#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i2u s LYS 2 N 0.00 2.29 -0.21 -1.24 2.20 -0.38 -4.86 119.74 117.55 1i2u s LYS 2 Ca 0.00 -0.57 -0.27 0.00 -0.36 0.00 0.00 55.97 54.77 1i2u s LYS 2 Cb 0.00 -2.01 -0.00 0.00 -1.51 0.00 0.00 37.83 34.31 1i2u s LYS 2 CO 0.00 -0.14 0.93 -1.17 -0.36 0.00 0.00 175.35 174.62 1i2u s LEU 3 N 1.20 4.12 -0.01 5.43 2.96 -1.26 0.90 118.68 132.03 1i2u s LEU 3 Ca -0.01 1.25 0.10 0.00 -0.22 0.00 0.00 54.13 55.24 1i2u s LEU 3 Cb -0.14 -3.38 -0.13 0.00 0.50 0.00 0.00 46.19 43.05 1i2u s LEU 3 CO -0.06 -0.55 0.31 2.30 -1.32 0.00 0.00 176.35 177.03 1i2u n ILE 4 N 5.12 0.00 -3.73 6.68 -6.64 -1.16 -4.97 119.36 114.65 1i2u n ILE 4 Ca 0.08 -0.25 -0.00 0.00 -1.77 0.00 0.00 62.75 60.81 1i2u n ILE 4 Cb 0.47 0.65 0.01 0.00 -1.44 0.00 0.00 39.64 39.33 1i2u n ILE 4 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1i2u n GLY 5 N 1.58 0.80 3.99 3.28 0.00 -1.25 -5.05 105.19 108.53 1i2u n GLY 5 Ca 0.00 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 1i2u n GLY 5 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i2u s SER 6 N -1.97 5.04 -0.02 1.61 0.15 -1.04 -1.41 113.70 116.08 1i2u s SER 6 Ca 0.10 -0.89 0.02 0.00 0.70 0.00 0.00 55.95 55.88 1i2u s SER 6 Cb -0.01 0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1i2u s SER 6 CO 0.01 -1.17 1.02 0.00 1.20 0.00 0.00 173.24 174.30 1i2u h VAL 8 N 6.15 0.34 -4.68 0.00 2.07 -1.49 -3.34 116.25 115.31 1i2u h VAL 8 Ca 0.00 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1i2u h VAL 8 Cb 1.35 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 1i2u h VAL 8 CO 0.00 0.12 -0.97 1.87 0.02 0.00 0.00 177.57 178.61 1i2u n TRP 9 N -3.31 -3.38 0.00 1.57 -0.00 -1.26 -4.77 117.44 106.29 1i2u n TRP 9 Ca -0.00 1.67 0.00 0.00 -0.00 0.00 0.00 57.50 59.17 1i2u n TRP 9 Cb 0.35 -3.52 0.00 0.00 -0.00 0.00 0.00 31.31 28.14 1i2u n TRP 9 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1i2u n GLY 10 N 0.85 2.34 3.73 5.87 0.00 -1.26 -5.12 105.19 111.59 1i2u n GLY 10 Ca -0.12 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1i2u n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2u s ALA 11 N -0.11 1.87 -0.13 4.61 0.00 -1.26 -4.88 121.76 121.87 1i2u s ALA 11 Ca 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 51.96 52.23 1i2u s ALA 11 Cb 0.00 -3.30 0.09 0.00 0.00 0.00 0.00 23.12 19.91 1i2u s ALA 11 CO 0.00 -2.16 1.98 1.55 0.00 0.00 0.00 175.76 177.13 1i2u n VAL 12 N -3.79 2.28 -1.99 0.00 3.14 -1.26 -3.41 118.33 113.30 1i2u n VAL 12 Ca 0.09 -0.94 0.00 0.00 -2.96 0.00 0.00 64.34 60.53 1i2u n VAL 12 Cb 0.53 -1.42 0.00 0.00 -1.06 0.00 0.00 33.84 31.90 1i2u n VAL 12 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1i2u n ASN 13 N 1.01 0.00 -4.77 6.55 4.13 -1.26 -5.12 115.26 115.79 1i2u n ASN 13 Ca 0.12 -1.14 -0.38 0.00 1.68 0.00 0.00 54.58 54.87 1i2u n ASN 13 Cb 0.54 -0.03 -0.05 0.00 -1.54 0.00 0.00 39.78 38.70 1i2u n ASN 13 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1i2u s TYR 14 N 0.00 3.58 -0.47 3.10 5.04 -1.22 -2.48 117.35 124.90 1i2u s TYR 14 Ca 0.00 1.74 -0.18 0.00 -2.44 0.00 0.00 57.07 56.20 1i2u s TYR 14 Cb 0.00 -3.04 0.05 0.00 0.35 0.00 0.00 41.96 39.32 1i2u s TYR 14 CO 0.00 -0.12 