 0.28 0.00 0.00 0.00 175.76 176.99 1p0a h VAL 12 N 0.87 1.26 -0.01 0.00 2.07 -2.00 -2.68 116.25 115.75 1p0a h VAL 12 Ca -0.49 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 1p0a h VAL 12 Cb 1.24 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1p0a h VAL 12 CO 0.57 0.33 0.01 0.59 0.02 0.00 0.00 177.57 179.09 1p0a n ASN 13 N -4.31 5.07 -4.68 0.57 4.13 -1.26 -4.89 115.26 109.90 1p0a n ASN 13 Ca 0.07 -2.37 -0.42 0.00 1.68 0.00 0.00 54.58 53.53 1p0a n ASN 13 Cb 0.19 -1.05 -0.03 0.00 -1.54 0.00 0.00 39.78 37.35 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 -0.05 2.73 0.07 3.10 5.04 -1.01 0.42 117.35 127.65 1p0a s TYR 14 Ca 0.01 0.80 -0.24 0.00 -2.44 0.00 0.00 57.07 55.20 1p0a s TYR 14 Cb 0.01 -3.64 -0.06 0.00 0.35 0.00 0.00 41.96 38.61 1p0a s TYR 14 CO 0.00 -2.38 0.71 0.99 -1.34 0.00 0.00 175.55 173.53 1p0a s THR 15 N 2.94 4.68 0.17 4.34 2.01 0.01 -4.86 115.64 124.93 1p0a s THR 15 Ca 0.62 1.53 -0.14 0.00 0.31 0.00 0.00 61.69 64.00 1p0a s THR 15 Cb -0.28 -4.06 0.08 0.00 0.01 0.00 0.00 72.50 68.25 1p0a s THR 15 CO 0.24 0.43 1.71 -1.28 -0.69 0.00 0.00 174.62 175.03 1p0a h SER 16 N 5.22 -0.05 -0.94 3.53 0.87 -1.94 -3.42 113.55 116.81 1p0a h SER 16 Ca -0.46 0.08 0.15 0.00 -1.23 0.00 0.00 61.79 60.34 1p0a h SER 16 Cb 1.21 0.13 -0.21 0.00 -0.44 0.00 0.00 62.40 63.08 1p0a h SER 16 CO 0.69 0.01 -0.03 0.21 -0.53 0.00 0.00 176.83 177.17 1p0a s ASN 17 N -5.29 -0.92 0.10 6.23 2.47 -1.26 -5.07 114.94 111.20 1p0a s ASN 17 Ca -0.13 0.78 -0.32 0.00 0.42 0.00 0.00 52.86 53.61 1p0a s ASN 17 Cb 0.14 1.85 -0.13 0.00 -1.45 0.00 0.00 41.25 41.67 1p0a s ASN 17 CO 0.72 -0.17 1.59 0.00 -3.72 0.00 0.00 177.10 175.52 1p0a h ASN 19 N -0.75 -0.04 -0.00 0.00 -0.00 -1.87 0.16 115.58 113.08 1p0a h ASN 19 Ca -0.01 0.12 -0.00 0.00 -0.00 0.00 0.00 56.30 56.40 1p0a h ASN 19 Cb 0.71 0.17 -0.00 0.00 -0.00 0.00 0.00 38.32 39.20 1p0a h ASN 19 CO -0.14 -0.01 -0.00 0.00 -0.00 0.00 0.00 177.43 177.27 1p0a h ALA 20 N 1.49 0.01 -0.66 1.57 0.00 -1.87 -2.59 119.26 117.20 1p0a h ALA 20 Ca 0.31 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1p0a h ALA 20 Cb 0.47 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1p0a h ALA 20 CO -0.42 -0.27 0.14 1.49 0.00 0.00 0.00 179.25 180.20 1p0a h GLU 21 N -0.44 1.06 -0.43 0.00 4.81 -0.87 -1.00 114.58 117.71 1p0a h GLU 21 Ca 0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1p0a h GLU 21 Cb 0.45 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1p0a h GLU 21 CO 0.00 0.96 0.28 0.00 -0.73 0.00 0.00 179.01 179.52 1p0a h LYS 23 N 0.58 1.08 0.02 0.00 1.63 -1.26 0.16 116.57 118.79 1p0a h LYS 23 Ca 0.16 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1p0a h LYS 23 Cb -0.05 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.37 1p0a h LYS 23 CO -0.03 0.82 -0.01 -0.09 -3.45 0.00 0.00 179.45 176.68 1p0a h ARG 24 N 1.08 -0.03 -0.58 1.90 2.43 -0.45 -2.89 114.38 115.84 1p0a h ARG 24 Ca 0.27 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1p0a h ARG 24 Cb 0.07 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1p0a h ARG 24 CO -0.04 0.06 0.30 0.00 -1.51 0.00 0.00 179.97 178.78 1p0a h ARG 25 N -0.11 0.81 0.00 0.20 3.08 -0.78 -3.46 114.38 114.11 1p0a h ARG 25 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1p0a h ARG 25 Cb 0.10 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1p0a h ARG 25 CO 0.00 0.61 0.00 0.41 -1.07 0.00 0.00 179.97 179.92 1p0a n GLY 26 N -1.22 0.92 3.67 0.04 0.00 -0.72 -5.11 105.19 102.76 1p0a n GLY 