#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 1.48 0.15 2.28 1.01 -1.26 -2.90 121.20 121.96 1sxm s ILE 2 Ca 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 59.99 1sxm s ILE 2 Cb 0.00 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 41.16 1sxm s ILE 2 CO 0.00 0.43 0.14 2.30 0.00 0.00 0.00 174.94 177.82 1sxm n ILE 3 N 3.78 0.00 -3.60 2.92 -5.35 -1.02 -4.95 119.36 111.15 1sxm n ILE 3 Ca -0.21 -0.56 -0.28 0.00 -0.27 0.00 0.00 62.75 61.43 1sxm n ILE 3 Cb 0.52 -0.54 -0.12 0.00 -1.74 0.00 0.00 39.64 37.77 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 -1.89 3.04 -0.06 7.28 -0.87 -1.26 -4.30 114.94 116.88 1sxm s ASN 4 Ca 0.11 -2.84 0.02 0.00 -1.57 0.00 0.00 52.86 48.58 1sxm s ASN 4 Cb -0.01 -0.82 0.02 0.00 -0.02 0.00 0.00 41.25 40.42 1sxm s ASN 4 CO 0.07 -0.22 -0.08 -0.69 -2.57 0.00 0.00 177.10 173.60 1sxm s VAL 5 N 0.16 0.85 0.14 1.60 1.01 -1.26 -4.97 120.40 117.93 1sxm s VAL 5 Ca 0.23 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1sxm s VAL 5 Cb -0.13 -0.81 -0.06 0.00 0.00 0.00 0.00 36.38 35.37 1sxm s VAL 5 CO -0.08 0.29 0.98 -0.54 0.00 0.00 0.00 175.10 175.76 1sxm s LYS 6 N 0.82 4.70 0.26 2.72 -0.14 -1.26 -1.48 119.74 125.36 1sxm s LYS 6 Ca -0.12 1.50 -0.03 0.00 -1.36 0.00 0.00 55.97 55.95 1sxm s LYS 6 Cb -0.15 -3.35 -0.02 0.00 -1.68 0.00 0.00 37.83 32.63 1sxm s LYS 6 CO 0.02 0.22 0.31 0.00 -0.76 0.00 0.00 175.35 175.14 1sxm n THR 8 N -0.41 0.00 -3.60 0.00 5.66 -1.26 -4.31 114.28 110.36 1sxm n THR 8 Ca 0.02 -0.18 -0.08 0.00 -3.05 0.00 0.00 64.05 60.75 1sxm n THR 8 Cb 0.63 0.49 -0.05 0.00 -1.55 0.00 0.00 70.33 69.85 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 -0.98 -0.29 0.41 1.09 1.04 -1.26 -5.04 113.70 108.67 1sxm s SER 9 Ca 0.06 0.36 0.29 0.00 0.48 0.00 0.00 55.95 57.14 1sxm s SER 9 Cb 0.07 0.29 1.15 0.00 0.10 0.00 0.00 66.02 67.64 1sxm s SER 9 CO -0.03 -0.24 1.85 -0.65 0.98 0.00 0.00 173.24 175.15 1sxm h PRO 10 N 2.64 0.00 0.00 4.02 0.11 -1.88 -2.98 132.00 133.91 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 0.26 0.00 0.00 1.17 -0.21 0.00 0.00 178.00 179.22 1sxm n LYS 11 N -2.69 0.12 0.00 1.05 3.00 -1.26 -2.06 118.16 116.32 1sxm n LYS 11 Ca 0.02 0.01 0.13 0.00 -0.00 0.00 0.00 58.31 58.46 1sxm n LYS 11 Cb 0.28 -1.50 0.31 0.00 0.00 0.00 0.00 35.03 34.12 1sxm n LYS 11 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1sxm n GLN 12 N -1.44 1.57 -0.00 1.64 7.27 -1.12 -3.91 117.38 121.39 1sxm n GLN 12 Ca 0.09 -1.10 0.01 0.00 0.07 0.00 0.00 57.00 56.07 1sxm n GLN 12 Cb 0.31 -1.48 -0.01 0.00 2.41 0.00 0.00 30.24 31.47 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 -1.19 0.45 -0.06 0.00 7.64 -0.87 -2.90 113.62 116.69 1sxm n SER 14 Ca 0.00 -0.90 -0.05 0.00 1.01 0.00 0.00 58.87 58.93 1sxm n SER 14 Cb 0.03 -0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.66 0.00 -0.33 1.43 6.56 -1.79 -3.16 116.57 119.93 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 0.24 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.89 1sxm h LYS 15 CO 0.00 0.30 -0.40 -1.00 -2.06 0.00 0.00 179.45 176.29 1sxm h PRO 16 N -1.00 0.85 -0.08 3.15 0.13 -1.85 -3.01 132.00 130.20 1sxm h PRO 16 Ca -0.01 -0.48 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 1sxm h PRO 16 Cb 0.35 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 1sxm h PRO 16 CO -0.01 1.12 -0.43 0.00 -0.23 0.00 0.00 178.00 178.45 1sxm n LYS 18 N -4.01 0.61 0.12 0.00 5.02 -1.20 -0.71 118.16 118.00 1sxm n LYS 18 Ca -0.02 -0.31 0.11 0.00 -2.02 0.00 0.00 58.31 56.07 1sxm n LYS 18 Cb 0.49 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 34.02 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 0.76 0.00 0.00 1.97 4.81 -1.34 -3.24 114.58 117.54 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 0.02 -0.19 1.28 -0.73 0.00 0.00 179.01 179.39 1sxm n LEU 20 N -2.75 0.54 0.00 1.64 4.77 -0.67 -4.76 117.00 115.77 1sxm n LEU 