#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roz s ALA 2 N 0.00 1.81 -1.10 -1.67 0.00 -1.26 -5.07 121.76 114.47 2roz s ALA 2 Ca 0.00 -1.19 -0.16 0.00 0.00 0.00 0.00 51.96 50.61 2roz s ALA 2 Cb 0.00 -0.28 0.15 0.00 0.00 0.00 0.00 23.12 22.99 2roz s ALA 2 CO 0.00 0.38 1.32 0.00 0.00 0.00 0.00 175.76 177.45 2roz s ALA 3 N -1.04 3.73 1.00 0.00 0.00 -1.26 -5.00 121.76 119.20 2roz s ALA 3 Ca 0.07 -3.12 0.00 0.00 0.00 0.00 0.00 51.96 48.91 2roz s ALA 3 Cb -0.10 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 18.92 2roz s ALA 3 CO 0.04 -2.87 0.00 1.33 0.00 0.00 0.00 175.76 174.26 2roz n VAL 4 N 5.00 0.00 -2.70 0.00 0.24 -1.26 -4.94 118.33 114.68 2roz n VAL 4 Ca 0.32 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.24 2roz n VAL 4 Cb 0.45 -0.14 -0.06 0.00 -1.47 0.00 0.00 33.84 32.63 2roz n VAL 4 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2roz s THR 5 N 0.00 4.01 -0.02 3.34 2.01 -1.26 -4.98 115.64 118.74 2roz s THR 5 Ca 0.00 1.74 -0.22 0.00 0.31 0.00 0.00 61.69 63.52 2roz s THR 5 Cb 0.00 -4.00 -0.22 0.00 0.01 0.00 0.00 72.50 68.29 2roz s THR 5 CO 0.00 0.20 1.10 1.55 -0.69 0.00 0.00 174.62 176.78 2roz h PRO 6 N 3.28 0.28 -0.69 4.92 0.13 -1.99 -2.07 132.00 135.86 2roz h PRO 6 Ca -0.47 -0.27 0.04 0.00 -0.87 0.00 0.00 66.00 64.43 2roz h PRO 6 Cb 1.20 0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 2roz h PRO 6 CO 0.65 0.96 0.42 1.49 -0.23 0.00 0.00 178.00 181.29 2roz h GLU 7 N -0.30 0.79 0.11 0.86 4.57 -2.00 -1.96 114.58 116.66 2roz h GLU 7 Ca -0.04 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2roz h GLU 7 Cb 1.07 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 2roz h GLU 7 CO 0.07 0.52 -0.05 1.49 -1.18 0.00 0.00 179.01 179.86 2roz h GLU 8 N 0.81 -0.15 -0.78 1.92 4.57 -1.98 -2.86 114.58 116.13 2roz h GLU 8 Ca 0.29 0.01 0.18 0.00 -1.18 0.00 0.00 59.36 58.65 2roz h GLU 8 Cb 0.06 0.03 -0.14 0.00 -0.16 0.00 0.00 28.75 28.55 2roz h GLU 8 CO -0.13 0.06 0.01 0.00 -1.18 0.00 0.00 179.01 177.78 2roz h ARG 9 N -0.34 0.10 -0.72 1.92 3.08 -1.00 1.67 114.38 119.09 2roz h ARG 9 Ca -0.02 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.13 2roz h ARG 9 Cb 0.28 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 2roz h ARG 9 CO 0.03 0.06 0.47 1.25 -1.07 0.00 0.00 179.97 180.71 2roz h HIS 10 N 0.10 0.63 0.00 3.04 2.76 -1.19 -1.15 115.15 119.34 2roz h HIS 10 Ca 0.43 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.61 2roz h HIS 10 Cb 0.76 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.52 2roz h HIS 10 CO -0.43 0.29 -0.01 -0.07 -1.30 0.00 0.00 177.93 176.41 2roz h LEU 11 N 0.58 0.00 -1.67 0.26 3.38 0.16 -3.15 115.31 114.88 2roz h LEU 11 Ca 0.33 -0.78 0.35 0.00 0.09 0.00 0.00 57.88 57.88 2roz h LEU 11 Cb 0.52 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2roz