#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 1.03 0.11 2.28 1.01 -1.26 -1.98 121.20 122.39 1sxm s ILE 2 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1sxm s ILE 2 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.48 1sxm s ILE 2 CO 0.00 0.35 0.06 2.30 0.00 0.00 0.00 174.94 177.65 1sxm n ILE 3 N 4.40 0.00 -3.60 2.92 -5.35 -0.95 -4.91 119.36 111.87 1sxm n ILE 3 Ca -0.18 -0.46 -0.27 0.00 -0.27 0.00 0.00 62.75 61.57 1sxm n ILE 3 Cb 0.51 -0.26 -0.11 0.00 -1.74 0.00 0.00 39.64 38.04 1sxm n ILE 3 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1sxm s ASN 4 N -1.63 2.81 -0.06 7.28 0.01 -1.26 -4.29 114.94 117.80 1sxm s ASN 4 Ca 0.04 -3.37 0.02 0.00 -0.71 0.00 0.00 52.86 48.84 1sxm s ASN 4 Cb -0.00 -0.92 0.02 0.00 0.41 0.00 0.00 41.25 40.75 1sxm s ASN 4 CO 0.03 -0.14 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.70 1sxm s VAL 5 N -0.54 0.93 0.07 1.60 1.01 -1.26 -4.97 120.40 117.24 1sxm s VAL 5 Ca 0.29 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.65 1sxm s VAL 5 Cb 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 1sxm s VAL 5 CO -0.18 0.31 0.85 -0.54 0.00 0.00 0.00 175.10 175.54 1sxm s LYS 6 N 0.78 4.58 0.22 2.72 -0.14 -1.26 -1.41 119.74 125.23 1sxm s LYS 6 Ca -0.13 1.23 -0.03 0.00 -1.36 0.00 0.00 55.97 55.68 1sxm s LYS 6 Cb -0.15 -3.38 -0.03 0.00 -1.68 0.00 0.00 37.83 32.59 1sxm s LYS 6 CO 0.02 0.23 0.21 0.00 -0.76 0.00 0.00 175.35 175.06 1sxm n THR 8 N -0.31 0.00 -3.59 0.00 5.66 -1.26 -4.34 114.28 110.44 1sxm n THR 8 Ca 0.01 -0.11 -0.09 0.00 -3.05 0.00 0.00 64.05 60.82 1sxm n THR 8 Cb 0.65 0.34 -0.05 0.00 -1.55 0.00 0.00 70.33 69.72 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 -0.68 -0.32 0.31 1.09 1.04 -1.26 -5.04 113.70 108.84 1sxm s SER 9 Ca 0.04 0.34 0.26 0.00 0.48 0.00 0.00 55.95 57.06 1sxm s SER 9 Cb 0.04 0.26 1.02 0.00 0.10 0.00 0.00 66.02 67.44 1sxm s SER 9 CO -0.02 -0.29 1.77 -0.65 0.98 0.00 0.00 173.24 175.03 1sxm h PRO 10 N 2.47 0.00 -0.00 4.02 0.11 -1.89 -2.95 132.00 133.77 1sxm h PRO 10 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 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 0.30 0.00 -0.03 1.63 -0.21 0.00 0.00 178.00 179.68 1sxm n LYS 11 N -2.42 0.90 -0.26 1.05 4.76 -1.26 -2.15 118.16 118.78 1sxm n LYS 11 Ca 0.02 -0.20 0.11 0.00 -2.87 0.00 0.00 58.31 55.38 1sxm n LYS 11 Cb 0.28 -1.50 0.25 0.00 -1.84 0.00 0.00 35.03 32.22 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 -0.88 2.57 0.00 1.97 7.27 -1.11 -4.16 117.38 123.04 1sxm n GLN 12 Ca 0.19 -2.39 0.00 0.00 0.07 0.00 0.00 57.00 54.87 1sxm n GLN 12 Cb 0.21 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.36 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 -0.71 0.59 -0.04 0.00 7.64 -0.91 -2.94 113.62 117.24 1sxm n SER 14 Ca 0.00 -1.05 -0.02 0.00 1.01 0.00 0.00 58.87 58.81 1sxm n SER 14 Cb 0.00 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.88 -0.03 -0.31 1.43 1.57 -1.83 -3.17 116.57 115.12 1sxm h LYS 15 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1sxm h LYS 15 Cb 0.25 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1sxm h LYS 15 CO 0.00 0.11 -0.51 -1.00 -0.57 0.00 0.00 179.45 177.48 1sxm h PRO 16 N -1.00 0.87 -0.07 3.15 0.13 -1.87 -3.01 132.00 130.19 1sxm h PRO 16 Ca -0.00 -0.53 -0.11 0.00 -0.87 0.00 0.00 66.00 64.49 1sxm h PRO 16 Cb 0.15 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 1sxm h PRO 16 CO 0.01 1.17 -0.45 0.00 -0.23 0.00 0.00 178.00 178.49 1sxm n LYS 18 N -4.00 0.56 0.12 0.00 5.02 -1.20 -0.74 118.16 117.92 1sxm n LYS 18 Ca -0.02 -0.28 0.12 0.00 -2.02 0.00 0.00 58.31 56.11 1sxm n LYS 18 Cb 0.50 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 34.05 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 0.69 0.00 0.00 1.97 4.81 -1.34 -3.23 114.58 117.48 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 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1sxm h GLU 19 CO 0.00 0.00 -0.19 1.28 -0.73 0.00 0.00 179.01 