20 Ca 0.00 0.28 0.11 0.00 -0.03 0.00 0.00 56.01 56.37 1sxm n LEU 20 Cb 0.56 -0.60 0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1sxm n LEU 20 CO 0.39 -0.48 0.17 -1.22 -1.33 0.00 0.00 177.39 174.93 1sxm n TYR 21 N -2.98 0.00 0.00 -1.77 4.02 0.11 -5.03 117.16 111.51 1sxm n TYR 21 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1sxm n TYR 21 Cb 0.10 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 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 1.50 2.02 0.00 2.72 0.00 -1.22 -3.67 105.19 106.53 1sxm n GLY 22 Ca 0.05 -0.62 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 3.68 0.00 -3.88 1.61 7.64 -1.26 -4.62 113.62 116.78 1sxm n SER 23 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 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 5.84 -4.04 6.43 2.88 -1.24 -4.95 113.62 118.54 1sxm n SER 24 Ca 0.00 -3.42 -0.27 0.00 -1.33 0.00 0.00 58.87 53.85 1sxm n SER 24 Cb 0.00 -1.14 -0.17 0.00 -0.75 0.00 0.00 64.21 62.15 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 -2.72 1.55 -0.89 -1.46 0.00 -1.16 -3.80 121.76 113.28 1sxm s ALA 25 Ca 0.33 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 1sxm s ALA 25 Cb 0.07 -0.77 0.23 0.00 0.00 0.00 0.00 23.12 22.65 1sxm s ALA 25 CO 0.08 -0.05 0.83 0.20 0.00 0.00 0.00 175.76 176.82 1sxm s GLY 26 N 0.95 2.84 -0.35 0.00 0.00 -1.14 -4.21 107.32 105.41 1sxm s GLY 26 Ca -0.08 -3.51 -0.18 0.00 0.00 0.00 0.00 44.72 40.95 1sxm s GLY 26 CO -0.00 1.26 0.49 0.00 0.00 0.00 0.00 173.10 174.84 1sxm s ALA 27 N -0.39 3.48 0.06 3.20 0.00 -1.26 -1.76 121.76 125.08 1sxm s ALA 27 Ca 0.22 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 51.20 1sxm s ALA 27 Cb -0.11 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1sxm s ALA 27 CO -0.08 -1.22 -0.25 0.15 0.00 0.00 0.00 175.76 174.36 1sxm s LYS 28 N 2.32 1.61 -0.20 0.00 -0.14 -0.96 -4.82 119.74 117.56 1sxm s LYS 28 Ca 0.17 -1.11 -0.00 0.00 -1.36 0.00 0.00 55.97 53.67 1sxm s LYS 28 Cb -0.16 -1.83 0.05 0.00 -1.68 0.00 0.00 37.83 34.22 1sxm s LYS 28 CO 0.13 0.46 -0.04 0.00 -0.76 0.00 0.00 175.35 175.14 1sxm s MET 30 N 1.54 1.18 0.00 0.00 -1.94 -1.14 -4.84 119.30 114.10 1sxm s MET 30 Ca -0.03 -0.25 0.00 0.00 -1.71 0.00 0.00 55.69 53.70 1sxm s MET 30 Cb -0.17 -1.06 0.00 0.00 2.01 0.00 0.00 34.83 35.61 1sxm s MET 30 CO -0.07 -0.01 0.00 0.09 -0.01 0.00 0.00 175.02 175.02 1sxm n ASN 31 N 3.83 0.00 -0.13 3.03 3.02 -1.26 -2.51 115.26 121.23 1sxm n ASN 31 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1sxm n ASN 31 Cb 0.52 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1sxm n ASN 31 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxm n GLY 32 N -1.99 0.93 3.21 7.41 0.00 -1.26 -5.02 105.19 108.48 1sxm n GLY 32 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.08 0.67 -0.09 1.61 3.01 -1.04 -2.97 119.74 119.84 1sxm s LYS 33 Ca 0.00 -0.33 -0.03 0.00 -1.01 0.00 0.00 55.97 54.60 1sxm s LYS 33 Cb 0.00 0.29 -0.04 0.00 -1.01 0.00 0.00 37.83 37.07 1sxm s LYS 33 CO 0.00 -0.19 0.04 0.00 0.51 0.00 0.00 175.35 175.71 1sxm s LYS 35 N -0.94 1.89 -0.20 0.00 1.02 -0.71 -2.42 119.74 118.38 1sxm s LYS 35 Ca 0.14 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 55.26 1sxm s LYS 35 Cb -0.12 -1.85 0.05 0.00 -0.52 0.00 0.00 37.83 35.39 1sxm s LYS 35 CO 0.03 0.51 -0.08 0.00 -0.92 0.00 0.00 175.35 174.89 1sxm n TYR 37 N 4.72 0.00 -3.71 0.00 4.01 -0.72 -4.60 117.16 116.85 1sxm n TYR 37 Ca -0.13 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.32 1sxm n TYR 37 Cb 0.46 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.33 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 0.29 3.60 0.00 7.72 0.01 -1.26 -2.88 114.94 122.41 1sxm s ASN 38 Ca 0.00 -1.31 0.00 0.00 -0.71 0.00 0.00 52.86 50.84 1sxm s ASN 38 Cb 0.00 -0.71 0.00 0.00 0.41 0.00 0.00 41.25 40.95 1sxm s ASN 38 CO 0.00 -0.38 0.00 0.59 -1.51 0.00 0.00 177.10 175.80