#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 2.06 0.59 12.58 1.01 -1.26 -1.96 121.20 134.21 1sxm s ILE 2 Ca 0.00 -1.13 0.09 0.00 0.00 0.00 0.00 60.65 59.61 1sxm s ILE 2 Cb 0.00 -1.96 0.09 0.00 0.01 0.00 0.00 42.46 40.60 1sxm s ILE 2 CO 0.00 0.36 0.77 0.27 0.00 0.00 0.00 174.94 176.34 1sxm s ILE 3 N 1.25 1.99 -0.67 2.92 -4.36 -1.00 -4.97 121.20 116.36 1sxm s ILE 3 Ca 0.01 -1.06 0.06 0.00 -0.26 0.00 0.00 60.65 59.40 1sxm s ILE 3 Cb -0.15 -2.05 0.22 0.00 1.25 0.00 0.00 42.46 41.73 1sxm s ILE 3 CO -0.10 0.00 0.66 0.59 0.24 0.00 0.00 174.94 176.33 1sxm n ASN 4 N -2.23 3.52 -3.95 4.36 4.13 -1.26 -4.16 115.26 115.67 1sxm n ASN 4 Ca 0.14 -3.36 -0.24 0.00 1.68 0.00 0.00 54.58 52.80 1sxm n ASN 4 Cb 0.62 -0.71 -0.17 0.00 -1.54 0.00 0.00 39.78 37.98 1sxm n ASN 4 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1sxm s VAL 5 N -2.10 0.93 0.14 2.41 1.01 -1.26 -5.00 120.40 116.52 1sxm s VAL 5 Ca 0.34 -0.31 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 1sxm s VAL 5 Cb 0.08 -0.91 -0.07 0.00 0.00 0.00 0.00 36.38 35.47 1sxm s VAL 5 CO -0.07 0.33 0.80 -0.54 0.00 0.00 0.00 175.10 175.62 1sxm s LYS 6 N 1.10 4.59 0.27 2.72 -0.14 -1.26 -1.78 119.74 125.23 1sxm s LYS 6 Ca -0.07 1.19 0.03 0.00 -1.36 0.00 0.00 55.97 55.76 1sxm s LYS 6 Cb -0.14 -3.30 -0.01 0.00 -1.68 0.00 0.00 37.83 32.70 1sxm s LYS 6 CO -0.01 0.47 0.29 0.00 -0.76 0.00 0.00 175.35 175.33 1sxm n THR 8 N -0.49 0.00 -3.59 0.00 5.66 -1.26 -4.60 114.28 110.00 1sxm n THR 8 Ca 0.04 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.98 1sxm n THR 8 Cb 0.48 0.31 -0.03 0.00 -1.55 0.00 0.00 70.33 69.53 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 -0.48 -0.19 0.48 1.09 1.04 -1.26 -5.03 113.70 109.35 1sxm s SER 9 Ca 0.00 0.10 0.31 0.00 0.48 0.00 0.00 55.95 56.85 1sxm s SER 9 Cb 0.00 0.18 1.31 0.00 0.10 0.00 0.00 66.02 67.61 1sxm s SER 9 CO 0.00 -0.26 1.93 -0.65 0.98 0.00 0.00 173.24 175.24 1sxm h PRO 10 N 2.14 0.00 0.00 4.02 0.11 -1.88 -3.14 132.00 133.25 1sxm h PRO 10 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1sxm h PRO 10 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1sxm h PRO 10 CO 0.25 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.67 1sxm n LYS 11 N -2.87 0.07 0.00 1.05 4.76 -1.26 -2.02 118.16 117.89 1sxm n LYS 11 Ca 0.01 0.07 0.12 0.00 -2.87 0.00 0.00 58.31 55.64 1sxm n LYS 11 Cb 0.27 -1.58 0.23 0.00 -1.84 0.00 0.00 35.03 32.12 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 -1.70 1.01 -0.00 1.97 -0.06 -1.19 -3.91 117.38 113.50 1sxm n GLN 12 Ca 0.06 -0.71 0.04 0.00 -2.00 0.00 0.00 57.00 54.40 1sxm n GLN 12 Cb 0.35 -1.49 -0.06 0.00 -4.06 0.00 0.00 30.24 24.99 1sxm n GLN 12 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1sxm