#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 3.54 -0.30 2.24 0.00 -1.26 -4.76 121.76 121.22 2roz s ALA 2 Ca 0.00 -1.15 -0.19 0.00 0.00 0.00 0.00 51.96 50.62 2roz s ALA 2 Cb 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 23.12 21.78 2roz s ALA 2 CO 0.00 0.59 0.38 0.00 0.00 0.00 0.00 175.76 176.73 2roz n ALA 3 N -0.03 -2.50 -3.16 0.00 0.00 -1.26 -5.00 120.51 108.56 2roz n ALA 3 Ca -0.09 0.42 -0.01 0.00 0.00 0.00 0.00 53.44 53.77 2roz n ALA 3 Cb 0.54 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2roz n ALA 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2roz n VAL 4 N 0.33 0.00 -2.34 0.00 3.14 -1.26 -5.15 118.33 113.04 2roz n VAL 4 Ca -0.01 -0.23 -0.39 0.00 -2.96 0.00 0.00 64.34 60.75 2roz n VAL 4 Cb 0.50 0.19 -0.03 0.00 -1.06 0.00 0.00 33.84 33.44 2roz n VAL 4 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2roz s THR 5 N -2.75 3.22 0.11 1.55 2.01 -1.26 -4.94 115.64 113.59 2roz s THR 5 Ca 0.04 1.14 0.15 0.00 0.31 0.00 0.00 61.69 63.33 2roz s THR 5 Cb -0.01 -3.69 0.04 0.00 0.01 0.00 0.00 72.50 68.86 2roz s THR 5 CO 0.03 0.20 1.59 1.55 -0.69 0.00 0.00 174.62 177.30 2roz h PRO 6 N 3.23 0.00 0.00 4.92 0.13 -2.01 -1.08 132.00 137.19 2roz h PRO 6 Ca -0.48 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 2roz h PRO 6 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2roz h PRO 6 CO 0.65 0.53 -0.77 1.49 -0.23 0.00 0.00 178.00 179.67 2roz h GLU 7 N 0.00 0.00 0.00 0.86 4.57 -1.99 -2.67 114.58 115.35 2roz h GLU 7 Ca -0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2roz h GLU 7 Cb 1.16 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2roz h GLU 7 CO 0.07 0.77 -0.06 1.49 -1.18 0.00 0.00 179.01 180.10 2roz h GLU 8 N 0.00 0.00 -0.99 1.92 4.57 -1.93 -3.23 114.58 114.92 2roz h GLU 8 Ca -0.01 0.00 0.27 0.00 -1.18 0.00 0.00 59.36 58.44 2roz h GLU 8 Cb 1.44 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.97 2roz h GLU 8 CO 0.10 0.08 0.69 0.07 -1.18 0.00 0.00 179.01 178.77 2roz h ARG 9 N -1.00 0.14 -0.42 1.92 -0.00 -1.33 1.03 114.38 114.72 2roz h ARG 9 Ca -0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.98 59.92 2roz h ARG 9 Cb 0.13 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 30.05 2roz h ARG 9 CO -0.00 0.09 0.04 1.25 -0.00 0.00 0.00 179.97 181.34 2roz h HIS 10 N 0.14 0.68 0.13 4.08 2.76 -1.58 -2.05 115.15 119.31 2roz h HIS 10 Ca 0.50 -0.07 -0.20 0.00 -2.20 0.00 0.00 60.37 58.40 2roz h HIS 10 Cb 1.71 -0.19 0.02 0.00 1.55 0.00 0.00 27.41 30.49 2roz h HIS 10 CO -0.00 0.62 -0.90 -0.07 -1.30 0.00 0.00 177.93 176.29 2roz h LEU 11 N 0.62 0.42 -1.58 0.26 3.38 0.86 -3.28 115.31 116.00 2roz h LEU 11 Ca 0.13 -0.93 0.30 0.00 0.09 0.00 0.00 57.88 57.48 2roz h LEU 11 Cb 0.34 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 2roz h LEU 11 CO 0.01 1.42 