#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p00 s LYS 2 N 0.00 3.29 -1.10 -1.24 -0.14 -0.59 -4.84 119.74 115.12 1p00 s LYS 2 Ca 0.00 -0.73 -0.19 0.00 -1.36 0.00 0.00 55.97 53.70 1p00 s LYS 2 Cb 0.00 -2.60 0.11 0.00 -1.68 0.00 0.00 37.83 33.66 1p00 s LYS 2 CO 0.00 0.13 1.42 -1.17 -0.76 0.00 0.00 175.35 174.97 1p00 s LEU 3 N 0.53 4.38 0.00 3.17 2.96 -1.26 -0.14 118.68 128.32 1p00 s LEU 3 Ca -0.10 -2.20 0.25 0.00 -0.22 0.00 0.00 54.13 51.86 1p00 s LEU 3 Cb -0.16 -2.48 1.10 0.00 0.50 0.00 0.00 46.19 45.14 1p00 s LEU 3 CO 0.04 -1.13 1.81 2.30 -1.32 0.00 0.00 176.35 178.05 1p00 n ILE 4 N 5.85 0.27 0.00 6.68 -5.35 -1.19 -4.99 119.36 120.64 1p00 n ILE 4 Ca 0.35 0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.90 1p00 n ILE 4 Cb 0.47 -0.64 0.00 0.00 -1.74 0.00 0.00 39.64 37.73 1p00 n ILE 4 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p00 n GLY 5 N 1.04 -0.54 3.58 3.28 0.00 -1.26 -4.96 105.19 106.33 1p00 n GLY 5 Ca 0.07 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 1p00 n GLY 5 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p00 s SER 6 N -4.00 4.26 -0.23 1.61 0.15 0.40 -2.77 113.70 113.12 1p00 s SER 6 Ca 0.00 -0.65 0.11 0.00 0.70 0.00 0.00 55.95 56.12 1p00 s SER 6 Cb 0.00 -0.71 0.44 0.00 -1.71 0.00 0.00 66.02 64.04 1p00 s SER 6 CO 0.00 0.07 1.20 0.00 1.20 0.00 0.00 173.24 175.70 1p00 s VAL 8 N -3.58 0.51 0.29 0.00 1.01 -1.25 -4.84 120.40 112.54 1p00 s VAL 8 Ca 0.42 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 1p00 s VAL 8 Cb 0.38 -0.47 -0.12 0.00 0.00 0.00 0.00 36.38 36.17 1p00 s VAL 8 CO -0.03 0.17 1.60 1.87 0.00 0.00 0.00 175.10 178.72 1p00 n TRP 9 N 3.31 2.84 -2.28 5.22 -0.00 -1.26 -3.17 117.44 122.10 1p00 n TRP 9 Ca -0.18 0.24 -0.03 0.00 -0.00 0.00 0.00 57.50 57.54 1p00 n TRP 9 Cb 0.55 -2.60 0.01 0.00 -0.00 0.00 0.00 31.31 29.27 1p00 n TRP 9 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1p00 n GLY 10 N 2.30 0.41 3.16 5.87 0.00 -1.26 -5.07 105.19 110.60 1p00 n GLY 10 Ca 0.09 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 1p00 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p00 s ALA 11 N -3.05 -0.15 0.23 4.61 0.00 -1.19 -5.13 121.76 117.08 1p00 s ALA 11 Ca 0.02 -0.56 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 1p00 s ALA 11 Cb -0.01 0.34 -0.09 0.00 0.00 0.00 0.00 23.12 23.37 1p00 s ALA 11 CO 0.10 -0.40 1.24 0.08 0.00 0.00 0.00 175.76 176.78 1p00 s VAL 12 N -3.16 3.28 -1.29 0.00 1.01 -1.26 -3.03 120.40 115.94 1p00 s VAL 12 Ca -0.00 1.12 -0.06 0.00 0.00 0.00 0.00 61.98 63.04 1p00 s VAL 12 Cb 0.02 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1p00 s VAL 12 CO -0.07 0.20 0.81 0.59 0.00 0.00 0.00 175.10 176.63 1p00 n ASN 13 N 2.09 -5.77 -4.76 3.32 3.02 -1.26 -3.49 115.26 108.40 1p00 n ASN 13 Ca 0.04 -0.37 -0.41 0.00 -0.03 0.00 0.00 54.58 53.81 1p00 n ASN 13 Cb 0.43 -4.49 -0.03 0.00 -0.61 0.00 0.00 39.78 35.09 1p00 n ASN 13 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1p00 s TYR 14 N -3.20 3.17 -0.12 3.10 5.04 -1.17 -0.45 117.35 123.72 1p00 s TYR 14 Ca 0.40 1.41 -0.05 0.00 -2.44 0.00 0.00 57.07 56.39 1p00 s TYR 14 Cb -0.18 -3.61 0.06 0.00 0.35 0.00 0.00 41.96 38.58 1p00 s TYR 14 CO 0.50 -1.69 0.25 -0.08 -1.34 0.00 0.00 175.55 173.18 