#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roz h ALA 2 N 0.00 -1.17 -1.27 -1.67 0.00 -2.13 -3.37 119.26 109.64 2roz h ALA 2 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 54.91 54.27 2roz h ALA 2 Cb 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2roz h ALA 2 CO 0.00 -1.09 1.19 0.00 0.00 0.00 0.00 179.25 179.34 2roz s ALA 3 N -5.19 1.87 0.54 0.00 0.00 -1.26 -4.94 121.76 112.79 2roz s ALA 3 Ca -0.15 -0.73 -0.18 0.00 0.00 0.00 0.00 51.96 50.90 2roz s ALA 3 Cb 0.01 -4.38 -0.06 0.00 0.00 0.00 0.00 23.12 18.69 2roz s ALA 3 CO 0.45 -4.32 1.04 0.08 0.00 0.00 0.00 175.76 173.01 2roz s VAL 4 N 10.19 3.85 0.29 0.00 1.01 -1.26 -5.02 120.40 129.46 2roz s VAL 4 Ca 0.74 0.99 -0.26 0.00 0.00 0.00 0.00 61.98 63.45 2roz s VAL 4 Cb -0.12 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 2roz s VAL 4 CO 0.16 -0.41 0.91 -0.89 0.00 0.00 0.00 175.10 174.88 2roz s THR 5 N -2.27 4.23 -0.08 3.92 2.01 -1.26 -4.99 115.64 117.19 2roz s THR 5 Ca 0.65 1.81 -0.23 0.00 0.31 0.00 0.00 61.69 64.23 2roz s THR 5 Cb -0.16 -4.06 -0.19 0.00 0.01 0.00 0.00 72.50 68.11 2roz s THR 5 CO 0.30 0.23 0.87 1.55 -0.69 0.00 0.00 174.62 176.87 2roz h PRO 6 N 3.41 -0.08 -0.36 4.92 0.13 -2.00 -2.84 132.00 135.18 2roz h PRO 6 Ca -0.47 0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.74 2roz h PRO 6 Cb 1.19 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 2roz h PRO 6 CO 0.66 0.51 -0.10 1.49 -0.23 0.00 0.00 178.00 180.33 2roz h GLU 7 N -0.83 -0.01 0.04 0.86 4.57 -2.00 -2.16 114.58 115.06 2roz h GLU 7 Ca -0.01 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2roz h GLU 7 Cb 0.63 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.17 2roz h GLU 7 CO 0.01 -0.00 -0.39 1.49 -1.18 0.00 0.00 179.01 178.94 2roz h GLU 8 N -0.01 -0.56 -0.90 1.92 4.57 -1.99 -1.43 114.58 116.19 2roz h GLU 8 Ca 0.18 0.04 0.21 0.00 -1.18 0.00 0.00 59.36 58.61 2roz h GLU 8 Cb 0.27 0.13 -0.17 0.00 -0.16 0.00 0.00 28.75 28.82 2roz h GLU 8 CO -0.38 -0.37 -0.07 0.00 -1.18 0.00 0.00 179.01 177.02 2roz h ARG 9 N -0.58 0.03 -0.98 1.92 2.47 -1.15 1.78 114.38 117.87 2roz h ARG 9 Ca 0.04 -0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.90 2roz h ARG 9 Cb 0.64 -0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 28.86 2roz h ARG 9 CO -0.28 0.02 0.61 1.25 0.56 0.00 0.00 179.97 182.13 2roz h HIS 10 N 0.03 1.09 0.00 3.04 2.76 -0.68 0.37 115.15 121.77 2roz h HIS 10 Ca 0.49 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.70 2roz h HIS 10 Cb 0.90 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2roz h HIS 10 CO -0.55 0.38 -0.01 -0.07 -1.30 0.00 0.00 177.93 176.38 2roz h LEU 11 N 0.91 0.00 -1.87 0.26 3.38 0.25 -2.55 115.31 115.69 2roz h LEU 11 Ca 0.51 0.00 0.54 0.00 0.09 0.00 0.00 57.88 59.02 2roz h LEU 11 Cb 0.59 