#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 1.51 0.28 2.28 1.01 -1.26 -2.99 121.20 122.03 1sxm s ILE 2 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1sxm s ILE 2 Cb 0.00 -1.35 0.03 0.00 0.01 0.00 0.00 42.46 41.15 1sxm s ILE 2 CO 0.00 0.44 0.25 2.30 0.00 0.00 0.00 174.94 177.93 1sxm n ILE 3 N 3.82 0.00 -3.60 2.92 -5.35 -1.07 -4.95 119.36 111.13 1sxm n ILE 3 Ca -0.21 -1.07 -0.27 0.00 -0.27 0.00 0.00 62.75 60.93 1sxm n ILE 3 Cb 0.52 -0.37 -0.11 0.00 -1.74 0.00 0.00 39.64 37.94 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 -2.66 2.84 -0.08 7.28 0.01 -1.26 -4.31 114.94 116.75 1sxm s ASN 4 Ca 0.19 -3.40 0.01 0.00 -0.71 0.00 0.00 52.86 48.95 1sxm s ASN 4 Cb -0.02 -0.94 0.02 0.00 0.41 0.00 0.00 41.25 40.73 1sxm s ASN 4 CO 0.12 -0.13 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.78 1sxm s VAL 5 N -0.58 1.08 0.10 1.60 1.01 -1.26 -4.98 120.40 117.37 1sxm s VAL 5 Ca 0.30 -0.40 -0.24 0.00 0.00 0.00 0.00 61.98 61.64 1sxm s VAL 5 Cb 0.01 -1.03 -0.07 0.00 0.00 0.00 0.00 36.38 35.29 1sxm s VAL 5 CO -0.19 0.36 0.71 -0.54 0.00 0.00 0.00 175.10 175.44 1sxm s LYS 6 N 1.04 4.45 0.24 2.72 3.01 -1.26 -1.38 119.74 128.56 1sxm s LYS 6 Ca -0.08 1.01 -0.07 0.00 -1.01 0.00 0.00 55.97 55.83 1sxm s LYS 6 Cb -0.15 -3.29 -0.02 0.00 -1.01 0.00 0.00 37.83 33.37 1sxm s LYS 6 CO -0.01 0.50 0.34 0.00 0.51 0.00 0.00 175.35 176.69 1sxm n THR 8 N -0.36 0.00 -3.59 0.00 5.66 -1.26 -4.36 114.28 110.37 1sxm n THR 8 Ca 0.00 -0.07 -0.09 0.00 -3.05 0.00 0.00 64.05 60.84 1sxm n THR 8 Cb 0.63 0.30 -0.05 0.00 -1.55 0.00 0.00 70.33 69.66 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 -0.59 -0.33 0.40 1.09 1.04 -1.26 -5.04 113.70 109.02 1sxm s SER 9 Ca 0.02 0.36 0.28 0.00 0.48 0.00 0.00 55.95 57.10 1sxm s SER 9 Cb 0.03 0.27 1.13 0.00 0.10 0.00 0.00 66.02 67.55 1sxm s SER 9 CO -0.01 -0.30 1.84 -0.65 0.98 0.00 0.00 173.24 175.10 1sxm h PRO 10 N 2.50 0.00 0.00 4.02 0.11 -1.87 -3.07 132.00 133.69 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 0.00 1.63 -0.21 0.00 0.00 178.00 179.72 1sxm n LYS 11 N -2.67 0.05 0.01 1.05 4.76 -1.26 -1.92 118.16 118.17 1sxm n LYS 11 Ca 0.02 0.04 0.12 0.00 -2.87 0.00 0.00 58.31 55.62 1sxm n LYS 11 Cb 0.29 -1.56 0.27 0.00 -1.84 0.00 0.00 35.03 32.19 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 -1.64 0.04 -0.00 1.97 -0.06 -1.16 -3.79 117.38 112.74 1sxm n GLN 12 Ca 0.07 0.01 0.06 0.00 -2.00 0.00 0.00 57.00 55.14 1sxm n GLN 12 Cb 0.35 -1.52 -0.08 0.00 -4.06 0.00 0.00 30.24 24.93 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 -1.58 0.57 -0.03 0.00 7.64 -0.81 -2.71 