1p00 s THR 15 N -0.88 -0.24 -0.07 4.34 -1.32 -0.13 -4.88 115.64 112.45 1p00 s THR 15 Ca 0.50 0.23 -0.24 0.00 -1.21 0.00 0.00 61.69 60.97 1p00 s THR 15 Cb -0.38 -0.40 -0.29 0.00 -1.51 0.00 0.00 72.50 69.92 1p00 s THR 15 CO 0.48 0.10 0.88 0.28 -2.21 0.00 0.00 174.62 174.15 1p00 h SER 16 N 7.83 0.31 -0.85 8.08 0.02 -1.95 -3.35 113.55 123.64 1p00 h SER 16 Ca -0.26 -0.94 -0.72 0.00 -0.84 0.00 0.00 61.79 59.03 1p00 h SER 16 Cb 1.13 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 63.49 1p00 h SER 16 CO 0.24 1.23 2.78 0.59 -1.14 0.00 0.00 176.83 180.53 1p00 n ASN 17 N -4.31 8.24 -0.19 3.07 4.13 -1.26 -4.76 115.26 120.18 1p00 n ASN 17 Ca -0.12 -3.00 -0.04 0.00 1.68 0.00 0.00 54.58 53.11 1p00 n ASN 17 Cb 0.69 -1.41 0.03 0.00 -1.54 0.00 0.00 39.78 37.54 1p00 n ASN 17 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p00 h ARG 19 N -0.11 0.39 -0.66 0.00 2.43 -1.86 -2.91 114.38 111.66 1p00 h ARG 19 Ca 0.25 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1p00 h ARG 19 Cb 0.51 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 1p00 h ARG 19 CO -0.64 0.53 0.40 0.00 -1.51 0.00 0.00 179.97 178.75 1p00 h ALA 20 N 0.85 0.86 -0.54 2.80 0.00 -1.70 -1.32 119.26 120.21 1p00 h ALA 20 Ca 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1p00 h ALA 20 Cb 0.33 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1p00 h ALA 20 CO 0.00 0.15 0.34 0.93 0.00 0.00 0.00 179.25 180.68 1p00 h GLU 21 N 0.79 0.67 -0.60 0.00 4.39 -0.71 0.16 114.58 119.28 1p00 h GLU 21 Ca 0.27 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.90 1p00 h GLU 21 Cb 0.04 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 1p00 h GLU 21 CO -0.11 0.44 0.26 0.00 -1.16 0.00 0.00 179.01 178.44 1p00 h LYS 23 N 0.83 0.92 -0.66 0.00 1.57 -0.69 0.30 116.57 118.84 1p00 h LYS 23 Ca 0.20 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1p00 h LYS 23 Cb 0.17 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1p00 h LYS 23 CO -0.02 0.67 0.36 0.00 -0.57 0.00 0.00 179.45 179.89 1p00 h ARG 24 N 0.91 0.92 -0.04 3.15 2.47 -0.21 -3.05 114.38 118.53 1p00 h ARG 24 Ca 0.24 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 1p00 h ARG 24 Cb -0.00 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.13 1p00 h ARG 24 CO -0.04 0.69 -0.03 0.00 0.56 0.00 0.00 179.97 181.15 1p00 h ARG 25 N 0.90 0.09 0.00 0.04 3.08 -0.52 -3.47 114.38 114.50 1p00 h ARG 25 Ca 0.23 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1p00 h ARG 25 Cb 0.03 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1p00 h ARG 25 CO -0.04 0.51 0.00 0.41 -1.07 0.00 0.00 179.97 179.78 1p00 n GLY 26 N 0.11 0.00 3.36 0.04 0.00 0.73 -5.10 105.19 104.33 1p00 n GLY 26 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1p00 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p00 s TYR 27 N 0.00 1.97 0.23 1.61 1.51 0.65 -4.98 117.35 118.34 1p00 s TYR 27 Ca 0.00 -0.43 -0.07 0.00 -1.01 0.00 0.00 57.07 55.56 1p00 s TYR 27 Cb 0.00 -0.99 0.22 0.00 -0.11 0.00 0.00 41.96 41.08 1p00 s TYR 27 CO 0.00 0.38 1.88 0.87 -1.11 0.00 0.00 175.55 177.56 1p00 h LYS 28 N 3.30 1.25 0.00 -0.62 1.79 -1.77 -3.34 116.57 117.18 1p00 h LYS 28 Ca -0.44 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 1p00 h LYS 28 Cb 