0.52 0.95 -1.34 0.00 0.00 175.55 175.56 1i2u s THR 15 N -1.52 5.02 0.38 4.34 -4.23 -1.23 -4.93 115.64 113.47 1i2u s THR 15 Ca 0.51 -0.55 0.09 0.00 -1.18 0.00 0.00 61.69 60.56 1i2u s THR 15 Cb -0.22 -4.18 0.32 0.00 1.34 0.00 0.00 72.50 69.76 1i2u s THR 15 CO 0.28 -0.63 1.92 0.28 -0.54 0.00 0.00 174.62 175.93 1i2u h SER 16 N 8.85 0.59 -3.14 3.99 0.02 -1.94 -3.27 113.55 118.65 1i2u h SER 16 Ca -0.27 0.02 -0.60 0.00 -0.84 0.00 0.00 61.79 60.09 1i2u h SER 16 Cb 1.10 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 63.14 1i2u h SER 16 CO 0.89 0.34 -0.77 -0.62 -1.14 0.00 0.00 176.83 175.53 1i2u s ASP 17 N -6.01 3.33 0.10 3.07 2.15 -1.26 -5.02 116.67 113.02 1i2u s ASP 17 Ca -0.09 -2.74 -0.25 0.00 0.43 0.00 0.00 52.55 49.90 1i2u s ASP 17 Cb 0.21 -0.90 -0.09 0.00 -0.30 0.00 0.00 42.92 41.84 1i2u s ASP 17 CO 0.78 -0.24 1.41 0.00 -0.17 0.00 0.00 175.17 176.95 1i2u h ASN 19 N -0.34 0.68 -0.46 0.00 -0.00 -1.94 -1.10 115.58 112.42 1i2u h ASN 19 Ca 0.05 -0.38 0.09 0.00 -0.00 0.00 0.00 56.30 56.06 1i2u h ASN 19 Cb 0.47 -0.19 -0.09 0.00 -0.00 0.00 0.00 38.32 38.51 1i2u h ASN 19 CO -0.42 0.91 -0.15 1.23 -0.00 0.00 0.00 177.43 179.00 1i2u h GLY 20 N 0.45 0.26 0.85 1.57 0.00 -1.86 0.38 103.07 104.72 1i2u h GLY 20 Ca 0.08 0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 1i2u h GLY 20 CO 0.04 -0.19 -0.40 -2.09 0.00 0.00 0.00 176.54 173.90 1i2u h GLU 21 N -0.04 -1.06 -0.83 4.80 4.57 -0.76 -1.20 114.58 120.05 1i2u h GLU 21 Ca 0.22 0.07 0.20 0.00 -1.18 0.00 0.00 59.36 58.68 1i2u h GLU 21 Cb 0.38 0.24 -0.13 0.00 -0.16 0.00 0.00 28.75 29.09 1i2u h GLU 21 CO -0.50 -0.71 0.25 0.00 -1.18 0.00 0.00 179.01 176.88 1i2u h LYS 23 N 0.28 0.56 -0.01 0.00 3.64 -0.20 0.18 116.57 121.02 1i2u h LYS 23 Ca 0.50 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1i2u h LYS 23 Cb 0.94 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1i2u h LYS 23 CO -0.57 0.46 0.04 -0.09 -2.27 0.00 0.00 179.45 177.02 1i2u h ARG 24 N 0.52 0.00 -0.19 1.90 1.12 0.12 0.23 114.38 118.08 1i2u h ARG 24 Ca 0.14 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.01 1i2u h ARG 24 Cb 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.02 1i2u h ARG 24 CO -0.02 0.00 0.00 0.54 -3.11 0.00 0.00 179.97 177.38 1i2u n ARG 25 N -3.27 1.61 -0.76 0.20 1.74 0.51 -4.85 116.66 111.84 1i2u n ARG 25 Ca -0.03 -0.93 0.00 0.00 -0.77 0.00 0.00 57.85 56.13 1i2u n ARG 25 Cb 0.11 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1i2u n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i2u n GLY 26 N 1.02 0.77 3.84 -0.13 0.00 0.81 -5.03 105.19 106.49 1i2u n GLY 26 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1i2u n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i2u s TYR 27 N -2.89 3.48 0.47 1.61 2.02 -0.45 -4.95 117.35 116.63 1i2u s TYR 27 Ca 0.00 1.19 0.20 0.00 -0.37 0.00 0.00 57.07 58.08 1i2u s TYR 27 Cb 0.00 -2.49 1.19 0.00 -0.40 0.00 0.00 41.96 40.26 1i2u s TYR 27 CO 0.00 0.23 1.94 1.57 -1.57 0.00 0.00 175.55 177.72 1i2u h LYS 28 N 2.78 0.25 0.00 -0.62 2.10 -1.91 -3.30 116.57 115.87 1i2u h LYS 28 Ca -0.48 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1i2u h LYS 28 Cb 1.18 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1i2u