#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxm s ILE 2 N 0.00 1.46 0.15 1.09 1.01 -1.26 -2.08 121.20 121.57 1sxm s ILE 2 Ca 0.00 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1sxm s ILE 2 Cb 0.00 -1.41 0.02 0.00 0.01 0.00 0.00 42.46 41.08 1sxm s ILE 2 CO 0.00 0.40 0.15 2.30 0.00 0.00 0.00 174.94 177.80 1sxm n ILE 3 N 4.80 0.00 -3.45 2.92 -5.35 -1.00 -4.96 119.36 112.32 1sxm n ILE 3 Ca -0.16 -0.57 -0.27 0.00 -0.27 0.00 0.00 62.75 61.49 1sxm n ILE 3 Cb 0.50 -0.57 -0.10 0.00 -1.74 0.00 0.00 39.64 37.73 1sxm n ILE 3 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1sxm n ASN 4 N -2.29 0.55 -4.12 7.28 0.23 -1.26 -4.16 115.26 111.49 1sxm n ASN 4 Ca 0.01 -2.66 -0.32 0.00 -0.53 0.00 0.00 54.58 51.09 1sxm n ASN 4 Cb 0.17 -0.61 -0.16 0.00 -2.08 0.00 0.00 39.78 37.09 1sxm n ASN 4 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1sxm s VAL 5 N -0.62 1.95 0.08 3.53 1.01 -1.26 -4.95 120.40 120.13 1sxm s VAL 5 Ca 0.32 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 1sxm s VAL 5 Cb 0.06 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1sxm s VAL 5 CO -0.17 0.52 0.93 -0.54 0.00 0.00 0.00 175.10 175.85 1sxm s LYS 6 N 1.10 4.64 0.24 2.72 -0.14 -1.26 -2.14 119.74 124.89 1sxm s LYS 6 Ca -0.01 1.37 0.01 0.00 -1.36 0.00 0.00 55.97 55.99 1sxm s LYS 6 Cb -0.14 -3.39 -0.00 0.00 -1.68 0.00 0.00 37.83 32.62 1sxm s LYS 6 CO -0.07 0.19 0.28 0.00 -0.76 0.00 0.00 175.35 174.99 1sxm n THR 8 N -0.41 0.00 -3.61 0.00 5.66 -1.26 -4.38 114.28 110.27 1sxm n THR 8 Ca 0.02 -0.16 -0.06 0.00 -3.05 0.00 0.00 64.05 60.80 1sxm n THR 8 Cb 0.41 0.44 -0.05 0.00 -1.55 0.00 0.00 70.33 69.58 1sxm n THR 8 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1sxm s SER 9 N -0.88 -0.21 0.38 1.09 1.04 -1.26 -5.03 113.70 108.83 1sxm s SER 9 Ca 0.05 0.23 0.28 0.00 0.48 0.00 0.00 55.95 56.99 1sxm s SER 9 Cb 0.06 0.18 1.20 0.00 0.10 0.00 0.00 66.02 67.55 1sxm s SER 9 CO -0.03 -0.19 1.83 -0.65 0.98 0.00 0.00 173.24 175.18 1sxm h PRO 10 N 2.34 0.00 -0.24 4.02 0.11 -1.88 -2.87 132.00 133.46 1sxm h PRO 10 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1sxm h PRO 10 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1sxm h PRO 10 CO 0.27 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.69 1sxm n LYS 11 N -2.55 1.66 -0.72 1.05 4.76 -1.26 -2.37 118.16 118.73 1sxm n LYS 11 Ca 0.01 -1.02 -0.01 0.00 -2.87 0.00 0.00 58.31 54.42 1sxm n LYS 11 Cb 0.23 -1.28 0.21 0.00 -1.84 0.00 0.00 35.03 32.34 1sxm n LYS 11 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1sxm n GLN 12 N 0.29 1.98 0.00 1.97 7.27 -1.08 -4.51 117.38 123.30 1sxm n GLN 12 Ca 0.12 -3.11 0.00 0.00 0.07 0.00 0.00 57.00 54.08 1sxm n GLN 12 Cb 0.26 -1.80 0.00 0.00 2.41 0.00 0.00 30.24 31.11 1sxm n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sxm n SER 14 N 0.00 0.92 -0.06 0.00 3.41 -1.00 -2.77 113.62 114.12 1sxm n SER 14 Ca 0.00 -1.36 -0.06 0.00 -0.26 0.00 0.00 58.87 57.19 1sxm n SER 14 Cb 0.00 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 63.89 1sxm n SER 14 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1sxm h LYS 15 N 1.40 0.00 -0.34 4.33 6.56 -1.88 -3.15 116.57 123.49 1sxm h LYS 15 Ca 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.47 1sxm h LYS 15 Cb 0.30 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 1sxm h LYS 15 CO 0.00 0.35 -0.25 -1.00 -2.06 0.00 0.00 179.45 176.49 1sxm h PRO 16 N -1.00 0.77 -0.08 3.15 0.13 -1.91 -3.05 132.00 130.01 1sxm h PRO 16 Ca -0.02 -0.37 -0.09 0.00 -0.87 0.00 0.00 66.00 64.65 1sxm h PRO 16 Cb 0.41 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 1sxm h PRO 16 CO -0.01 0.99 -0.37 0.00 -0.23 0.00 0.00 178.00 178.38 1sxm n LYS 18 N -4.07 0.30 0.12 0.00 5.02 -1.19 -0.79 118.16 117.56 1sxm n LYS 18 Ca -0.01 -0.15 0.11 0.00 -2.02 0.00 0.00 58.31 56.23 1sxm n LYS 18 Cb 0.44 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1sxm n LYS 18 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1sxm h GLU 19 N 0.37 0.00 0.00 1.97 4.57 -1.35 -3.21 114.58 116.94 1sxm h GLU 19 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1sxm h GLU 19 Cb 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1sxm h GLU 19 CO 0.00 0.03 -0.23 1.28 -1.18 0.00 0.00 179.01 178.91 1sxm n LEU 20 N -2.79 0.65 0.00 1.64 4.77 -0.58 -4.75 117.00 115.95 1sxm n LEU 20 Ca 0.00 0.31 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1sxm n LEU 20 Cb 0.57 -0.62 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1sxm n LEU 20 CO 0.39 -0.47 0.13 -1.22 -1.33 0.00 0.00 177.39 174.89 1sxm n TYR 21 N -3.11 0.01 0.00 -1.77 4.02 0.03 -5.03 117.16 111.31 1sxm n TYR 21 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1sxm n TYR 21 Cb 0.12 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 1sxm n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sxm n GLY 22 N 1.49 1.99 0.00 2.72 0.00 -1.21 -3.59 105.19 106.59 1sxm n GLY 22 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1sxm n GLY 22 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sxm n SER 23 N 3.92 0.00 -3.77 1.61 7.64 -1.26 -4.62 113.62 117.14 1sxm n SER 23 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1sxm n SER 23 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1sxm n SER 23 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1sxm n SER 24 N 0.00 5.55 -4.02 6.43 2.88 -1.24 -4.96 113.62 118.27 1sxm n SER 24 Ca 0.00 -3.44 -0.27 0.00 -1.33 0.00 0.00 58.87 53.82 1sxm n SER 24 Cb 0.00 -1.05 -0.17 0.00 -0.75 0.00 0.00 64.21 62.24 1sxm n SER 24 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sxm s ALA 25 N -2.77 1.52 -0.84 -1.46 0.00 -1.26 -3.83 121.76 113.12 1sxm s ALA 25 Ca 0.35 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.59 