n SER 14 N -1.48 0.66 -0.06 0.00 7.64 -0.86 -2.70 113.62 116.83 1sxm n SER 14 Ca 0.00 -1.08 -0.04 0.00 1.01 0.00 0.00 58.87 58.76 1sxm n SER 14 Cb 0.18 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 1sxm n SER 14 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1sxm h LYS 15 N 0.99 0.00 -0.19 1.43 1.79 -1.75 -3.16 116.57 115.68 1sxm h LYS 15 Ca 0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 1sxm h LYS 15 Cb 0.27 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1sxm h LYS 15 CO 0.00 0.25 -0.16 -1.00 -1.08 0.00 0.00 179.45 177.47 1sxm h PRO 16 N -1.00 0.45 0.00 3.15 0.13 -1.80 -3.14 132.00 129.79 1sxm h PRO 16 Ca -0.02 -0.22 -0.09 0.00 -0.87 0.00 0.00 66.00 64.80 1sxm h PRO 16 Cb 0.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 1sxm h PRO 16 CO -0.01 0.78 -0.42 0.00 -0.23 0.00 0.00 178.00 178.12 1sxm n LYS 18 N -3.96 0.05 0.13 0.00 5.02 -1.19 -1.02 118.16 117.19 1sxm n LYS 18 Ca -0.02 0.02 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1sxm n LYS 18 Cb 0.46 -1.53 0.04 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 0.00 0.00 0.00 1.97 4.81 -1.40 -3.30 114.58 116.66 1sxm h GLU 19 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sxm h GLU 19 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1sxm h GLU 19 CO 0.00 0.09 -0.07 1.28 -0.73 0.00 0.00 179.01 179.57 1sxm n LEU 20 N -2.89 0.18 -0.01 1.64 4.77 -0.47 -4.81 117.00 115.41 1sxm n LEU 20 Ca 0.00 0.16 -0.04 0.00 -0.03 0.00 0.00 56.01 56.10 1sxm n LEU 20 Cb 0.60 -0.53 -0.12 0.00 -2.33 0.00 0.00 43.42 41.04 1sxm n LEU 20 CO 0.39 -0.49 -0.49 -1.22 -1.33 0.00 0.00 177.39 174.25 1sxm n TYR 21 N -2.58 0.87 0.00 -1.77 4.02 -0.19 -5.08 117.16 112.43 1sxm n TYR 21 Ca -0.01 0.30 0.00 0.00 -0.01 0.00 0.00 57.90 58.18 1sxm n TYR 21 Cb 0.04 -1.11 0.00 0.00 -0.02 0.00 0.00 39.34 38.25 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 -1.09 0.00 2.72 0.00 -1.17 -4.71 105.19 102.44 1sxm n GLY 22 Ca -0.15 -2.16 0.09 0.00 0.00 0.00 0.00 46.02 43.80 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 0.00 0.00 -3.51 1.61 7.64 -1.26 -2.88 113.62 115.23 1sxm n SER 23 Ca 0.00 -0.06 -0.35 0.00 1.01 0.00 0.00 58.87 59.47 1sxm n SER 23 Cb 0.00 -0.24 -0.02 0.00 -1.01 0.00 0.00 64.21 62.94 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 -1.24 5.79 -4.54 6.43 2.88 -1.26 -5.02 113.62 116.65 1sxm n SER 24 Ca 0.09 -3.59 -0.32 0.00 -1.33 0.00 0.00 58.87 53.73 1sxm n SER 24 Cb 0.13 -0.95 -0.11 0.00 -0.75 0.00 0.00 64.21 62.53 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 -3.44 2.86 -0.91 -1.46 0.00 -1.14 -3.90 121.76 113.77 1sxm s ALA 25 Ca 0.40 -1.04 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 1sxm s ALA 