1.20 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1p00 h LYS 28 CO 0.49 0.88 0.00 0.41 -1.08 0.00 0.00 179.45 180.15 1p00 n GLY 29 N -1.21 3.01 3.60 3.86 0.00 -1.10 -4.91 105.19 108.43 1p00 n GLY 29 Ca 0.10 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 1p00 n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p00 s GLY 30 N -0.04 -0.15 -0.23 -0.02 0.00 -1.26 -1.39 107.32 104.23 1p00 s GLY 30 Ca 0.00 2.18 -0.26 0.00 0.00 0.00 0.00 44.72 46.64 1p00 s GLY 30 CO 0.00 0.91 0.76 -2.38 0.00 0.00 0.00 173.10 172.39 1p00 s HIS 31 N -1.47 -0.71 0.01 1.90 -3.43 0.70 -4.25 115.29 108.04 1p00 s HIS 31 Ca 0.05 1.65 -0.25 0.00 -0.80 0.00 0.00 55.06 55.72 1p00 s HIS 31 Cb -0.01 0.31 -0.05 0.00 -1.43 0.00 0.00 32.58 31.40 1p00 s HIS 31 CO -0.04 -0.40 0.76 0.00 -2.00 0.00 0.00 174.74 173.06 1p00 n GLY 33 N 2.60 2.45 7.00 0.00 0.00 0.96 -4.94 105.19 113.25 1p00 n GLY 33 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1p00 n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1p00 n SER 34 N 0.00 -0.69 -4.67 1.61 2.88 -1.26 -2.27 113.62 109.22 1p00 n SER 34 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1p00 n SER 34 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1p00 n SER 34 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1p00 s PHE 35 N 0.00 1.76 -1.22 0.66 5.36 -1.26 -2.33 117.98 120.95 1p00 s PHE 35 Ca 0.00 -0.11 0.00 0.00 -0.96 0.00 0.00 56.93 55.86 1p00 s PHE 35 Cb 0.00 -4.11 0.00 0.00 -0.34 0.00 0.00 43.02 38.57 1p00 s PHE 35 CO 0.00 -4.75 0.00 0.00 -1.46 0.00 0.00 175.22 169.01 1p00 n ALA 36 N 6.86 -0.47 -2.47 11.12 0.00 -1.26 -1.48 120.51 132.81 1p00 n ALA 36 Ca 0.18 0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.62 1p00 n ALA 36 Cb 0.41 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 1p00 n ALA 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1p00 n ASN 37 N -1.09 -4.61 0.07 0.00 3.02 -0.99 -4.85 115.26 106.82 1p00 n ASN 37 Ca -0.14 0.10 0.03 0.00 -0.03 0.00 0.00 54.58 54.54 1p00 n ASN 37 Cb 0.51 -3.88 -0.04 0.00 -0.61 0.00 0.00 39.78 35.77 1p00 n ASN 37 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1p00 h VAL 38 N -0.07 0.46 -3.03 2.41 -1.51 -0.98 -3.39 116.25 110.15 1p00 h VAL 38 Ca -0.37 -1.82 -0.62 0.00 -1.23 0.00 0.00 66.70 62.66 1p00 h VAL 38 Cb 1.27 2.01 -0.08 0.00 -2.13 0.00 0.00 31.29 32.36 1p00 h VAL 38 CO 0.43 0.26 -0.33 0.20 -1.23 0.00 0.00 177.57 176.91 1p00 s ASN 39 N -5.85 6.54 -0.21 4.19 0.01 -0.96 0.33 114.94 118.99 1p00 s ASN 39 Ca -0.01 0.64 -0.12 0.00 -0.71 0.00 0.00 52.86 52.66 1p00 s ASN 39 Cb 0.08 -2.17 -0.05 0.00 0.41 0.00 0.00 41.25 39.52 1p00 s ASN 39 CO 0.79 0.25 0.23 0.00 -1.51 0.00 0.00 177.10 176.86 1p00 s TRP 41 N 0.89 1.92 0.14 0.00 0.52 0.15 -3.15 118.94 119.42 1p00 s TRP 41 Ca 0.12 -0.82 -0.30 0.00 0.02 0.00 0.00 56.10 55.11 1p00 s TRP 41 Cb -0.13 -1.36 -0.07 0.00 -1.15 0.00 0.00 33.47 30.76 1p00 s TRP 41 CO 0.04 -0.40 1.04 0.00 0.02 0.00 0.00 176.95 177.65 1p00 n GLU 43 N 2.64 2.94 0.00 0.00 1.02 -0.49 -1.54 120.64 125.21 1p00 n GLU 43 Ca 0.03 -2.91 0.00 0.00 -0.02 0.00 0.00 57.16 54.26 1p00 n GLU 43 Cb 0.48 -3.40 0.00 0.00 -0.02 0.00 0.00 31.44 28.50 1p00 n GLU 43 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72