113.62 116.70 1sxm n SER 14 Ca 0.00 -1.10 -0.01 0.00 1.01 0.00 0.00 58.87 58.77 1sxm n SER 14 Cb 0.25 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.42 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 0.87 -0.05 -0.28 1.43 1.57 -1.75 -3.17 116.57 115.19 1sxm h LYS 15 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1sxm h LYS 15 Cb 0.22 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1sxm h LYS 15 CO 0.00 -0.00 -0.31 -1.00 -0.57 0.00 0.00 179.45 177.57 1sxm h PRO 16 N -1.01 0.70 -0.12 3.15 0.13 -1.81 -3.10 132.00 129.94 1sxm h PRO 16 Ca -0.01 -0.38 -0.10 0.00 -0.87 0.00 0.00 66.00 64.64 1sxm h PRO 16 Cb 0.08 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 1sxm h PRO 16 CO 0.01 1.00 -0.38 0.00 -0.23 0.00 0.00 178.00 178.40 1sxm n LYS 18 N -4.05 0.40 0.10 0.00 5.02 -1.20 -0.79 118.16 117.63 1sxm n LYS 18 Ca -0.01 -0.20 0.07 0.00 -2.02 0.00 0.00 58.31 56.14 1sxm n LYS 18 Cb 0.46 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.96 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 0.49 0.00 0.00 1.97 4.81 -1.39 -3.23 114.58 117.23 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 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1sxm h GLU 19 CO 0.00 0.16 -0.20 1.28 -0.73 0.00 0.00 179.01 179.52 1sxm n LEU 20 N -2.86 0.61 0.07 1.64 4.77 -0.46 -4.73 117.00 116.04 1sxm n LEU 20 Ca -0.03 0.33 0.11 0.00 -0.03 0.00 0.00 56.01 56.39 1sxm n LEU 20 Cb 0.67 -0.62 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1sxm n LEU 20 CO 0.40 -0.48 -0.06 -1.22 -1.33 0.00 0.00 177.39 174.70 1sxm n TYR 21 N -3.06 0.68 0.00 -1.77 4.02 0.03 -5.02 117.16 112.04 1sxm n TYR 21 Ca -0.03 0.20 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 1sxm n TYR 21 Cb 0.10 -0.78 0.00 0.00 -0.02 0.00 0.00 39.34 38.64 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 1.24 1.91 0.00 2.72 0.00 -1.21 -3.59 105.19 106.25 1sxm n GLY 22 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 4.00 0.00 -3.33 1.61 7.64 -1.26 -4.64 113.62 117.64 1sxm n SER 23 Ca 0.00 -0.05 -0.33 0.00 1.01 0.00 0.00 58.87 59.50 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 5.59 -4.17 6.43 2.88 -1.24 -4.97 113.62 118.14 1sxm n SER 24 Ca 0.00 -3.64 -0.33 0.00 -1.33 0.00 0.00 58.87 53.57 1sxm n SER 24 Cb 0.01 -0.85 -0.16 0.00 -0.75 0.00 0.00 64.21 62.46 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 -3.61 2.28 -0.86 -1.46 0.00 -1.15 -3.43 121.76 113.52 1sxm s ALA 25 Ca 0.43 -1.12 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 1sxm s ALA 25 Cb 0.21 -1.04 0.22 0.00 0.00 0.00 0.00 23.12 22.51 1sxm s ALA 