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 2roz h LEU 11 CO -0.30 0.19 1.34 -0.24 0.09 0.00 0.00 178.44 179.52 2roz n SER 12 N -3.06 0.01 0.01 -0.43 2.88 0.44 -0.28 113.62 113.19 2roz n SER 12 Ca -0.00 0.97 -0.01 0.00 -1.33 0.00 0.00 58.87 58.50 2roz n SER 12 Cb 0.00 -0.48 -0.00 0.00 -0.75 0.00 0.00 64.21 62.98 2roz n SER 12 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2roz h LYS 13 N 0.00 -0.05 -1.35 -1.46 3.64 -0.34 -3.30 116.57 113.71 2roz h LYS 13 Ca 0.90 0.00 0.45 0.00 -1.27 0.00 0.00 60.65 60.73 2roz h LYS 13 Cb 3.57 0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 35.27 2roz h LYS 13 CO -0.03 -0.03 0.87 0.52 -2.27 0.00 0.00 179.45 178.50 2roz h MET 14 N -0.18 0.05 -0.36 1.90 2.86 -0.20 0.16 114.93 119.16 2roz h MET 14 Ca -0.01 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2roz h MET 14 Cb 0.04 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.63 2roz h MET 14 CO 0.01 0.03 -0.36 1.96 1.06 0.00 0.00 176.91 179.61 2roz h GLN 15 N 0.05 -0.18 0.00 1.72 4.20 -0.83 -1.98 115.11 118.10 2roz h GLN 15 Ca 0.85 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.57 2roz h GLN 15 Cb 2.69 0.04 0.00 0.00 0.30 0.00 0.00 27.48 30.51 2roz h GLN 15 CO -0.44 -0.12 -0.22 1.04 -0.67 0.00 0.00 178.83 178.42 2roz n GLN 16 N -4.40 0.15 -0.12 1.46 6.02 0.05 -4.63 117.38 115.89 2roz n GLN 16 Ca -0.01 0.21 -0.08 0.00 -0.01 0.00 0.00 57.00 57.10 2roz n GLN 16 Cb 0.20 -0.91 -0.06 0.00 1.02 0.00 0.00 30.24 30.49 2roz n GLN 16 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2roz h ASN 17 N -0.30 -1.22 -4.15 1.08 2.35 -0.95 -3.47 115.58 108.91 2roz h ASN 17 Ca 0.00 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2roz h ASN 17 Cb 0.22 0.51 0.00 0.00 0.05 0.00 0.00 38.32 39.10 2roz h ASN 17 CO 0.00 -0.23 0.00 0.61 -1.65 0.00 0.00 177.43 176.16 2roz n GLY 18 N -1.22 -2.20 3.09 2.83 0.00 -0.74 -4.93 105.19 102.02 2roz n GLY 18 Ca -0.02 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.29 -0.31 -0.30 1.61 6.14 -1.26 -4.66 117.35 118.28 2roz s TYR 19 Ca 0.00 0.75 0.01 0.00 0.64 0.00 0.00 57.07 58.47 2roz s TYR 19 Cb 0.00 0.07 0.07 0.00 0.42 0.00 0.00 41.96 42.52 2roz s TYR 19 CO 0.00 -0.19 -0.01 -2.00 0.64 0.00 0.00 175.55 173.98 2roz s GLU 20 N 0.78 2.12 -0.84 4.97 2.12 -1.26 -5.04 118.70 121.56 2roz s GLU 20 Ca -0.05 -1.48 -0.34 0.00 0.36 0.00 0.00 54.97 53.45 2roz s GLU 20 Cb -0.07 -3.11 -0.21 0.00 0.26 0.00 0.00 34.13 31.00 2roz s GLU 20 CO -0.05 -0.71 2.53 -1.71 -0.54 0.00 0.00 175.26 174.78 2roz n ASN 21 N 4.47 0.50 -3.69 -1.70 2.85 -1.26 -4.71 115.26 111.72 2roz n ASN 21 Ca -0.09 0.30 -0.43 0.00 -0.11 0.00 0.00 54.58 54.26 2roz n ASN 21 Cb 0.42 -0.94 -0.03 0.00 1.24 0.00 0.00 39.78 40.48 2roz n ASN 21 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2roz