#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 2.05 0.05 12.58 1.01 -1.26 -2.18 121.20 133.44 1sxm s ILE 2 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.71 1sxm s ILE 2 Cb 0.00 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.64 1sxm s ILE 2 CO 0.00 0.54 0.05 2.30 0.00 0.00 0.00 174.94 177.83 1sxm n ILE 3 N 4.39 0.00 -3.47 2.92 -5.35 -0.96 -4.97 119.36 111.92 1sxm n ILE 3 Ca -0.20 -0.16 -0.27 0.00 -0.27 0.00 0.00 62.75 61.85 1sxm n ILE 3 Cb 0.51 -0.78 -0.10 0.00 -1.74 0.00 0.00 39.64 37.52 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 -2.61 0.49 -3.99 7.28 6.94 -1.26 -4.29 115.26 117.82 1sxm n ASN 4 Ca 0.01 -2.63 -0.25 0.00 -0.02 0.00 0.00 54.58 51.69 1sxm n ASN 4 Cb 0.05 -0.61 -0.17 0.00 -2.36 0.00 0.00 39.78 36.69 1sxm n ASN 4 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1sxm s VAL 5 N -0.51 1.11 0.03 3.53 1.01 -1.26 -4.97 120.40 119.34 1sxm s VAL 5 Ca 0.32 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.60 1sxm s VAL 5 Cb 0.04 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1sxm s VAL 5 CO -0.18 0.36 0.81 -0.54 0.00 0.00 0.00 175.10 175.56 1sxm s LYS 6 N 0.95 4.52 0.23 2.72 -0.14 -1.26 -1.36 119.74 125.40 1sxm s LYS 6 Ca -0.09 1.14 -0.02 0.00 -1.36 0.00 0.00 55.97 55.64 1sxm s LYS 6 Cb -0.15 -3.39 -0.03 0.00 -1.68 0.00 0.00 37.83 32.58 1sxm s LYS 6 CO 0.00 0.19 0.22 0.00 -0.76 0.00 0.00 175.35 175.00 1sxm n THR 8 N -0.35 0.00 -3.59 0.00 5.66 -1.26 -4.36 114.28 110.37 1sxm n THR 8 Ca 0.02 -0.25 -0.09 0.00 -3.05 0.00 0.00 64.05 60.69 1sxm n THR 8 Cb 0.65 0.53 -0.05 0.00 -1.55 0.00 0.00 70.33 69.91 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 -1.07 -0.32 0.23 1.09 1.04 -1.26 -5.04 113.70 108.38 1sxm s SER 9 Ca 0.08 0.37 0.23 0.00 0.48 0.00 0.00 55.95 57.11 1sxm s SER 9 Cb 0.10 0.29 0.94 0.00 0.10 0.00 0.00 66.02 67.44 1sxm s SER 9 CO -0.04 -0.28 1.70 -2.65 0.98 0.00 0.00 173.24 172.96 1sxm n PRO 10 N 0.80 0.19 -0.14 4.02 -0.02 -1.26 -2.66 135.00 135.93 1sxm n PRO 10 Ca -0.09 0.38 0.05 0.00 -2.02 0.00 0.00 63.50 61.82 1sxm n PRO 10 Cb 0.58 -1.83 0.16 0.00 -0.02 0.00 0.00 33.50 32.38 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 -2.18 1.66 -0.35 -0.52 4.76 -1.26 -2.33 118.16 117.94 1sxm n LYS 11 Ca 0.03 -1.03 0.09 0.00 -2.87 0.00 0.00 58.31 54.53 1sxm n LYS 11 Cb 0.25 -1.24 0.23 0.00 -1.84 0.00 0.00 35.03 32.43 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 0.32 2.56 0.00 1.97 7.27 -1.09 -4.48 117.38 123.94 1sxm n GLN 12 Ca 0.10 -2.75 0.00 0.00 0.07 0.00 0.00 57.00 54.42 1sxm n GLN 12 Cb 0.25 -1.74 0.00 0.00 2.41 0.00 0.00 30.24 31.15 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 0.55 -0.06 0.00 7.64 -0.99 -3.02 113.62 117.73 1sxm n SER 14 Ca 0.00 -1.09 -0.05 0.00 1.01 0.00 0.00 58.87 58.73 1sxm n SER 14 Cb 0.00 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.15 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 0.84 0.00 -0.39 1.43 6.56 -1.86 -3.15 116.57 120.00 1sxm h LYS 15 Ca 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.43 1sxm h LYS 15 Cb 0.21 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.87 1sxm h LYS 15 CO 0.00 0.27 -0.39 -1.00 -2.06 0.00 0.00 179.45 176.27 1sxm h PRO 16 N -1.00 0.95 -0.05 3.15 0.13 -1.90 -3.00 132.00 130.27 1sxm h PRO 16 Ca -0.03 -0.50 -0.11 0.00 -0.87 0.00 0.00 66.00 64.48 1sxm h PRO 16 Cb 0.41 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1sxm h PRO 16 CO -0.02 1.16 -0.49 0.00 -0.23 0.00 0.00 178.00 178.42 1sxm n LYS 18 N -3.96 0.76 0.07 0.00 5.02 -1.19 -0.69 118.16 118.18 1sxm n LYS 18 Ca -0.02 -0.39 0.02 0.00 -2.02 0.00 0.00 58.31 55.91 1sxm n LYS 18 Cb 0.52 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 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 0.95 0.00 0.00 1.97 4.22 -1.34 -3.24 114.58 117.14 1sxm h GLU 19 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1sxm h GLU 19 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1sxm h GLU 19 CO 0.00 0.32 -0.32 -0.07 -2.18 0.00 0.00 179.01 176.75 1sxm h LEU 20 N 0.00 0.00 -0.17 1.64 3.38 -1.28 -3.43 115.31 115.46 1sxm h LEU 20 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1sxm h LEU 20 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1sxm h LEU 20 CO 0.05 0.49 -0.82 -1.22 0.09 0.00 0.00 178.44 177.03 1sxm n TYR 21 N -3.82 0.00 0.00 1.13 4.02 0.14 -5.04 117.16 113.59 1sxm n TYR 21 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 1sxm n TYR 21 Cb 0.17 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 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 1.48 2.03 0.00 2.72 0.00 -1.22 -3.75 105.19 106.46 1sxm n GLY 22 Ca 0.05 -0.63 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 3.48 0.00 -4.08 1.61 7.64 -1.26 -4.63 113.62 116.38 1sxm n SER 23 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 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 5.70 -3.94 6.43 2.88 -1.25 -4.94 113.62 118.50 1sxm n SER 24 Ca 0.00 -3.27 -0.25 0.00 -1.33 0.00 0.00 58.87 54.02 1sxm n SER 24 Cb 0.00 -1.23 -0.17 0.00 -0.75 0.00 0.00 64.21 62.06 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 -2.15 1.17 -0.95 -1.46 0.00 -1.26 -3.80 121.76 113.31 1sxm s ALA 25 Ca 0.31 -0.40 -0.12 0.00 0.00 0.00 0.00 51.96 51.76 1sxm s ALA 25 Cb -0.00 -0.69 0.24 0.00 0.00 0.00 0.00 23.12 22.67 1sxm s ALA 25 CO 0.01 -0.15 0.91 0.20 0.00 0.00 0.00 175.76 176.74 1sxm s GLY 26 N 1.18 2.91 -0.30 0.00 0.00 -1.20 -4.52 107.32 105.39 1sxm s GLY 26 Ca -0.05 -3.55 -0.17 0.00 0.00 0.00 0.00 44.72 40.95 1sxm s GLY 26 CO -0.02 1.29 0.47 0.00 0.00 0.00 0.00 173.10 174.84 1sxm s ALA 27 N -0.44 3.53 0.04 3.20 0.00 -1.26 -2.04 121.76 124.79 1sxm s ALA 27 Ca 0.23 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.41 1sxm s ALA 27 Cb -0.10 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 1sxm s ALA 27 CO -0.09 -0.93 -0.21 0.15 0.00 0.00 0.00 175.76 174.69 1sxm s LYS 28 N 2.26 1.43 -0.22 0.00 1.02 -0.95 -4.84 119.74 118.44 1sxm s LYS 28 Ca 0.18 -0.92 0.01 0.00 0.02 0.00 0.00 55.97 55.26 1sxm s LYS 28 Cb -0.16 -1.52 0.05 0.00 -0.52 0.00 0.00 37.83 35.68 1sxm s LYS 28 CO 0.11 0.39 -0.11 0.00 -0.92 0.00 0.00 175.35 174.82 1sxm s MET 30 N 1.31 2.10 1.18 0.00 -1.94 -1.09 -4.86 119.30 116.00 1sxm s MET 30 Ca -0.03 -0.52 0.00 0.00 -1.71 0.00 0.00 55.69 53.43 1sxm s MET 30 Cb -0.17 -1.79 0.00 0.00 2.01 0.00 0.00 34.83 34.87 1sxm s MET 30 CO -0.08 -0.06 0.00 -1.71 -0.01 0.00 0.00 175.02 173.17 1sxm n ASN 31 N 4.18 0.00 -2.67 3.03 2.85 -1.26 -2.50 115.26 118.88 1sxm n ASN 31 Ca -0.19 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.23 1sxm n ASN 31 Cb 0.51 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.59 1sxm n ASN 31 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sxm n GLY 32 N 0.00 -0.62 3.26 8.20 0.00 -1.26 -4.91 105.19 109.86 1sxm n GLY 32 Ca 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 0.08 0.77 -0.02 1.61 3.01 -1.04 -2.93 119.74 121.21 1sxm s LYS 33 Ca 0.13 -0.36 -0.01 0.00 -1.01 0.00 0.00 55.97 54.72 1sxm s LYS 33 Cb 0.21 0.34 -0.04 0.00 -1.01 0.00 0.00 37.83 37.33 1sxm s LYS 33 CO -0.09 -0.24 0.06 0.00 0.51 0.00 0.00 175.35 175.59 1sxm s LYS 35 N -1.53 1.54 -0.15 0.00 1.02 -0.55 -2.27 119.74 117.81 1sxm s LYS 35 Ca 0.20 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1sxm s LYS 35 Cb -0.12 -1.57 0.03 0.00 -0.52 0.00 0.00 37.83 35.65 1sxm s LYS 35 CO 0.11 0.42 -0.12 0.00 -0.92 0.00 0.00 175.35 174.84 1sxm n TYR 37 N 4.81 0.00 -4.15 0.00 4.01 -0.86 -3.67 117.16 117.29 1sxm n TYR 37 Ca -0.15 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.47 1sxm n TYR 37 Cb 0.49 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.42 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 1.00 1.17 0.00 7.72 -0.87 -1.26 -3.26 114.94 119.44 1sxm s ASN 38 Ca 0.00 -0.86 0.29 0.00 -1.57 0.00 0.00 52.86 50.71 1sxm s ASN 38 Cb 0.00 0.06 1.17 0.00 -0.02 0.00 0.00 41.25 42.45 1sxm s ASN 38 CO 0.00 -0.36 1.81 0.59 -2.57 0.00 0.00 177.10 176.57