0.74 0.28 0.09 0.00 0.00 178.44 180.98 2roz h SER 12 N -0.40 0.28 -0.11 -0.43 0.02 -0.22 1.50 113.55 114.19 2roz h SER 12 Ca -0.17 0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.73 2roz h SER 12 Cb 1.63 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 64.17 2roz h SER 12 CO 0.12 0.04 -0.29 0.50 -1.14 0.00 0.00 176.83 176.06 2roz h LYS 13 N 0.24 0.57 0.00 3.45 3.64 -1.43 -2.24 116.57 120.80 2roz h LYS 13 Ca 0.60 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2roz h LYS 13 Cb 1.83 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.63 2roz h LYS 13 CO -0.21 0.80 -0.24 -1.33 -2.27 0.00 0.00 179.45 176.21 2roz n MET 14 N -4.09 0.09 0.10 1.90 2.81 0.47 0.18 117.12 118.58 2roz n MET 14 Ca -0.01 0.05 -0.16 0.00 -1.81 0.00 0.00 57.70 55.77 2roz n MET 14 Cb 0.44 -1.58 -0.11 0.00 -0.71 0.00 0.00 33.22 31.26 2roz n MET 14 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2roz h GLN 15 N 0.00 0.36 0.00 0.03 4.20 0.41 -3.37 115.11 116.74 2roz h GLN 15 Ca 0.00 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.18 2roz h GLN 15 Cb 0.58 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2roz h GLN 15 CO 0.00 1.22 0.00 1.04 -0.67 0.00 0.00 178.83 180.42 2roz n GLN 16 N -3.63 0.00 -0.38 1.46 6.02 -1.03 -4.82 117.38 114.99 2roz n GLN 16 Ca -0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.89 2roz n GLN 16 Cb 0.97 0.00 0.04 0.00 1.02 0.00 0.00 30.24 32.27 2roz n GLN 16 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2roz n ASN 17 N -0.61 -0.65 0.00 1.08 3.02 -0.96 -4.89 115.26 112.25 2roz n ASN 17 Ca 0.00 1.74 0.00 0.00 -0.03 0.00 0.00 54.58 56.29 2roz n ASN 17 Cb 0.00 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 2roz n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2roz n GLY 18 N -1.47 0.40 3.64 7.41 0.00 0.48 -4.97 105.19 110.67 2roz n GLY 18 Ca 0.10 -1.45 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 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 0.00 -0.67 -0.35 1.61 5.04 -1.26 -4.31 117.35 117.40 2roz s TYR 19 Ca 0.00 1.51 0.02 0.00 -2.44 0.00 0.00 57.07 56.15 2roz s TYR 19 Cb 0.00 0.39 0.11 0.00 0.35 0.00 0.00 41.96 42.80 2roz s TYR 19 CO 0.00 -0.33 0.11 -2.00 -1.34 0.00 0.00 175.55 171.99 2roz s GLU 20 N 0.75 1.14 -0.55 4.97 2.12 -1.26 -5.07 118.70 120.80 2roz s GLU 20 Ca -0.02 -1.59 -0.41 0.00 0.36 0.00 0.00 54.97 53.31 2roz s GLU 20 Cb -0.05 -2.54 -0.18 0.00 0.26 0.00 0.00 34.13 31.62 2roz s GLU 20 CO -0.09 -1.01 2.23 -1.71 -0.54 0.00 0.00 175.26 174.14 2roz n ASN 21 N 4.34 0.88 -4.15 -1.70 5.15 -1.26 -4.73 115.26 113.78 2roz n ASN 21 Ca 0.02 0.56 -0.39 0.00 -0.60 0.00 0.00 54.58 54.17 2roz n ASN 21 Cb 0.40 -0.96 -0.03 0.00 -0.53 0.00 0.00 39.78 38.67 2roz n ASN 21 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2roz n PRO 22 