h LYS 28 CO 0.66 0.17 0.00 0.41 -2.00 0.00 0.00 179.45 178.69 1i2u n GLY 29 N -1.57 3.17 0.00 0.07 0.00 -1.26 -4.85 105.19 100.75 1i2u n GLY 29 Ca 0.14 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1i2u n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i2u n GLY 30 N -1.55 4.03 3.81 -0.02 0.00 -1.26 -0.76 105.19 109.44 1i2u n GLY 30 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1i2u n GLY 30 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1i2u s HIS 31 N -2.25 -0.01 0.54 1.61 -3.43 0.25 -4.17 115.29 107.83 1i2u s HIS 31 Ca 0.00 -0.19 -0.16 0.00 -0.80 0.00 0.00 55.06 53.91 1i2u s HIS 31 Cb 0.00 0.59 -0.06 0.00 -1.43 0.00 0.00 32.58 31.68 1i2u s HIS 31 CO 0.00 -0.48 1.01 0.00 -2.00 0.00 0.00 174.74 173.28 1i2u n GLY 33 N -1.30 -1.27 0.73 0.00 0.00 0.25 -4.73 105.19 98.87 1i2u n GLY 33 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1i2u n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i2u n SER 34 N 0.00 0.00 -4.73 1.61 7.64 -1.26 -5.02 113.62 111.86 1i2u n SER 34 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1i2u n SER 34 Cb 0.00 0.18 -0.04 0.00 -1.01 0.00 0.00 64.21 63.35 1i2u n SER 34 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1i2u s PHE 35 N -0.54 3.60 -0.32 1.43 5.36 -1.26 -3.59 117.98 122.66 1i2u s PHE 35 Ca 0.00 1.57 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 1i2u s PHE 35 Cb 0.00 -3.26 0.00 0.00 -0.34 0.00 0.00 43.02 39.42 1i2u s PHE 35 CO 0.00 -0.59 0.00 0.00 -1.46 0.00 0.00 175.22 173.17 1i2u n ALA 36 N 2.82 -0.18 -3.13 11.12 0.00 -1.26 -3.80 120.51 126.07 1i2u n ALA 36 Ca 0.04 0.05 -0.00 0.00 0.00 0.00 0.00 53.44 53.53 1i2u n ALA 36 Cb 0.47 -0.55 -0.00 0.00 0.00 0.00 0.00 19.45 19.36 1i2u n ALA 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1i2u n ASN 37 N 0.33 -6.74 -0.05 0.00 4.13 -1.24 -4.86 115.26 106.83 1i2u n ASN 37 Ca -0.03 0.56 -0.07 0.00 1.68 0.00 0.00 54.58 56.72 1i2u n ASN 37 Cb 0.16 -1.90 -0.06 0.00 -1.54 0.00 0.00 39.78 36.45 1i2u n ASN 37 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1i2u n VAL 38 N 1.42 0.64 -3.94 2.41 0.24 -1.25 -3.12 118.33 114.73 1i2u n VAL 38 Ca -0.01 -0.29 -0.09 0.00 -2.04 0.00 0.00 64.34 61.92 1i2u n VAL 38 Cb 0.40 -0.86 -0.09 0.00 -1.47 0.00 0.00 33.84 31.82 1i2u n VAL 38 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1i2u s ASN 39 N -4.80 0.23 -0.21 -1.34 -0.87 -1.26 -1.07 114.94 105.62 1i2u s ASN 39 Ca -0.12 -0.69 -0.05 0.00 -1.57 0.00 0.00 52.86 50.43 1i2u s ASN 39 Cb 0.04 0.27 -0.02 0.00 -0.02 0.00 0.00 41.25 41.51 1i2u s ASN 39 CO 0.30 -0.62 0.01 0.00 -2.57 0.00 0.00 177.10 174.22 1i2u s TRP 41 N 1.18 2.67 0.43 0.00 0.52 0.18 -3.00 118.94 120.92 1i2u s TRP 41 Ca 0.03 -0.19 0.07 0.00 0.02 0.00 0.00 56.10 56.04 1i2u s TRP 41 Cb -0.14 -1.48 -0.02 0.00 -1.15 0.00 0.00 33.47 30.68 1i2u s TRP 41 CO 0.02 0.33 0.34 0.00 0.02 0.00 0.00 176.95 177.66 1i2u n GLU 43 N -1.51 0.63 0.00 0.00 4.71 0.06 -1.24 120.64 123.28 1i2u n GLU 43 Ca 0.02 0.20 0.00 0.00 -0.01 0.00 0.00 57.16 57.38 1i2u n GLU 43 Cb 0.63 -1.78 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 1i2u n GLU 43 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85