#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 3.90 -0.10 -1.24 2.47 0.48 -4.79 119.74 120.46 1p0a s LYS 2 Ca 0.00 -0.35 -0.30 0.00 -1.56 0.00 0.00 55.97 53.77 1p0a s LYS 2 Cb 0.00 -3.60 -0.02 0.00 -1.46 0.00 0.00 37.83 32.74 1p0a s LYS 2 CO 0.00 -0.18 1.21 -1.17 0.16 0.00 0.00 175.35 175.37 1p0a s LEU 3 N 1.73 4.24 0.00 5.43 2.96 -1.26 0.21 118.68 131.99 1p0a s LEU 3 Ca 0.07 1.75 0.00 0.00 -0.22 0.00 0.00 54.13 55.73 1p0a s LEU 3 Cb -0.16 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1p0a s LEU 3 CO 0.10 -0.64 0.00 2.30 -1.32 0.00 0.00 176.35 176.78 1p0a n ILE 4 N 4.90 0.00 -1.30 6.68 -5.35 -0.75 -4.98 119.36 118.56 1p0a n ILE 4 Ca 0.12 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.60 1p0a n ILE 4 Cb 0.46 -0.73 0.00 0.00 -1.74 0.00 0.00 39.64 37.62 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 3.13 2.75 3.08 3.28 0.00 -1.25 -5.01 105.19 111.16 1p0a n GLY 5 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 1.99 0.16 1.61 0.15 -0.04 -0.31 113.70 119.26 1p0a s SER 6 Ca 0.00 -0.34 0.04 0.00 0.70 0.00 0.00 55.95 56.36 1p0a s SER 6 Cb 0.00 -0.80 -0.05 0.00 -1.71 0.00 0.00 66.02 63.46 1p0a s SER 6 CO 0.00 0.08 1.36 0.00 1.20 0.00 0.00 173.24 175.88 1p0a s VAL 8 N -3.05 3.20 0.52 0.00 0.11 -1.22 -4.64 120.40 115.32 1p0a s VAL 8 Ca -0.02 1.20 -0.20 0.00 -2.93 0.00 0.00 61.98 60.03 1p0a s VAL 8 Cb 0.10 -3.76 -0.06 0.00 -1.53 0.00 0.00 36.38 31.13 1p0a s VAL 8 CO 0.82 0.28 1.15 0.26 -3.33 0.00 0.00 175.10 174.29 1p0a s TRP 9 N -1.10 2.69 0.00 1.54 0.52 -1.26 -3.58 118.94 117.75 1p0a s TRP 9 Ca 0.46 1.53 0.00 0.00 0.02 0.00 0.00 56.10 58.12 1p0a s TRP 9 Cb -0.35 -3.35 0.00 0.00 -1.15 0.00 0.00 33.47 28.62 1p0a s TRP 9 CO 0.45 -1.66 0.00 0.41 0.02 0.00 0.00 176.95 176.18 1p0a n GLY 10 N 0.30 3.07 3.75 0.98 0.00 -1.26 -5.05 105.19 106.98 1p0a n GLY 10 Ca 0.10 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.76 2.89 0.10 4.61 0.00 -1.23 -4.93 121.76 122.43 1p0a s ALA 11 Ca 0.00 1.34 -0.25 0.00 0.00 0.00 0.00 51.96 53.05 1p0a s ALA 11 Cb 0.00 -3.56 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 1p0a s ALA 11 CO 0.00 -1.32 1.68 0.28 0.00 0.00 0.00 175.76 176.40 1p0a h VAL 12 N 1.59 0.68 -0.70 0.00 2.07 -1.97 -2.58 116.25 115.34 1p0a h VAL 12 Ca -0.51 0.00 -0.39 0.00 0.82 0.00 0.00 66.70 66.63 1p0a h VAL 12 Cb 1.29 0.68 -0.14 0.00 -1.52 0.00 0.00 31.29 31.60 1p0a h VAL 12 CO 0.58 0.00 0.20 -0.46 0.02 0.00 0.00 177.57 177.91 1p0a n ASN 13 N -5.26 6.15 -4.74 0.57 2.04 -1.26 -4.95 115.26 107.81 1p0a n ASN 13 Ca -0.07 -2.99 -0.41 0.00 -0.44 0.00 0.00 54.58 50.66 1p0a n ASN 13 Cb 0.18 -1.25 -0.03 0.00 -2.53 0.00 0.00 39.78 36.16 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 -1.05 3.15 -0.29 -2.53 5.04 -0.98 -0.86 117.35 119.84 1p0a s TYR 14 Ca 0.55 1.07 -0.07 0.00 -2.44 0.00 0.00 57.07 56.18 1p0a s TYR 14 Cb 0.33 -3.72 0.15 0.00 0.35 0.00 0.00 41.96 39.07 1p0a s TYR 14 CO -0.13 -2.34 0.61 -0.08 -1.34 0.00 0.00 175.55 172.27 1p0a s THR 15 N 0.27 -0.96 -0.39 4.34 -1.32 0.50 -4.87 115.64 113.21 1p0a s THR 15 Ca 0.60 0.01 0.05 0.00 -1.21 0.00 0.00 61.69 61.14 1p0a s THR 15 Cb -0.39 -0.97 0.45 0.00 -1.51 0.00 0.00 72.50 70.08 1p0a s THR 15 CO 0.39 0.00 1.31 -0.24 -2.21 0.00 0.00 174.62 173.87 1p0a n SER 16 N 5.44 5.34 -2.41 8.08 2.88 -1.26 -3.95 113.62 127.74 1p0a n SER 16 Ca -0.08 -3.75 -0.03 0.00 -1.33 0.00 0.00 58.87 53.68 1p0a n SER 16 Cb 0.50 -0.47 0.09 0.00 -0.75 0.00 0.00 64.21 63.58 1p0a n SER 16 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1p0a n ASN 17 N -0.69 -1.19 0.06 -3.46 4.05 -1.26 -4.96 115.26 107.81 1p0a n ASN 17 Ca 0.46 -2.17 -0.02 0.00 0.45 0.00 0.00 54.58 53.30 1p0a n ASN 17 Cb 0.84 0.55 0.24 0.00 1.23 0.00 0.00 39.78 42.64 1p0a n ASN 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1p0a h ASN 19 N 0.32 0.22 -0.06 0.00 -0.00 -1.88 0.97 115.58 115.15 1p0a h ASN 19 Ca 0.04 0.12 -0.06 0.00 -0.00 0.00 0.00 56.30 56.40 1p0a h ASN 19 Cb 0.68 0.11 0.00 0.00 -0.00 0.00 0.00 38.32 39.11 1p0a h ASN 19 CO 0.05 0.07 -0.22 0.00 -0.00 0.00 0.00 177.43 177.33 1p0a h ALA 20 N 1.56 0.10 -0.22 1.57 0.00 -1.89 -2.77 119.26 117.60 1p0a h ALA 20 Ca 0.41 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1p0a h ALA 20 Cb 0.64 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1p0a h ALA 20 CO -0.42 0.08 -0.06 1.49 0.00 0.00 0.00 179.25 180.33 1p0a h GLU 21 N -0.28 -0.01 -0.65 0.00 4.57 -0.77 0.60 114.58 118.03 1p0a h GLU 21 Ca -0.01 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1p0a h GLU 21 Cb 0.86 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.41 1p0a h GLU 21 CO 0.05 -0.01 0.41 0.00 -1.18 0.00 0.00 179.01 178.28 1p0a h LYS 23 N 0.80 1.14 0.04 0.00 1.63 -1.11 0.20 116.57 119.26 1p0a h LYS 23 Ca 0.26 -0.19 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1p0a h LYS 23 Cb 0.01 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.45 1p0a h LYS 23 CO -0.10 0.91 -0.02 0.00 -3.45 0.00 0.00 179.45 176.79 1p0a h ARG 24 N 1.10 -0.05 -0.86 1.90 3.08 -0.17 -2.92 114.38 116.47 1p0a h ARG 24 Ca 0.26 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.40 1p0a h ARG 24 Cb 0.17 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 1p0a h ARG 24 CO -0.03 0.10 0.56 0.00 -1.07 0.00 0.00 179.97 179.53 1p0a h ARG 25 N -0.19 0.86 0.00 0.04 3.08 -0.91 -3.46 114.38 113.80 1p0a h ARG 25 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1p0a h ARG 25 Cb 0.18 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1p0a h ARG 25 CO 0.01 0.57 0.00 0.41 -1.07 0.00 0.00 179.97 179.89 1p0a n GLY 26 N -1.41 1.17 2.45 0.04 0.00 -0.73 -5.11 105.19 101.60 1p0a n GLY 26 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 1p0a n GLY 26 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1p0a n TYR 27 N 0.00 -1.76 -0.03 1.61 4.02 -0.02 -5.02 117.16 115.97 1p0a n TYR 27 Ca 0.00 -1.41 -0.13 0.00 -0.01 0.00 0.00 57.90 56.35 1p0a n TYR 27 Cb 0.00 -0.32 -0.10 0.00 -0.02 0.00 0.00 39.34 38.90 1p0a n TYR 27 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1p0a h LYS 28 N 0.00 0.02 0.00 -0.72 1.79 -0.76 -3.41 116.57 113.48 1p0a h LYS 28 Ca -0.20 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1p0a