#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 0.99 0.09 2.28 1.01 -1.26 -2.01 121.20 122.30 1sxm s ILE 2 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1sxm s ILE 2 Cb 0.00 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.52 1sxm s ILE 2 CO 0.00 0.34 0.06 2.30 0.00 0.00 0.00 174.94 177.64 1sxm n ILE 3 N 4.26 0.00 -3.62 2.92 -5.35 -0.98 -4.89 119.36 111.70 1sxm n ILE 3 Ca -0.19 -0.38 -0.28 0.00 -0.27 0.00 0.00 62.75 61.63 1sxm n ILE 3 Cb 0.51 -0.34 -0.11 0.00 -1.74 0.00 0.00 39.64 37.96 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 -1.54 3.00 -0.05 7.28 -0.87 -1.26 -4.35 114.94 117.16 1sxm s ASN 4 Ca 0.04 -3.24 0.01 0.00 -1.57 0.00 0.00 52.86 48.11 1sxm s ASN 4 Cb -0.00 -0.94 0.02 0.00 -0.02 0.00 0.00 41.25 40.30 1sxm s ASN 4 CO 0.03 -0.16 -0.07 -0.69 -2.57 0.00 0.00 177.10 173.64 1sxm s VAL 5 N -0.38 0.69 0.10 1.60 1.01 -1.26 -4.98 120.40 117.18 1sxm s VAL 5 Ca 0.27 -0.22 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 1sxm s VAL 5 Cb -0.04 -0.68 -0.06 0.00 0.00 0.00 0.00 36.38 35.59 1sxm s VAL 5 CO -0.15 0.26 0.89 -0.54 0.00 0.00 0.00 175.10 175.56 1sxm s LYS 6 N 0.82 4.64 0.24 2.72 -0.14 -1.26 -1.33 119.74 125.42 1sxm s LYS 6 Ca -0.13 1.32 -0.03 0.00 -1.36 0.00 0.00 55.97 55.77 1sxm s LYS 6 Cb -0.15 -3.36 -0.03 0.00 -1.68 0.00 0.00 37.83 32.61 1sxm s LYS 6 CO 0.01 0.26 0.27 0.00 -0.76 0.00 0.00 175.35 175.13 1sxm n THR 8 N -0.36 0.00 -3.59 0.00 5.66 -1.26 -4.36 114.28 110.36 1sxm n THR 8 Ca 0.02 -0.23 -0.09 0.00 -3.05 0.00 0.00 64.05 60.70 1sxm n THR 8 Cb 0.64 0.52 -0.05 0.00 -1.55 0.00 0.00 70.33 69.89 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 -1.04 -0.31 0.17 1.09 1.04 -1.26 -5.03 113.70 108.35 1sxm s SER 9 Ca 0.08 0.36 0.22 0.00 0.48 0.00 0.00 55.95 57.09 1sxm s SER 9 Cb 0.09 0.29 0.88 0.00 0.10 0.00 0.00 66.02 67.37 1sxm s SER 9 CO -0.04 -0.27 1.66 -2.65 0.98 0.00 0.00 173.24 172.93 1sxm n PRO 10 N 0.81 0.14 0.09 4.02 -0.02 -1.26 -2.86 135.00 135.91 1sxm n PRO 10 Ca -0.09 0.33 0.13 0.00 -2.02 0.00 0.00 63.50 61.85 1sxm n PRO 10 Cb 0.58 -1.74 0.45 0.00 -0.02 0.00 0.00 33.50 32.77 1sxm n PRO 10 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1sxm n LYS 11 N -1.99 0.19 -0.02 -0.52 4.01 -1.26 -2.17 118.16 116.39 1sxm n LYS 11 Ca 0.03 0.23 0.12 0.00 -0.51 0.00 0.00 58.31 58.19 1sxm n LYS 11 Cb 0.24 -1.76 0.19 0.00 -0.51 0.00 0.00 35.03 33.19 1sxm n LYS 11 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1sxm n GLN 12 N -2.09 2.23 0.00 1.97 7.27 -1.13 -4.18 117.38 121.45 1sxm n GLN 12 Ca 0.05 -1.80 0.00 0.00 0.07 0.00 0.00 57.00 55.32 1sxm n GLN 12 Cb 0.35 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.54 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 -1.20 1.11 -0.06 0.00 3.41 -0.92 -2.81 113.62 113.15 1sxm n SER 14 Ca 0.00 -1.45 -0.06 0.00 -0.26 0.00 0.00 58.87 57.10 1sxm n SER 14 Cb 0.00 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.64 0.00 -0.17 4.33 1.79 -1.81 -3.17 116.57 119.18 1sxm h LYS 15 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1sxm h LYS 15 Cb 0.35 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1sxm h LYS 15 CO 0.00 0.32 -0.04 -1.00 -1.08 0.00 0.00 179.45 177.65 1sxm h PRO 16 N -1.00 0.33 -0.64 3.15 0.13 -1.84 -3.08 132.00 129.05 1sxm h PRO 16 Ca -0.02 -0.13 -0.04 0.00 -0.87 0.00 0.00 66.00 64.94 1sxm h PRO 16 Cb 0.40 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.48 1sxm h PRO 16 CO -0.01 0.60 0.25 0.00 -0.23 0.00 0.00 178.00 178.60 1sxm n LYS 18 N -4.30 1.04 0.04 0.00 5.02 -1.20 -0.98 118.16 117.78 1sxm n LYS 18 Ca 0.06 -0.53 -0.00 0.00 -2.02 0.00 0.00 58.31 55.82 1sxm n LYS 18 Cb 0.18 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.29 0.00 0.00 1.97 4.57 -1.34 -3.40 114.58 117.67 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 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1sxm h GLU 19 CO 0.00 0.32 -0.59 1.28 -1.18 0.00 0.00 179.01 178.84 