25 Cb 0.17 -1.02 0.23 0.00 0.00 0.00 0.00 23.12 22.51 1sxm s ALA 25 CO -0.06 0.59 0.85 0.20 0.00 0.00 0.00 175.76 177.35 1sxm s GLY 26 N -1.25 2.90 -0.41 0.00 0.00 -1.08 -4.35 107.32 103.13 1sxm s GLY 26 Ca 0.15 -3.57 -0.18 0.00 0.00 0.00 0.00 44.72 41.13 1sxm s GLY 26 CO 0.05 1.26 0.48 0.00 0.00 0.00 0.00 173.10 174.89 1sxm s ALA 27 N -0.55 3.42 0.01 3.20 0.00 -1.26 -1.71 121.76 124.87 1sxm s ALA 27 Ca 0.23 -1.38 0.07 0.00 0.00 0.00 0.00 51.96 50.89 1sxm s ALA 27 Cb -0.11 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1sxm s ALA 27 CO -0.08 -1.54 -0.22 0.15 0.00 0.00 0.00 175.76 174.07 1sxm s LYS 28 N 2.28 1.67 -0.18 0.00 1.02 -1.00 -4.84 119.74 118.70 1sxm s LYS 28 Ca 0.15 -0.87 -0.05 0.00 0.02 0.00 0.00 55.97 55.22 1sxm s LYS 28 Cb -0.16 -1.69 0.06 0.00 -0.52 0.00 0.00 37.83 35.52 1sxm s LYS 28 CO 0.14 0.45 0.09 0.00 -0.92 0.00 0.00 175.35 175.12 1sxm s MET 30 N 2.13 3.52 1.04 0.00 -1.94 -1.02 -4.68 119.30 118.34 1sxm s MET 30 Ca 0.02 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.43 1sxm s MET 30 Cb -0.16 -3.02 0.00 0.00 2.01 0.00 0.00 34.83 33.66 1sxm s MET 30 CO -0.11 -0.04 0.00 0.09 -0.01 0.00 0.00 175.02 174.95 1sxm n ASN 31 N 4.37 0.00 -2.67 3.03 4.13 -1.26 -2.54 115.26 120.32 1sxm n ASN 31 Ca -0.18 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.03 1sxm n ASN 31 Cb 0.52 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.82 1sxm n ASN 31 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sxm n GLY 32 N 0.00 0.49 3.27 7.41 0.00 -1.26 -4.85 105.19 110.25 1sxm n GLY 32 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 0.65 0.11 1.61 1.02 -1.05 -3.23 119.74 118.97 1sxm s LYS 33 Ca 0.14 -0.02 0.03 0.00 0.02 0.00 0.00 55.97 56.15 1sxm s LYS 33 Cb 0.26 0.30 -0.04 0.00 -0.52 0.00 0.00 37.83 37.83 1sxm s LYS 33 CO -0.06 -0.17 0.11 0.00 -0.92 0.00 0.00 175.35 174.32 1sxm s LYS 35 N -2.65 0.61 -0.12 0.00 1.02 -0.48 -2.38 119.74 115.74 1sxm s LYS 35 Ca 0.30 -0.25 0.02 0.00 0.02 0.00 0.00 55.97 56.06 1sxm s LYS 35 Cb -0.12 -0.59 0.01 0.00 -0.52 0.00 0.00 37.83 36.61 1sxm s LYS 35 CO 0.23 0.15 -0.20 0.00 -0.92 0.00 0.00 175.35 174.61 1sxm n TYR 37 N 4.05 0.00 -3.27 0.00 4.01 -0.70 -3.20 117.16 118.05 1sxm n TYR 37 Ca -0.20 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.29 1sxm n TYR 37 Cb 0.52 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.47 1sxm n TYR 37 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1sxm n ASN 38 N -0.59 1.52 -0.49 7.72 3.02 -1.26 -2.63 115.26 122.55 1sxm n ASN 38 Ca 0.00 -2.98 0.14 0.00 -0.03 0.00 0.00 54.58 51.71 1sxm n ASN 38 Cb 0.00 -0.65 0.52 0.00 -0.61 0.00 0.00 39.78 39.04 1sxm n ASN 38 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23