#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 0.58 -0.05 0.11 2.20 -0.30 -4.65 119.74 117.63 1i2u s LYS 2 Ca 0.00 0.11 -0.28 0.00 -0.36 0.00 0.00 55.97 55.44 1i2u s LYS 2 Cb 0.00 0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 36.56 1i2u s LYS 2 CO 0.00 -0.13 0.91 -1.17 -0.36 0.00 0.00 175.35 174.59 1i2u s LEU 3 N -0.69 4.32 0.00 5.43 2.96 -1.26 0.11 118.68 129.55 1i2u s LEU 3 Ca -0.08 1.48 0.00 0.00 -0.22 0.00 0.00 54.13 55.31 1i2u s LEU 3 Cb -0.04 -3.42 0.00 0.00 0.50 0.00 0.00 46.19 43.23 1i2u s LEU 3 CO 0.03 -0.27 0.67 2.30 -1.32 0.00 0.00 176.35 177.76 1i2u n ILE 4 N 4.06 0.40 -0.79 6.68 -6.64 -1.13 -4.94 119.36 117.00 1i2u n ILE 4 Ca 0.05 -0.65 0.00 0.00 -1.77 0.00 0.00 62.75 60.37 1i2u n ILE 4 Cb 0.50 0.85 0.00 0.00 -1.44 0.00 0.00 39.64 39.56 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 -0.20 -1.89 0.57 3.28 0.00 -1.25 -4.99 105.19 100.71 1i2u n GLY 5 Ca 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 46.02 44.85 1i2u n GLY 5 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i2u n SER 6 N 1.55 0.30 -0.39 1.61 2.88 -0.52 -1.48 113.62 117.57 1i2u n SER 6 Ca 0.00 -1.22 0.00 0.00 -1.33 0.00 0.00 58.87 56.32 1i2u n SER 6 Cb 0.00 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 1i2u n SER 6 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i2u h VAL 8 N 5.65 0.46 -4.73 0.00 2.07 -1.56 -3.29 116.25 114.85 1i2u h VAL 8 Ca 0.00 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1i2u h VAL 8 Cb 1.21 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1i2u h VAL 8 CO 0.00 0.19 -0.07 1.87 0.02 0.00 0.00 177.57 179.58 1i2u n TRP 9 N -3.32 -2.26 0.00 1.57 -0.00 -1.26 -4.78 117.44 107.38 1i2u n TRP 9 Ca 0.00 0.87 0.00 0.00 -0.00 0.00 0.00 57.50 58.38 1i2u n TRP 9 Cb 0.43 -3.42 0.00 0.00 -0.00 0.00 0.00 31.31 28.32 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 -1.34 0.57 3.77 5.87 0.00 -1.26 -5.13 105.19 107.66 1i2u n GLY 10 Ca 0.02 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.89 -0.15 4.61 0.00 -1.26 -4.90 121.76 121.94 1i2u s ALA 11 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 1i2u s ALA 11 Cb 0.00 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 1i2u s ALA 11 CO 0.00 -2.07 2.58 1.55 0.00 0.00 0.00 175.76 177.83 1i2u n VAL 12 N -3.66 2.68 -1.81 0.00 3.14 -1.26 -3.58 118.33 113.84 1i2u n VAL 12 Ca 0.07 -1.47 -0.02 0.00 -2.96 0.00 0.00 64.34 59.96 1i2u n VAL 12 Cb 0.56 -1.61 -0.02 0.00 -1.06 0.00 0.00 33.84 31.71 1i2u n VAL 12 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1i2u n ASN 13 N 1.39 -0.24 -4.76 6.55 4.05 -1.26 -5.08 115.26 115.91 1i2u n ASN 13 Ca 0.27 -1.02 -0.40 0.00 0.45 0.00 0.00 54.58 53.89 1i2u n ASN 13 Cb 0.64 0.07 -0.06 0.00 1.23 0.00 0.00 39.78 41.67 1i2u n ASN 13 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1i2u s TYR 14 N 0.00 3.85 -0.55 1.20 5.04 -1.23 -1.44 117.35 124.22 1i2u s TYR 14 Ca 0.00 1.85 -0.07 0.00 -2.44 0.00 0.00 57.07 56.41 1i2u s TYR 14 Cb 0.00 -3.05 0.14 0.00 0.35 0.00 0.00 41.96 39.40 1i2u s TYR 14 CO 0.00 0.17 0.41 