#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 2.02 0.07 12.58 1.01 -1.26 -2.16 121.20 133.46 1sxm s ILE 2 Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.74 1sxm s ILE 2 Cb 0.00 -1.82 0.01 0.00 0.01 0.00 0.00 42.46 40.66 1sxm s ILE 2 CO 0.00 0.54 0.08 2.30 0.00 0.00 0.00 174.94 177.86 1sxm n ILE 3 N 4.52 0.00 -3.60 2.92 -5.35 -1.04 -4.96 119.36 111.85 1sxm n ILE 3 Ca -0.21 -0.24 -0.29 0.00 -0.27 0.00 0.00 62.75 61.74 1sxm n ILE 3 Cb 0.50 -0.78 -0.13 0.00 -1.74 0.00 0.00 39.64 37.49 1sxm n ILE 3 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1sxm s ASN 4 N -1.41 3.39 -0.07 7.28 2.47 -1.26 -4.25 114.94 121.09 1sxm s ASN 4 Ca 0.06 -2.25 -0.00 0.00 0.42 0.00 0.00 52.86 51.09 1sxm s ASN 4 Cb -0.00 -0.70 0.02 0.00 -1.45 0.00 0.00 41.25 39.12 1sxm s ASN 4 CO 0.04 -0.31 -0.04 -0.69 -3.72 0.00 0.00 177.10 172.38 1sxm s VAL 5 N 0.91 0.61 0.12 -5.21 1.01 -1.26 -4.96 120.40 111.62 1sxm s VAL 5 Ca 0.16 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1sxm s VAL 5 Cb -0.23 -0.68 -0.06 0.00 0.00 0.00 0.00 36.38 35.42 1sxm s VAL 5 CO -0.04 0.27 0.98 -0.54 0.00 0.00 0.00 175.10 175.78 1sxm s LYS 6 N 1.43 4.68 0.28 2.72 -0.14 -1.26 -2.16 119.74 125.28 1sxm s LYS 6 Ca -0.03 1.49 0.03 0.00 -1.36 0.00 0.00 55.97 56.11 1sxm s LYS 6 Cb -0.13 -3.36 -0.01 0.00 -1.68 0.00 0.00 37.83 32.64 1sxm s LYS 6 CO -0.03 0.18 0.29 0.00 -0.76 0.00 0.00 175.35 175.04 1sxm n THR 8 N -0.50 0.00 -3.60 0.00 5.66 -1.26 -4.56 114.28 110.02 1sxm n THR 8 Ca 0.04 -0.09 -0.06 0.00 -3.05 0.00 0.00 64.05 60.89 1sxm n THR 8 Cb 0.49 0.30 -0.04 0.00 -1.55 0.00 0.00 70.33 69.53 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 -0.61 -0.21 0.44 1.09 1.04 -1.26 -5.03 113.70 109.16 1sxm s SER 9 Ca 0.03 0.19 0.30 0.00 0.48 0.00 0.00 55.95 56.95 1sxm s SER 9 Cb 0.03 0.18 1.26 0.00 0.10 0.00 0.00 66.02 67.59 1sxm s SER 9 CO -0.01 -0.22 1.89 -0.65 0.98 0.00 0.00 173.24 175.22 1sxm h PRO 10 N 2.27 0.00 0.00 4.02 0.11 -1.89 -3.11 132.00 133.40 1sxm h PRO 10 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1sxm h PRO 10 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1sxm h PRO 10 CO 0.26 0.00 0.00 -0.22 -0.21 0.00 0.00 178.00 177.83 1sxm h LYS 11 N 0.00 0.00 -0.01 1.05 1.63 -1.96 -2.05 116.57 115.24 1sxm h LYS 11 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1sxm h LYS 11 Cb 0.42 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1sxm h LYS 11 CO 0.00 0.00 -0.22 0.94 -3.45 0.00 0.00 179.45 176.72 1sxm n GLN 12 N -2.34 0.90 -0.00 1.90 -0.06 -1.17 -3.67 117.38 112.93 1sxm n GLN 12 Ca 0.05 -0.51 0.04 0.00 -2.00 0.00 0.00 57.00 54.57 1sxm n GLN 12 Cb 0.40 -1.49 -0.05 0.00 -4.06 0.00 0.00 30.24 25.04 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 -1.38 0.58 -0.02 0.00 7.64 -0.78 -2.80 113.62 116.86 1sxm n SER 14 Ca 0.00 -0.71 -0.03 0.00 1.01 0.00 0.00 58.87 59.14 1sxm n SER 14 Cb 0.14 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.74 -0.08 -0.28 1.43 1.57 -1.77 -3.16 116.57 115.02 1sxm h LYS 15 Ca 0.00 0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1sxm h LYS 15 Cb 0.36 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1sxm h LYS 15 CO 0.00 0.05 -0.34 -1.00 -0.57 0.00 0.00 179.45 177.60 1sxm h PRO 16 N -1.01 0.72 -0.03 3.15 0.13 -1.81 -3.05 132.00 130.09 1sxm h PRO 16 Ca -0.01 -0.40 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 1sxm h PRO 16 Cb 0.17 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 1sxm h PRO 16 CO 0.01 1.02 -0.46 0.00 -0.23 0.00 0.00 178.00 178.35 1sxm n LYS 18 N -3.99 0.46 0.07 0.00 5.02 -1.19 -0.70 118.16 117.83 1sxm n LYS 18 Ca -0.02 -0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 1sxm n LYS 18 Cb 0.49 -1.50 -0.05 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 0.56 0.00 0.00 1.97 4.22 -1.36 -3.21 114.58 116.76 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 