n PRO 22 N 8.24 2.14 0.00 1.20 -0.04 -1.26 -3.00 135.00 142.28 2roz n PRO 22 Ca 0.62 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 2roz n PRO 22 Cb 0.03 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.39 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 5.60 0.00 -0.86 0.52 5.66 -1.26 -5.15 114.28 118.79 2roz n THR 23 Ca 0.51 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 61.15 2roz n THR 23 Cb 0.40 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.27 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 -1.50 -1.35 -3.61 1.09 9.36 -1.16 -5.03 117.16 114.96 2roz n TYR 24 Ca 0.00 0.46 -0.04 0.00 3.32 0.00 0.00 57.90 61.64 2roz n TYR 24 Cb 0.00 -1.45 -0.02 0.00 -0.63 0.00 0.00 39.34 37.25 2roz n TYR 24 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2roz s LYS 25 N -2.57 0.68 0.04 2.98 2.20 -1.26 -5.14 119.74 116.66 2roz s LYS 25 Ca 0.43 -0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 55.44 2roz s LYS 25 Cb 0.02 0.27 0.10 0.00 -1.51 0.00 0.00 37.83 36.71 2roz s LYS 25 CO 0.65 -0.30 1.15 -0.59 -0.36 0.00 0.00 175.35 175.89 2roz s PHE 26 N -2.82 -0.09 0.41 4.03 -0.12 -1.26 -5.19 117.98 112.94 2roz s PHE 26 Ca 0.10 -0.08 0.03 0.00 -0.05 0.00 0.00 56.93 56.93 2roz s PHE 26 Cb 0.00 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 2roz s PHE 26 CO -0.04 -0.48 0.09 -0.59 -0.05 0.00 0.00 175.22 174.15 2roz s PHE 27 N -2.77 1.85 -0.04 3.49 -0.12 -1.26 -5.15 117.98 113.98 2roz s PHE 27 Ca 0.13 -1.15 -0.03 0.00 -0.05 0.00 0.00 56.93 55.82 2roz s PHE 27 Cb 0.02 -1.27 -0.04 0.00 -0.63 0.00 0.00 43.02 41.10 2roz s PHE 27 CO -0.02 -0.13 0.14 -1.21 -0.05 0.00 0.00 175.22 173.95 2roz s GLU 28 N -3.77 3.32 0.46 1.99 0.41 -1.26 -5.11 118.70 114.74 2roz s GLU 28 Ca 0.23 -0.31 0.04 0.00 -0.41 0.00 0.00 54.97 54.53 2roz s GLU 28 Cb 0.04 -3.05 -0.04 0.00 -1.78 0.00 0.00 34.13 29.29 2roz s GLU 28 CO 0.13 0.70 0.03 -0.65 -0.49 0.00 0.00 175.26 174.98 2roz s GLN 29 N -1.57 2.09 0.02 1.61 -1.52 -1.26 -5.16 119.66 113.87 2roz s GLN 29 Ca 0.22 -2.22 -0.09 0.00 -1.95 0.00 0.00 55.36 51.32 2roz s GLN 29 Cb -0.12 -1.63 0.00 0.00 -0.22 0.00 0.00 33.01 31.04 2roz s GLN 29 CO 0.12 -0.21 0.17 -1.64 -0.25 0.00 0.00 175.29 173.49 2roz s MET 30 N -3.81 0.60 -0.22 2.91 -1.94 -1.26 -5.03 119.30 110.55 2roz s MET 30 Ca 0.22 -0.51 -0.05 0.00 -1.71 0.00 0.00 55.69 53.65 2roz s MET 30 Cb 0.06 0.25 0.02 0.00 2.01 0.00 0.00 34.83 37.16 2roz s MET 30 CO 0.12 -0.16 0.10 1.04 -0.01 0.00 0.00 175.02 176.10 2roz n GLN 31 N 1.05 -3.56 -0.09 2.03 1.13 -1.26 -5.36 117.38 111.32 2roz n GLN 31 Ca -0.21 2.81 0.00 0.00 -1.94 0.00 0.00 57.00 57.67 2roz n GLN 31 Cb 0.57 -4.67 0.00 0.00 0.11 0.00 0.00 30.24 26.25 2roz n GLN 31 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91