h LEU 11 CO -0.12 0.90 1.07 0.28 0.09 0.00 0.00 178.44 180.66 2roz h SER 12 N -1.00 0.00 0.14 -0.43 0.02 0.24 0.71 113.55 113.23 2roz h SER 12 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2roz h SER 12 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2roz h SER 12 CO -0.00 0.00 -0.07 0.50 -1.14 0.00 0.00 176.83 176.12 2roz h LYS 13 N 0.00 -0.18 0.00 3.45 3.64 -1.27 -3.18 116.57 119.03 2roz h LYS 13 Ca 0.58 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 2roz h LYS 13 Cb 2.71 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 34.57 2roz h LYS 13 CO -0.01 0.21 0.00 -1.33 -2.27 0.00 0.00 179.45 176.05 2roz n MET 14 N -4.88 0.12 0.01 1.90 2.81 0.19 0.79 117.12 118.05 2roz n MET 14 Ca -0.06 0.50 0.13 0.00 -1.81 0.00 0.00 57.70 56.46 2roz n MET 14 Cb 0.24 -1.80 0.59 0.00 -0.71 0.00 0.00 33.22 31.54 2roz n MET 14 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2roz n GLN 15 N -2.03 0.01 0.00 0.03 6.02 0.18 -4.29 117.38 117.30 2roz n GLN 15 Ca 0.01 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2roz n GLN 15 Cb 0.11 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.85 2roz n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2roz n GLN 16 N -1.54 0.00 -0.53 -1.09 10.64 -0.00 -4.90 117.38 119.96 2roz n GLN 16 Ca 0.07 0.00 0.45 0.00 -1.83 0.00 0.00 57.00 55.69 2roz n GLN 16 Cb 0.33 0.00 0.74 0.00 -0.86 0.00 0.00 30.24 30.45 2roz n GLN 16 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 2roz h ASN 17 N 0.00 0.00 -1.15 2.61 2.35 -0.35 -3.45 115.58 115.58 2roz h ASN 17 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 2roz h ASN 17 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2roz h ASN 17 CO 0.00 0.00 -0.12 0.61 -1.65 0.00 0.00 177.43 176.27 2roz n GLY 18 N -1.85 -0.81 2.95 2.83 0.00 0.24 -4.87 105.19 103.67 2roz n GLY 18 Ca 0.37 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 2roz n GLY 18 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2roz s TYR 19 N -0.61 0.46 -0.19 1.61 5.04 -1.26 -4.64 117.35 117.75 2roz s TYR 19 Ca 0.00 -0.09 0.01 0.00 -2.44 0.00 0.00 57.07 54.55 2roz s TYR 19 Cb 0.00 -0.31 0.03 0.00 0.35 0.00 0.00 41.96 42.03 2roz s TYR 19 CO 0.00 -0.02 -0.17 -2.00 -1.34 0.00 0.00 175.55 172.03 2roz s GLU 20 N -0.06 2.65 -0.09 4.97 2.12 -1.26 -5.08 118.70 121.94 2roz s GLU 20 Ca 0.01 -0.84 -0.29 0.00 0.36 0.00 0.00 54.97 54.21 2roz s GLU 20 Cb -0.03 -2.50 -0.06 0.00 0.26 0.00 0.00 34.13 31.81 2roz s GLU 20 CO -0.00 -0.29 1.81 1.21 -0.54 0.00 0.00 175.26 177.45 2roz s ASN 21 N 1.32 6.37 0.24 -1.70 3.84 -1.26 -4.86 114.94 118.89 2roz s ASN 21 Ca 0.03 2.15 0.10 0.00 0.21 0.00 0.00 52.86 55.35 2roz s ASN 21 Cb -0.14 -2.53 0.21 0.00 -0.55 0.00 0.00 41.25 38.24 2roz s ASN 21 CO -0.11 -1.19 1.52 1.55 -2.79 