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1sxm h GLU 19 CO 0.00 0.41 -0.31 -0.07 -2.18 0.00 0.00 179.01 176.85 1sxm h LEU 20 N 0.00 0.00 -0.21 1.64 3.38 -1.25 -3.43 115.31 115.45 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 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1sxm h LEU 20 CO 0.06 0.49 -0.83 -1.22 0.09 0.00 0.00 178.44 177.03 1sxm n TYR 21 N -3.84 0.00 0.00 1.13 4.02 0.12 -5.04 117.16 113.56 1sxm n TYR 21 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 1sxm n TYR 21 Cb 0.16 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 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 1.98 0.00 2.72 0.00 -1.21 -3.56 105.19 106.60 1sxm n GLY 22 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 3.97 0.00 -3.83 1.61 7.64 -1.26 -4.64 113.62 117.12 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 5.79 -4.06 6.43 2.88 -1.23 -4.97 113.62 118.45 1sxm n SER 24 Ca 0.00 -3.44 -0.27 0.00 -1.33 0.00 0.00 58.87 53.83 1sxm n SER 24 Cb 0.00 -1.11 -0.17 0.00 -0.75 0.00 0.00 64.21 62.19 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 -2.80 1.55 -0.87 -1.46 0.00 -1.16 -3.94 121.76 113.08 1sxm s ALA 25 Ca 0.34 -0.61 -0.09 0.00 0.00 0.00 0.00 51.96 51.60 1sxm s ALA 25 Cb 0.08 -0.70 0.22 0.00 0.00 0.00 0.00 23.12 22.72 1sxm s ALA 25 CO 0.07 0.06 0.79 0.20 0.00 0.00 0.00 175.76 176.88 1sxm s GLY 26 N 0.76 2.85 -0.37 0.00 0.00 -1.11 -4.20 107.32 105.24 1sxm s GLY 26 Ca -0.12 -3.53 -0.18 0.00 0.00 0.00 0.00 44.72 40.88 1sxm s GLY 26 CO 0.02 1.24 0.52 0.00 0.00 0.00 0.00 173.10 174.88 1sxm s ALA 27 N -0.50 3.45 0.04 3.20 0.00 -1.26 -1.87 121.76 124.82 1sxm s ALA 27 Ca 0.23 -1.10 0.09 0.00 0.00 0.00 0.00 51.96 51.18 1sxm s ALA 27 Cb -0.12 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 1sxm s ALA 27 CO -0.08 -1.33 -0.25 0.15 0.00 0.00 0.00 175.76 174.26 1sxm s LYS 28 N 2.41 1.69 -0.17 0.00 -0.14 -1.01 -4.85 119.74 117.67 1sxm s LYS 28 Ca 0.18 -1.04 -0.04 0.00 -1.36 0.00 0.00 55.97 53.71 1sxm s LYS 28 Cb -0.15 -1.83 0.07 0.00 -1.68 0.00 0.00 37.83 34.24 1sxm s LYS 28 CO 0.14 0.47 0.13 0.00 -0.76 0.00 0.00 175.35 175.34 1sxm s MET 30 N 2.21 3.28 1.03 0.00 -1.94 -1.07 -4.65 119.30 118.16 1sxm s MET 30 Ca 0.04 -0.72 0.00 0.00 -1.71 0.00 0.00 55.69 53.30 1sxm s MET 30 Cb -0.16 -2.67 0.00 0.00 2.01 0.00 0.00 34.83 34.01 1sxm s MET 30 CO -0.10 0.05 0.00 -1.71 -0.01 0.00 0.00 175.02 173.25 1sxm n ASN 31 N 3.99 0.00 -2.68 3.03 5.15 -1.26 -2.61 115.26 120.89 1sxm n ASN 31 Ca -0.19 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.74 1sxm n ASN 31 Cb 0.52 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.82 1sxm n ASN 31 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sxm n GLY 32 N 0.00 0.19 3.29 8.20 0.00 -1.26 -4.84 105.19 110.77 1sxm n GLY 32 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 0.74 0.08 1.61 1.02 -1.07 -3.36 119.74 118.87 1sxm s LYS 33 Ca 0.13 -0.11 0.03 0.00 0.02 0.00 0.00 55.97 56.04 1sxm s LYS 33 Cb 0.23 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.83 1sxm s LYS 33 CO -0.06 -0.21 0.09 0.00 -0.92 0.00 0.00 175.35 174.26 1sxm s LYS 35 N -2.41 0.84 -0.14 0.00 1.02 -0.61 -2.49 119.74 115.95 1sxm s LYS 35 Ca 0.30 -0.34 0.01 0.00 0.02 0.00 0.00 55.97 55.96 1sxm s LYS 35 Cb -0.12 -0.81 0.02 0.00 -0.52 0.00 0.00 37.83 36.40 1sxm s LYS 35 CO 0.23 0.19 -0.17 0.00 -0.92 0.00 0.00 175.35 174.68 1sxm n TYR 37 N 4.51 0.00 -3.62 0.00 4.01 -0.78 -3.42 117.16 117.86 1sxm n TYR 37 Ca -0.19 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.26 1sxm n TYR 37 Cb 0.51 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.41 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 3.34 0.00 7.72 0.01 -1.26 -2.77 114.94 122.98 1sxm s ASN 38 Ca 0.00 -2.54 0.05 0.00 -0.71 0.00 0.00 52.86 49.66 1sxm s ASN 38 Cb 0.00 -0.81 0.04 0.00 0.41 0.00 0.00 41.25 40.89 1sxm s ASN 38 CO 0.00 -0.27 0.66 0.59 -1.51 0.00 0.00 177.10 176.57