0.95 -1.34 0.00 0.00 175.55 175.74 1i2u s THR 15 N -1.23 4.11 0.25 4.34 -4.23 -1.24 -4.92 115.64 112.73 1i2u s THR 15 Ca 0.43 -2.24 -0.06 0.00 -1.18 0.00 0.00 61.69 58.64 1i2u s THR 15 Cb -0.27 -3.69 0.26 0.00 1.34 0.00 0.00 72.50 70.14 1i2u s THR 15 CO 0.33 -0.83 1.93 -1.28 -0.54 0.00 0.00 174.62 174.23 1i2u h SER 16 N 7.91 1.14 -2.57 3.99 0.87 -1.95 -3.06 113.55 119.88 1i2u h SER 16 Ca -0.10 -0.03 -0.70 0.00 -1.23 0.00 0.00 61.79 59.73 1i2u h SER 16 Cb 1.03 -0.28 -0.35 0.00 -0.44 0.00 0.00 62.40 62.35 1i2u h SER 16 CO 0.78 0.82 0.07 -0.67 -0.53 0.00 0.00 176.83 177.31 1i2u n ASP 17 N -4.39 5.03 -0.27 6.23 -0.08 -1.26 -4.88 116.55 116.93 1i2u n ASP 17 Ca 0.12 -3.42 0.08 0.00 -1.51 0.00 0.00 54.79 50.06 1i2u n ASP 17 Cb 0.02 -0.96 0.21 0.00 2.34 0.00 0.00 41.12 42.72 1i2u n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i2u h ASN 19 N 0.22 0.40 -0.60 0.00 -0.00 -1.77 -0.21 115.58 113.62 1i2u h ASN 19 Ca 0.46 -0.63 0.11 0.00 -0.00 0.00 0.00 56.30 56.24 1i2u h ASN 19 Cb 0.84 -0.12 -0.08 0.00 -0.00 0.00 0.00 38.32 38.96 1i2u h ASN 19 CO -0.59 0.96 0.15 1.23 -0.00 0.00 0.00 177.43 179.18 1i2u h GLY 20 N -0.13 0.78 0.81 1.57 0.00 -1.64 0.36 103.07 104.82 1i2u h GLY 20 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1i2u h GLY 20 CO 0.06 -0.09 0.02 -2.09 0.00 0.00 0.00 176.54 174.45 1i2u h GLU 21 N 0.29 0.18 -0.32 4.80 4.57 -0.79 -0.76 114.58 122.55 1i2u h GLU 21 Ca 0.31 -0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.51 1i2u h GLU 21 Cb 0.44 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.94 1i2u h GLU 21 CO -0.37 0.36 -0.11 0.00 -1.18 0.00 0.00 179.01 177.71 1i2u h LYS 23 N -0.04 0.89 -0.10 0.00 1.79 -0.24 0.15 116.57 119.04 1i2u h LYS 23 Ca 0.16 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.61 1i2u h LYS 23 Cb 0.28 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1i2u h LYS 23 CO -0.35 0.59 0.16 -0.09 -1.08 0.00 0.00 179.45 178.68 1i2u h ARG 24 N 0.92 0.00 -0.62 3.15 2.43 0.43 0.28 114.38 120.96 1i2u h ARG 24 Ca 0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1i2u h ARG 24 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1i2u h ARG 24 CO -0.10 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.90 1i2u n ARG 25 N -3.53 2.83 -0.83 0.20 1.74 0.37 -4.88 116.66 112.56 1i2u n ARG 25 Ca -0.00 -2.30 0.00 0.00 -0.77 0.00 0.00 57.85 54.78 1i2u n ARG 25 Cb 0.26 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 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 1.26 0.87 0.00 -0.13 0.00 0.97 -5.03 105.19 103.13 1i2u n GLY 26 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1i2u n GLY 26 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i2u n TYR 27 N -2.11 -2.09 -0.00 1.61 4.01 -0.24 -4.95 117.16 113.40 1i2u n TYR 27 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1i2u n TYR 27 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1i2u n TYR 27 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1i2u n LYS 28 N -0.65 2.26 -3.62 -0.72 0.00 -1.26 -4.42 118.16 109.76 1i2u n LYS 28 Ca 