h LYS 28 Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1p0a h LYS 28 CO 0.29 0.60 0.00 0.41 -1.08 0.00 0.00 179.45 179.68 1p0a n GLY 29 N 0.50 1.31 3.35 3.86 0.00 -1.15 -4.85 105.19 108.21 1p0a n GLY 29 Ca -0.09 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.28 -0.32 0.00 -0.02 0.00 -1.26 -0.83 107.32 104.61 1p0a s GLY 30 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.66 1p0a s GLY 30 CO 0.00 0.72 0.42 -2.39 0.00 0.00 0.00 173.10 171.85 1p0a n HIS 31 N 1.89 0.00 -4.26 1.90 1.44 -1.18 -4.47 115.22 110.53 1p0a n HIS 31 Ca -0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 1p0a n HIS 31 Cb 0.56 0.21 0.00 0.00 0.12 0.00 0.00 29.99 30.88 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 -0.10 0.63 0.00 0.00 -1.17 -3.14 105.19 101.41 1p0a n GLY 33 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.40 -0.30 1.61 7.64 -1.26 -2.36 113.62 115.55 1p0a n SER 34 Ca 0.00 0.69 0.12 0.00 1.01 0.00 0.00 58.87 60.69 1p0a n SER 34 Cb 0.00 -1.84 0.35 0.00 -1.01 0.00 0.00 64.21 61.70 1p0a n SER 34 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 1p0a h PHE 35 N -0.30 0.92 -0.06 1.43 -5.15 -2.02 -2.99 116.94 108.78 1p0a h PHE 35 Ca -0.05 0.03 -0.16 0.00 -0.20 0.00 0.00 57.97 57.59 1p0a h PHE 35 Cb 0.50 -0.29 -0.32 0.00 0.22 0.00 0.00 35.95 36.07 1p0a h PHE 35 CO 0.03 0.31 -0.94 1.28 -2.00 0.00 0.00 178.31 176.99 1p0a n LEU 36 N -4.61 1.47 -1.83 2.10 4.77 -1.26 -5.09 117.00 112.55 1p0a n LEU 36 Ca 0.19 -2.52 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 1p0a n LEU 36 Cb 0.48 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1p0a n LEU 36 CO 0.28 0.76 -0.40 -3.20 -1.33 0.00 0.00 177.39 173.49 1p0a n ASN 37 N 0.07 -7.90 0.00 -1.43 2.85 -1.00 -5.05 115.26 102.81 1p0a n ASN 37 Ca 0.09 1.17 0.00 0.00 -0.11 0.00 0.00 54.58 55.73 1p0a n ASN 37 Cb 1.03 -4.45 0.00 0.00 1.24 0.00 0.00 39.78 37.60 1p0a n ASN 37 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1p0a n VAL 38 N 1.62 0.00 -3.89 3.44 3.14 -1.24 -4.84 118.33 116.55 1p0a n VAL 38 Ca 0.00 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.02 1p0a n VAL 38 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 1p0a n VAL 38 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1p0a s ASN 39 N -1.27 6.37 -0.25 6.55 0.01 -1.26 -0.59 114.94 124.50 1p0a s ASN 39 Ca 0.00 0.43 -0.22 0.00 -0.71 0.00 0.00 52.86 52.36 1p0a s ASN 39 Cb 0.00 -2.04 -0.01 0.00 0.41 0.00 0.00 41.25 39.61 1p0a s ASN 39 CO 0.00 0.36 0.70 0.00 -1.51 0.00 0.00 177.10 176.66 1p0a s TRP 41 N 2.61 2.78 -0.02 0.00 0.52 -1.19 -1.82 118.94 121.82 1p0a s TRP 41 Ca 0.29 -0.99 -0.20 0.00 0.02 0.00 0.00 56.10 55.23 1p0a s TRP 41 Cb -0.15 -1.88 -0.05 0.00 -1.15 0.00 0.00 33.47 30.24 1p0a s TRP 41 CO 0.08 -0.44 0.56 0.00 0.02 0.00 0.00 176.95 177.17 1p0a s GLU 43 N -0.12 4.53 0.00 0.00 0.41 -0.01 -0.39 118.70 123.12 1p0a s GLU 43 Ca 0.30 1.82 0.00 0.00 -0.41 0.00 0.00 54.97 56.68 1p0a s GLU 43 Cb -0.18 -3.25 0.00 0.00 -1.78 0.00 0.00 34.13 28.92 1p0a s GLU 43 CO 0.16 -0.03 0.00 -2.37 -0.49 0.00 0.00 175.26 172.52