25 CO -0.10 -0.09 0.78 0.20 0.00 0.00 0.00 175.76 176.55 1sxm s GLY 26 N 0.90 2.85 -0.40 0.00 0.00 -0.99 -4.49 107.32 105.20 1sxm s GLY 26 Ca -0.05 -3.55 -0.18 0.00 0.00 0.00 0.00 44.72 40.95 1sxm s GLY 26 CO -0.04 1.23 0.50 0.00 0.00 0.00 0.00 173.10 174.78 1sxm s ALA 27 N -0.55 3.43 0.07 3.20 0.00 -1.26 -2.03 121.76 124.62 1sxm s ALA 27 Ca 0.23 -1.28 0.10 0.00 0.00 0.00 0.00 51.96 51.01 1sxm s ALA 27 Cb -0.12 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 1sxm s ALA 27 CO -0.08 -1.47 -0.26 0.15 0.00 0.00 0.00 175.76 174.09 1sxm s LYS 28 N 2.35 1.70 -0.16 0.00 -0.14 -0.91 -4.81 119.74 117.75 1sxm s LYS 28 Ca 0.16 -1.18 -0.01 0.00 -1.36 0.00 0.00 55.97 53.59 1sxm s LYS 28 Cb -0.16 -1.97 0.04 0.00 -1.68 0.00 0.00 37.83 34.06 1sxm s LYS 28 CO 0.15 0.49 -0.04 0.00 -0.76 0.00 0.00 175.35 175.19 1sxm s MET 30 N 1.67 1.99 0.73 0.00 -1.94 -1.13 -4.82 119.30 115.80 1sxm s MET 30 Ca 0.01 -0.49 0.00 0.00 -1.71 0.00 0.00 55.69 53.50 1sxm s MET 30 Cb -0.15 -1.68 0.00 0.00 2.01 0.00 0.00 34.83 35.00 1sxm s MET 30 CO -0.07 -0.03 0.00 -1.71 -0.01 0.00 0.00 175.02 173.19 1sxm n ASN 31 N 4.08 0.00 -2.67 3.03 2.85 -1.26 -2.58 115.26 118.70 1sxm n ASN 31 Ca -0.20 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 0.08 0.00 1.24 0.00 0.00 39.78 41.61 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 -1.04 3.34 8.20 0.00 -1.26 -4.88 105.19 109.55 1sxm n GLY 32 Ca 0.00 0.52 -0.14 0.00 0.00 0.00 0.00 46.02 46.40 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 0.06 0.87 -0.04 1.61 1.02 -1.07 -3.52 119.74 118.67 1sxm s LYS 33 Ca 0.16 -0.16 -0.01 0.00 0.02 0.00 0.00 55.97 55.98 1sxm s LYS 33 Cb 0.23 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.90 1sxm s LYS 33 CO -0.13 -0.28 0.03 0.00 -0.92 0.00 0.00 175.35 174.05 1sxm s LYS 35 N -1.30 1.74 -0.25 0.00 1.02 -0.64 -2.58 119.74 117.73 1sxm s LYS 35 Ca 0.18 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 55.50 1sxm s LYS 35 Cb -0.12 -1.59 0.06 0.00 -0.52 0.00 0.00 37.83 35.66 1sxm s LYS 35 CO 0.08 0.36 -0.10 0.00 -0.92 0.00 0.00 175.35 174.76 1sxm n TYR 37 N 4.50 -1.49 -3.88 0.00 4.01 -0.86 -4.60 117.16 114.84 1sxm n TYR 37 Ca -0.14 -0.89 -0.31 0.00 -0.16 0.00 0.00 57.90 56.40 1sxm n TYR 37 Cb 0.43 -0.18 -0.12 0.00 -0.31 0.00 0.00 39.34 39.15 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 -2.29 4.73 0.00 7.72 -0.87 -1.26 -2.36 114.94 120.62 1sxm s ASN 38 Ca 0.15 -3.33 0.00 0.00 -1.57 0.00 0.00 52.86 48.11 1sxm s ASN 38 Cb -0.01 -1.69 0.00 0.00 -0.02 0.00 0.00 41.25 39.53 1sxm s ASN 38 CO 0.09 -0.20 0.14 0.59 -2.57 0.00 0.00 177.10 175.15