0.00 0.00 177.10 176.08 2roz h PRO 22 N 10.88 0.00 -0.69 0.43 0.13 -2.02 -3.19 132.00 137.53 2roz h PRO 22 Ca -0.41 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.75 2roz h PRO 22 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2roz h PRO 22 CO 0.96 0.70 0.44 0.00 -0.23 0.00 0.00 178.00 179.87 2roz h THR 23 N 0.00 1.11 -0.43 1.56 1.03 -2.07 -2.76 112.91 111.35 2roz h THR 23 Ca -0.01 -0.30 0.08 0.00 -0.01 0.00 0.00 66.41 66.18 2roz h THR 23 Cb 1.29 0.17 -0.09 0.00 -1.07 0.00 0.00 68.15 68.44 2roz h THR 23 CO 0.09 0.16 -0.37 0.22 -0.01 0.00 0.00 175.52 175.61 2roz h TYR 24 N 0.86 -1.05 -5.52 0.00 3.20 -1.96 -3.47 116.97 109.03 2roz h TYR 24 Ca 0.27 0.06 -0.06 0.00 3.14 0.00 0.00 58.73 62.15 2roz h TYR 24 Cb 0.00 0.52 0.00 0.00 1.54 0.00 0.00 36.73 38.80 2roz h TYR 24 CO -0.04 -0.41 -0.75 1.63 -1.64 0.00 0.00 178.16 176.95 2roz n LYS 25 N -5.42 -2.44 -2.41 1.82 5.02 -1.04 -4.84 118.16 108.85 2roz n LYS 25 Ca 0.01 2.09 -0.42 0.00 -2.02 0.00 0.00 58.31 57.96 2roz n LYS 25 Cb 0.35 -4.78 -0.02 0.00 -0.02 0.00 0.00 35.03 30.55 2roz n LYS 25 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2roz s PHE 26 N -2.13 2.42 0.67 2.13 5.36 -1.26 -5.00 117.98 120.16 2roz s PHE 26 Ca 0.20 0.59 -0.02 0.00 -0.96 0.00 0.00 56.93 56.74 2roz s PHE 26 Cb -0.05 -4.37 0.08 0.00 -0.34 0.00 0.00 43.02 38.34 2roz s PHE 26 CO 0.75 -1.86 0.93 -0.06 -1.46 0.00 0.00 175.22 173.51 2roz s PHE 27 N 5.55 2.33 -0.44 10.12 0.08 -1.26 -5.06 117.98 129.29 2roz s PHE 27 Ca 0.55 -0.00 0.06 0.00 0.12 0.00 0.00 56.93 57.66 2roz s PHE 27 Cb -0.11 -3.00 0.32 0.00 -0.57 0.00 0.00 43.02 39.66 2roz s PHE 27 CO 0.29 -1.38 1.16 -0.85 -0.10 0.00 0.00 175.22 174.33 2roz n GLU 28 N -2.71 0.93 -3.67 0.44 0.00 -1.26 -5.11 120.64 109.26 2roz n GLU 28 Ca 0.11 -1.80 -0.10 0.00 0.00 0.00 0.00 57.16 55.37 2roz n GLU 28 Cb 0.60 -0.91 -0.11 0.00 0.00 0.00 0.00 31.44 31.02 2roz n GLU 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 2roz s GLN 29 N 0.24 0.27 -0.50 3.44 -0.21 -1.26 -5.11 119.66 116.53 2roz s GLN 29 Ca 0.22 0.90 -0.04 0.00 0.02 0.00 0.00 55.36 56.45 2roz s GLN 29 Cb 0.29 0.16 0.13 0.00 1.00 0.00 0.00 33.01 34.59 2roz s GLN 29 CO -0.07 -0.25 0.32 -1.64 -2.12 0.00 0.00 175.29 171.54 2roz s MET 30 N 2.35 2.32 -0.77 2.91 -1.94 -1.26 -4.77 119.30 118.13 2roz s MET 30 Ca -0.02 -2.07 -0.05 0.00 -1.71 0.00 0.00 55.69 51.83 2roz s MET 30 Cb -0.11 -3.72 0.05 0.00 2.01 0.00 0.00 34.83 33.06 2roz s MET 30 CO -0.11 -1.13 0.13 0.00 -0.01 0.00 0.00 175.02 173.89 2roz n GLN 31 N 4.25 -0.92 0.00 2.03 -0.00 -1.26 -5.37 117.38 116.11 2roz n GLN 31 Ca 0.01 0.05 0.00 0.00 -0.00 0.00 0.00 57.00 57.06 2roz n GLN 31 Cb 0.40 -1.85 0.00 0.00 -0.00 0.00 0.00 30.24 28.79 2roz n GLN 31 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35