N 7.75 2.29 0.00 1.20 -0.04 -1.26 -2.96 135.00 141.97 2roz n PRO 22 Ca 0.55 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 2roz n PRO 22 Cb 0.01 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.10 2roz n PRO 22 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2roz n THR 23 N 6.38 0.00 -0.32 0.52 5.66 -1.26 -4.98 114.28 120.27 2roz n THR 23 Ca 0.49 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.49 2roz n THR 23 Cb 0.43 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.26 2roz n THR 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roz n TYR 24 N -0.84 0.06 -2.84 1.09 9.36 -1.16 -4.88 117.16 117.96 2roz n TYR 24 Ca 0.00 1.05 -0.02 0.00 3.32 0.00 0.00 57.90 62.24 2roz n TYR 24 Cb 0.00 -0.84 -0.02 0.00 -0.63 0.00 0.00 39.34 37.85 2roz n TYR 24 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2roz n LYS 25 N -5.27 -2.85 -3.61 2.98 4.81 -1.26 -5.05 118.16 107.91 2roz n LYS 25 Ca 0.09 2.34 -0.16 0.00 -0.87 0.00 0.00 58.31 59.71 2roz n LYS 25 Cb 0.35 -3.41 -0.07 0.00 0.02 0.00 0.00 35.03 31.92 2roz n LYS 25 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2roz s PHE 26 N -0.75 -0.59 -0.15 5.64 0.08 -1.26 -5.06 117.98 115.89 2roz s PHE 26 Ca -0.11 1.19 -0.09 0.00 0.12 0.00 0.00 56.93 58.04 2roz s PHE 26 Cb 0.01 0.29 0.03 0.00 -0.57 0.00 0.00 43.02 42.78 2roz s PHE 26 CO 0.47 -0.47 0.17 1.19 -0.10 0.00 0.00 175.22 176.48 2roz n PHE 27 N 1.67 -3.30 0.00 0.36 3.72 -1.26 -5.02 117.46 113.62 2roz n PHE 27 Ca -0.17 1.88 -0.02 0.00 -0.05 0.00 0.00 57.45 59.08 2roz n PHE 27 Cb 0.56 -3.17 -0.01 0.00 -0.94 0.00 0.00 39.48 35.92 2roz n PHE 27 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2roz n GLU 28 N 1.84 0.14 -2.08 -1.08 2.13 -1.26 -5.12 120.64 115.21 2roz n GLU 28 Ca -0.29 0.05 -0.02 0.00 0.66 0.00 0.00 57.16 57.57 2roz n GLU 28 Cb 0.46 -0.66 -0.02 0.00 0.27 0.00 0.00 31.44 31.49 2roz n GLU 28 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2roz n GLN 29 N -3.50 -2.14 -1.60 5.31 7.27 -1.26 -4.89 117.38 116.57 2roz n GLN 29 Ca -0.04 1.88 -0.47 0.00 0.07 0.00 0.00 57.00 58.44 2roz n GLN 29 Cb 0.13 -3.13 -0.03 0.00 2.41 0.00 0.00 30.24 29.62 2roz n GLN 29 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 2roz n MET 30 N 0.67 1.42 0.16 3.69 2.81 -1.26 -4.92 117.12 119.70 2roz n MET 30 Ca -0.14 0.50 -0.08 0.00 -1.81 0.00 0.00 57.70 56.18 2roz n MET 30 Cb 0.21 -2.04 -0.04 0.00 -0.71 0.00 0.00 33.22 30.65 2roz n MET 30 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2roz h GLN 31 N 3.50 -0.48 0.00 0.03 4.20 -2.07 -3.57 115.11 116.72 2roz h GLN 31 Ca -0.43 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.31 2roz h GLN 31 Cb 1.32 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.21 2roz h GLN 31 CO 0.71 -0.32 0.00 -1.71 -0.67 0.00 0.00 178.83 176.84