0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1i2u n LYS 28 Cb 0.00 -1.01 -0.04 0.00 -0.00 0.00 0.00 35.03 33.99 1i2u n LYS 28 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1i2u s GLY 29 N -2.60 -0.10 -0.06 2.58 0.00 -1.26 -4.87 107.32 101.00 1i2u s GLY 29 Ca -0.00 2.27 -0.29 0.00 0.00 0.00 0.00 44.72 46.70 1i2u s GLY 29 CO 0.01 0.89 0.87 -0.32 0.00 0.00 0.00 173.10 174.55 1i2u s GLY 30 N -1.44 -0.42 0.12 0.20 0.00 -1.26 0.45 107.32 104.97 1i2u s GLY 30 Ca 0.07 1.41 -0.25 0.00 0.00 0.00 0.00 44.72 45.96 1i2u s GLY 30 CO -0.05 0.70 1.07 -2.38 0.00 0.00 0.00 173.10 172.45 1i2u s HIS 31 N -2.05 -0.02 1.08 1.90 -3.43 0.70 -2.16 115.29 111.31 1i2u s HIS 31 Ca -0.01 -0.27 -0.12 0.00 -0.80 0.00 0.00 55.06 53.86 1i2u s HIS 31 Cb -0.01 0.64 0.24 0.00 -1.43 0.00 0.00 32.58 32.02 1i2u s HIS 31 CO -0.02 -0.72 1.06 0.00 -2.00 0.00 0.00 174.74 173.06 1i2u n GLY 33 N 0.21 -1.25 0.00 0.00 0.00 -1.08 -4.68 105.19 98.39 1i2u n GLY 33 Ca 0.05 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 -4.84 1.61 7.64 -1.26 -4.93 113.62 111.84 1i2u n SER 34 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1i2u n SER 34 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 -0.76 3.69 -0.44 1.43 5.36 -1.26 -4.17 117.98 121.84 1i2u s PHE 35 Ca 0.00 0.96 0.00 0.00 -0.96 0.00 0.00 56.93 56.93 1i2u s PHE 35 Cb 0.00 -2.27 0.00 0.00 -0.34 0.00 0.00 43.02 40.41 1i2u s PHE 35 CO 0.00 0.60 0.00 0.00 -1.46 0.00 0.00 175.22 174.36 1i2u n ALA 36 N 1.53 -0.80 -2.81 11.12 0.00 -1.26 -3.46 120.51 124.83 1i2u n ALA 36 Ca -0.12 0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 1i2u n ALA 36 Cb 0.52 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.34 -5.27 0.00 0.00 3.02 -1.26 -4.89 115.26 105.51 1i2u n ASN 37 Ca -0.06 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 1i2u n ASN 37 Cb 0.49 -4.17 0.00 0.00 -0.61 0.00 0.00 39.78 35.50 1i2u n ASN 37 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1i2u n VAL 38 N 1.39 0.00 -4.13 2.41 0.24 -1.22 -3.34 118.33 113.68 1i2u n VAL 38 Ca -0.14 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.00 1i2u n VAL 38 Cb 0.30 -0.26 -0.12 0.00 -1.47 0.00 0.00 33.84 32.29 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 -1.64 1.26 -0.24 -1.34 0.01 -1.26 0.92 114.94 112.65 1i2u s ASN 39 Ca 0.00 -0.56 -0.04 0.00 -0.71 0.00 0.00 52.86 51.55 1i2u s ASN 39 Cb 0.00 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.65 1i2u s ASN 39 CO 0.00 -0.13 -0.04 0.00 -1.51 0.00 0.00 177.10 175.43 1i2u s TRP 41 N 1.44 3.42 0.37 0.00 0.52 0.46 -2.82 118.94 122.33 1i2u s TRP 41 Ca 0.04 0.31 0.08 0.00 0.02 0.00 0.00 56.10 56.55 1i2u s TRP 41 Cb -0.15 -1.81 -0.02 0.00 -1.15 0.00 0.00 33.47 30.34 1i2u s TRP 41 CO -0.03 0.61 0.36 0.00 0.02 0.00 0.00 176.95 177.91 1i2u n GLU 43 N -1.49 3.07 0.00 0.00 1.02 0.17 -1.15 120.64 122.26 1i2u n GLU 43 Ca 0.01 -3.88 0.01 0.00 -0.02 0.00 0.00 57.16 53.28 1i2u n GLU 43 Cb 0.60 -2.27 0.04 0.00 -0.02 0.00 0.00 31.44 29.80 1i2u n GLU 43 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56