1sxm s ALA 25 Cb 0.09 -0.79 0.22 0.00 0.00 0.00 0.00 23.12 22.64 1sxm s ALA 25 CO 0.06 -0.10 0.76 0.20 0.00 0.00 0.00 175.76 176.68 1sxm s GLY 26 N 1.05 2.78 -0.37 0.00 0.00 -1.10 -4.26 107.32 105.41 1sxm s GLY 26 Ca -0.06 -3.46 -0.19 0.00 0.00 0.00 0.00 44.72 41.01 1sxm s GLY 26 CO -0.02 1.23 0.57 0.00 0.00 0.00 0.00 173.10 174.88 1sxm s ALA 27 N -0.29 3.44 0.06 3.20 0.00 -1.26 -1.81 121.76 125.10 1sxm s ALA 27 Ca 0.21 -1.05 0.08 0.00 0.00 0.00 0.00 51.96 51.20 1sxm s ALA 27 Cb -0.12 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1sxm s ALA 27 CO -0.08 -1.39 -0.21 0.15 0.00 0.00 0.00 175.76 174.23 1sxm s LYS 28 N 2.54 1.33 -0.16 0.00 -0.14 -0.97 -4.84 119.74 117.51 1sxm s LYS 28 Ca 0.20 -1.02 -0.04 0.00 -1.36 0.00 0.00 55.97 53.75 1sxm s LYS 28 Cb -0.15 -1.50 0.08 0.00 -1.68 0.00 0.00 37.83 34.58 1sxm s LYS 28 CO 0.15 0.37 0.25 0.00 -0.76 0.00 0.00 175.35 175.36 1sxm s MET 30 N 2.39 2.86 1.05 0.00 -1.94 -1.06 -4.60 119.30 118.00 1sxm s MET 30 Ca 0.04 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.22 1sxm s MET 30 Cb -0.13 -2.28 0.00 0.00 2.01 0.00 0.00 34.83 34.42 1sxm s MET 30 CO -0.10 0.02 0.00 0.09 -0.01 0.00 0.00 175.02 175.02 1sxm n ASN 31 N 3.95 0.00 -2.68 3.03 3.02 -1.26 -2.62 115.26 118.70 1sxm n ASN 31 Ca -0.20 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.30 1sxm n ASN 31 Cb 0.52 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.76 1sxm n ASN 31 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxm n GLY 32 N 0.00 0.45 3.30 7.41 0.00 -1.26 -4.68 105.19 110.41 1sxm n GLY 32 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1sxm n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxm s LYS 33 N 0.13 0.77 0.11 1.61 1.02 -1.08 -3.62 119.74 118.70 1sxm s LYS 33 Ca 0.15 -0.13 0.04 0.00 0.02 0.00 0.00 55.97 56.04 1sxm s LYS 33 Cb 0.26 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.88 1sxm s LYS 33 CO -0.06 -0.23 0.12 0.00 -0.92 0.00 0.00 175.35 174.26 1sxm s LYS 35 N -2.68 0.53 -0.23 0.00 1.02 -0.56 -2.38 119.74 115.42 1sxm s LYS 35 Ca 0.30 -0.18 0.01 0.00 0.02 0.00 0.00 55.97 56.13 1sxm s LYS 35 Cb -0.11 -0.53 0.06 0.00 -0.52 0.00 0.00 37.83 36.72 1sxm s LYS 35 CO 0.23 0.08 -0.07 0.00 -0.92 0.00 0.00 175.35 174.67 1sxm n TYR 37 N 4.64 -0.13 -3.76 0.00 4.01 -0.75 -4.56 117.16 116.60 1sxm n TYR 37 Ca -0.13 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.31 1sxm n TYR 37 Cb 0.44 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.32 1sxm n TYR 37 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1sxm s ASN 38 N -0.23 4.07 0.00 7.72 0.01 -1.26 -2.72 114.94 122.53 1sxm s ASN 38 Ca 0.00 -1.84 0.00 0.00 -0.71 0.00 0.00 52.86 50.31 1sxm s ASN 38 Cb 0.00 -0.98 0.00 0.00 0.41 0.00 0.00 41.25 40.68 1sxm s ASN 38 CO 0.00 -0.39 0.12 0.59 -1.51 0.00 0.00 177.10 175.91