26 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.12 2.67 0.22 1.61 1.51 0.46 -5.00 117.35 117.70 1p0a s TYR 27 Ca 0.00 -0.31 -0.08 0.00 -1.01 0.00 0.00 57.07 55.67 1p0a s TYR 27 Cb 0.00 -1.38 0.26 0.00 -0.11 0.00 0.00 41.96 40.73 1p0a s TYR 27 CO 0.00 0.51 1.82 0.87 -1.11 0.00 0.00 175.55 177.64 1p0a h LYS 28 N 1.77 0.74 0.00 -0.62 1.79 -1.42 -3.32 116.57 115.51 1p0a h LYS 28 Ca -0.44 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1p0a h LYS 28 Cb 1.25 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1p0a h LYS 28 CO 0.62 0.49 0.00 0.41 -1.08 0.00 0.00 179.45 179.90 1p0a n GLY 29 N -1.30 -0.70 3.56 3.86 0.00 -1.26 -4.76 105.19 104.60 1p0a n GLY 29 Ca 0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.18 -0.02 0.00 -1.26 -0.17 107.32 105.32 1p0a s GLY 30 Ca 0.00 2.78 0.16 0.00 0.00 0.00 0.00 44.72 47.66 1p0a s GLY 30 CO 0.00 2.91 1.50 -2.39 0.00 0.00 0.00 173.10 175.11 1p0a n HIS 31 N 4.70 1.20 0.00 1.90 1.44 -1.24 -3.66 115.22 119.56 1p0a n HIS 31 Ca -0.14 -0.82 0.00 0.00 -2.01 0.00 0.00 57.72 54.76 1p0a n HIS 31 Cb 0.54 -0.34 0.00 0.00 0.12 0.00 0.00 29.99 30.31 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 -0.56 1.13 0.00 0.00 -1.16 -4.17 105.19 100.42 1p0a n GLY 33 Ca 0.00 0.35 0.14 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 -6.16 0.00 1.61 7.64 -0.42 -4.64 113.62 111.65 1p0a n SER 34 Ca 0.00 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1p0a n SER 34 Cb 0.00 -3.86 0.00 0.00 -1.01 0.00 0.00 64.21 59.34 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 -3.84 0.00 0.02 1.43 7.35 -1.26 -2.77 117.46 118.39 1p0a n PHE 35 Ca -0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.62 1p0a n PHE 35 Cb 0.54 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.37 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 0.00 0.35 -2.94 -2.13 4.77 -1.26 -4.78 117.00 111.01 1p0a n LEU 36 Ca 0.00 0.05 -0.28 0.00 -0.03 0.00 0.00 56.01 55.75 1p0a n LEU 36 Cb 0.00 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 1p0a n LEU 36 CO 0.00 -0.26 2.67 0.59 -1.33 0.00 0.00 177.39 179.06 1p0a n ASN 37 N -3.15 6.86 -1.96 -1.43 5.03 -1.11 -4.72 115.26 114.77 1p0a n ASN 37 Ca 0.00 -2.46 -0.08 0.00 0.87 0.00 0.00 54.58 52.91 1p0a n ASN 37 Cb 0.33 -1.38 -0.11 0.00 -1.02 0.00 0.00 39.78 37.60 1p0a n ASN 37 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1p0a n VAL 38 N 3.42 2.35 -3.87 2.41 0.31 -1.26 -1.31 118.33 120.38 1p0a n VAL 38 Ca 0.61 -1.08 -0.10 0.00 -0.01 0.00 0.00 64.34 63.76 1p0a n VAL 38 Cb 0.37 -1.81 -0.09 0.00 -0.91 0.00 0.00 33.84 31.40 1p0a n VAL 38 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1p0a s ASN 39 N 2.12 0.06 -1.09 4.52 0.01 -1.26 -3.40 114.94 115.90 1p0a s ASN 39 Ca 0.44 -0.37 -0.22 0.00 -0.71 0.00 0.00 52.86 52.00 1p0a s ASN 39 Cb 0.21 0.26 -0.01 0.00 0.41 0.00 0.00 41.25 42.12 1p0a s ASN 39 CO 0.00 -0.51 1.78 0.00 -1.51 0.00 0.00 177.10 176.86 1p0a s TRP 41 N 7.86 2.96 0.12 0.00 0.52 -1.26 -2.73 118.94 126.42 1p0a s TRP 41 Ca 0.60 0.73 -0.30 0.00 0.02 0.00 0.00 56.10 57.16 1p0a s TRP 41 Cb -0.01 -4.01 -0.06 0.00 -1.15 0.00 0.00 33.47 28.24 1p0a s TRP 41 CO 0.03 -1.04 0.99 0.00 0.02 0.00 0.00 176.95 176.94 1p0a s GLU 43 N -0.07 4.41 0.00 0.00 2.02 0.76 -1.79 118.70 124.03 1p0a s GLU 43 Ca 0.47 1.55 0.00 0.00 0.02 0.00 0.00 54.97 57.01 1p0a s GLU 43 Cb -0.24 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.46 1p0a s GLU 43 CO 0.31 -0.34 0.42 2.41 0.02 0.00 0.00 175.26 178.07