1sxm n LEU 20 N -2.93 1.52 -0.02 1.64 4.77 -0.46 -4.83 117.00 116.69 1sxm n LEU 20 Ca -0.09 0.43 -0.13 0.00 -0.03 0.00 0.00 56.01 56.20 1sxm n LEU 20 Cb 0.84 -0.76 -0.14 0.00 -2.33 0.00 0.00 43.42 41.03 1sxm n LEU 20 CO 0.43 -0.41 -0.70 -1.22 -1.33 0.00 0.00 177.39 174.16 1sxm n TYR 21 N -4.14 0.96 0.00 -1.77 4.02 -0.15 -5.06 117.16 111.02 1sxm n TYR 21 Ca -0.08 0.29 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 1sxm n TYR 21 Cb 0.31 -1.16 0.00 0.00 -0.02 0.00 0.00 39.34 38.47 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 1.74 -0.63 0.00 2.72 0.00 -1.25 -4.94 105.19 102.82 1sxm n GLY 22 Ca -0.24 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.46 1.61 7.64 -1.26 -4.48 113.62 113.67 1sxm n SER 23 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1sxm n SER 23 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 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 1.97 -4.89 6.43 2.88 -1.26 -4.98 113.62 113.77 1sxm n SER 24 Ca 0.00 -3.02 -0.28 0.00 -1.33 0.00 0.00 58.87 54.24 1sxm n SER 24 Cb 0.00 -0.66 -0.04 0.00 -0.75 0.00 0.00 64.21 62.76 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 -1.50 3.84 -0.94 -1.46 0.00 -1.26 -3.76 121.76 116.68 1sxm s ALA 25 Ca 0.34 -1.03 -0.14 0.00 0.00 0.00 0.00 51.96 51.13 1sxm s ALA 25 Cb 0.09 -1.66 0.20 0.00 0.00 0.00 0.00 23.12 21.76 1sxm s ALA 25 CO -0.10 0.61 0.98 0.20 0.00 0.00 0.00 175.76 177.45 1sxm s GLY 26 N -2.96 2.57 -0.33 0.00 0.00 -1.05 -4.53 107.32 101.01 1sxm s GLY 26 Ca 0.33 -3.29 -0.15 0.00 0.00 0.00 0.00 44.72 41.61 1sxm s GLY 26 CO 0.27 1.52 0.37 0.00 0.00 0.00 0.00 173.10 175.26 1sxm s ALA 27 N 0.63 3.50 -0.01 3.20 0.00 -1.26 -1.65 121.76 126.17 1sxm s ALA 27 Ca 0.26 -1.15 0.06 0.00 0.00 0.00 0.00 51.96 51.13 1sxm s ALA 27 Cb -0.08 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 1sxm s ALA 27 CO -0.08 -1.03 -0.20 0.15 0.00 0.00 0.00 175.76 174.60 1sxm s LYS 28 N 2.05 1.56 -0.21 0.00 1.02 -0.92 -4.83 119.74 118.41 1sxm s LYS 28 Ca 0.13 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.40 1sxm s LYS 28 Cb -0.16 -1.53 0.04 0.00 -0.52 0.00 0.00 37.83 35.66 1sxm s LYS 28 CO 0.12 0.42 -0.14 0.00 -0.92 0.00 0.00 175.35 174.83 1sxm s MET 30 N 1.25 2.25 0.89 0.00 -1.94 -1.04 -4.86 119.30 115.86 1sxm s MET 30 Ca -0.02 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.39 1sxm s MET 30 Cb -0.17 -1.95 0.00 0.00 2.01 0.00 0.00 34.83 34.72 1sxm s MET 30 CO -0.09 -0.10 0.00 0.09 -0.01 0.00 0.00 175.02 174.91 1sxm n ASN 31 N 4.33 0.00 -2.68 3.03 4.13 -1.26 -2.41 115.26 120.40 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 0.51 0.00 0.06 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 -0.40 3.35 7.41 0.00 -1.26 -4.89 105.19 109.40 1sxm n GLY 32 Ca 0.00 0.23 -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 0.10 0.88 0.01 1.61 1.02 -1.01 -3.42 119.74 118.92 1sxm s LYS 33 Ca 0.14 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.01 1sxm s LYS 33 Cb 0.22 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.89 1sxm s LYS 33 CO -0.09 -0.28 0.07 0.00 -0.92 0.00 0.00 175.35 174.13 1sxm s LYS 35 N -1.80 1.58 -0.18 0.00 1.02 -0.45 -2.31 119.74 117.60 1sxm s LYS 35 Ca 0.23 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1sxm s LYS 35 Cb -0.12 -1.48 0.04 0.00 -0.52 0.00 0.00 37.83 35.75 1sxm s LYS 35 CO 0.14 0.36 -0.10 0.00 -0.92 0.00 0.00 175.35 174.84 1sxm n TYR 37 N 4.75 -0.46 -3.65 0.00 4.01 -0.66 -2.89 117.16 118.27 1sxm n TYR 37 Ca -0.15 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.32 1sxm n TYR 37 Cb 0.48 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.40 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 -1.10 1.95 -0.10 7.72 4.13 -1.26 -2.54 115.26 124.06 1sxm n ASN 38 Ca 0.00 -2.97 0.01 0.00 1.68 0.00 0.00 54.58 53.30 1sxm n ASN 38 Cb 0.00 -0.68 0.01 0.00 -1.54 0.00 0.00 39.78 37.57 1sxm n ASN 38 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13