179.37 1sxm n LEU 20 N -2.71 0.53 0.01 1.64 4.77 -0.67 -4.76 117.00 115.80 1sxm n LEU 20 Ca 0.01 0.27 0.11 0.00 -0.03 0.00 0.00 56.01 56.37 1sxm n LEU 20 Cb 0.54 -0.60 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1sxm n LEU 20 CO 0.39 -0.47 0.13 -1.22 -1.33 0.00 0.00 177.39 174.88 1sxm n TYR 21 N -2.98 0.07 0.00 -1.77 4.02 0.08 -5.03 117.16 111.55 1sxm n TYR 21 Ca -0.03 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1sxm n TYR 21 Cb 0.10 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.21 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 1.46 2.08 0.00 2.72 0.00 -1.22 -3.81 105.19 106.43 1sxm n GLY 22 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 3.23 0.00 -4.00 1.61 7.64 -1.26 -4.63 113.62 116.20 1sxm n SER 23 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1sxm n SER 23 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 5.74 -3.94 6.43 2.88 -1.25 -4.94 113.62 118.54 1sxm n SER 24 Ca 0.00 -3.33 -0.26 0.00 -1.33 0.00 0.00 58.87 53.95 1sxm n SER 24 Cb 0.00 -1.20 -0.17 0.00 -0.75 0.00 0.00 64.21 62.09 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 -2.36 1.35 -0.99 -1.46 0.00 -1.26 -3.74 121.76 113.29 1sxm s ALA 25 Ca 0.32 -0.54 -0.13 0.00 0.00 0.00 0.00 51.96 51.62 1sxm s ALA 25 Cb 0.02 -0.83 0.23 0.00 0.00 0.00 0.00 23.12 22.54 1sxm s ALA 25 CO 0.04 -0.28 1.00 0.20 0.00 0.00 0.00 175.76 176.72 1sxm s GLY 26 N 1.42 2.79 -0.35 0.00 0.00 -1.20 -4.54 107.32 105.45 1sxm s GLY 26 Ca -0.00 -3.48 -0.18 0.00 0.00 0.00 0.00 44.72 41.07 1sxm s GLY 26 CO -0.05 1.44 0.49 0.00 0.00 0.00 0.00 173.10 174.98 1sxm s ALA 27 N 0.00 3.48 0.02 3.20 0.00 -1.26 -2.03 121.76 125.18 1sxm s ALA 27 Ca 0.27 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 51.27 1sxm s ALA 27 Cb -0.09 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 1sxm s ALA 27 CO -0.08 -1.19 -0.22 0.15 0.00 0.00 0.00 175.76 174.42 1sxm s LYS 28 N 2.34 1.60 -0.21 0.00 1.02 -0.88 -4.83 119.74 118.79 1sxm s LYS 28 Ca 0.18 -0.91 0.01 0.00 0.02 0.00 0.00 55.97 55.27 1sxm s LYS 28 Cb -0.16 -1.66 0.04 0.00 -0.52 0.00 0.00 37.83 35.54 1sxm s LYS 28 CO 0.13 0.44 -0.11 0.00 -0.92 0.00 0.00 175.35 174.88 1sxm s MET 30 N 1.35 2.48 0.92 0.00 -1.94 -1.06 -4.86 119.30 116.18 1sxm s MET 30 Ca -0.02 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 53.32 1sxm s MET 30 Cb -0.16 -2.13 0.00 0.00 2.01 0.00 0.00 34.83 34.54 1sxm s MET 30 CO -0.08 -0.13 0.00 0.09 -0.01 0.00 0.00 175.02 174.89 1sxm n ASN 31 N 4.41 0.00 -2.68 3.03 4.13 -1.26 -2.44 115.26 120.45 1sxm n ASN 31 Ca -0.19 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.02 1sxm n ASN 31 Cb 0.51 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.81 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 -0.29 3.32 7.41 0.00 -1.26 -4.87 105.19 109.50 1sxm n GLY 32 Ca 0.00 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 0.11 0.85 -0.01 1.61 1.02 -1.02 -3.48 119.74 118.82 1sxm s LYS 33 Ca 0.15 -0.20 -0.00 0.00 0.02 0.00 0.00 55.97 55.93 1sxm s LYS 33 Cb 0.24 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.89 1sxm s LYS 33 CO -0.09 -0.27 0.07 0.00 -0.92 0.00 0.00 175.35 174.14 1sxm s LYS 35 N -1.67 1.60 -0.22 0.00 1.02 -0.47 -2.23 119.74 117.78 1sxm s LYS 35 Ca 0.22 -0.63 0.01 0.00 0.02 0.00 0.00 55.97 55.58 1sxm s LYS 35 Cb -0.12 -1.48 0.05 0.00 -0.52 0.00 0.00 37.83 35.76 1sxm s LYS 35 CO 0.13 0.33 -0.09 0.00 -0.92 0.00 0.00 175.35 174.80 1sxm n TYR 37 N 4.66 0.00 -4.12 0.00 4.01 -0.86 -2.76 117.16 118.08 1sxm n TYR 37 Ca -0.14 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.49 1sxm n TYR 37 Cb 0.45 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.38 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 0.43 1.02 0.00 7.72 0.01 -1.26 -3.24 114.94 119.62 1sxm s ASN 38 Ca 0.00 -0.81 0.29 0.00 -0.71 0.00 0.00 52.86 51.63 1sxm s ASN 38 Cb 0.00 0.07 1.22 0.00 0.41 0.00 0.00 41.25 42.94 1sxm s ASN 38 CO 0.00 -0.35 1.84 0.59 -1.51 0.00 0.00 177.10 177.67