#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roz n ALA 2 N 0.00 1.11 -2.84 -1.67 0.00 -1.26 -5.10 120.51 110.76 2roz n ALA 2 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2roz n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2roz n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2roz n ALA 3 N -3.32 -2.66 -0.81 0.00 0.00 -1.26 -5.00 120.51 107.47 2roz n ALA 3 Ca 0.00 0.44 -0.05 0.00 0.00 0.00 0.00 53.44 53.83 2roz n ALA 3 Cb 0.00 -2.23 0.08 0.00 0.00 0.00 0.00 19.45 17.30 2roz n ALA 3 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2roz n VAL 4 N -1.14 0.00 -1.89 0.00 0.24 -1.26 -4.91 118.33 109.37 2roz n VAL 4 Ca 0.04 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.34 61.95 2roz n VAL 4 Cb 0.47 -0.37 0.03 0.00 -1.47 0.00 0.00 33.84 32.50 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 -1.34 2.32 -0.07 3.34 2.01 -1.26 -4.96 115.64 115.67 2roz s THR 5 Ca 0.19 0.24 -0.27 0.00 0.31 0.00 0.00 61.69 62.16 2roz s THR 5 Cb -0.03 -3.12 -0.23 0.00 0.01 0.00 0.00 72.50 69.13 2roz s THR 5 CO 0.16 -0.01 1.02 1.55 -0.69 0.00 0.00 174.62 176.66 2roz h PRO 6 N 1.53 0.04 0.54 4.92 0.13 -2.01 -3.18 132.00 133.96 2roz h PRO 6 Ca -0.51 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 2roz h PRO 6 Cb 1.29 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2roz h PRO 6 CO 0.58 0.78 -0.30 1.49 -0.23 0.00 0.00 178.00 180.32 2roz h GLU 7 N -0.69 -0.75 -0.99 0.86 4.57 -2.01 -2.53 114.58 113.04 2roz h GLU 7 Ca -0.00 0.05 0.30 0.00 -1.18 0.00 0.00 59.36 58.53 2roz h GLU 7 Cb 0.79 0.17 -0.18 0.00 -0.16 0.00 0.00 28.75 29.37 2roz h GLU 7 CO 0.01 -0.50 0.13 1.49 -1.18 0.00 0.00 179.01 178.97 2roz h GLU 8 N -0.78 0.01 -0.20 1.92 4.57 -1.97 0.75 114.58 118.88 2roz h GLU 8 Ca -0.07 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.17 2roz h GLU 8 Cb 0.62 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.14 2roz h GLU 8 CO 0.09 0.01 -0.20 0.00 -1.18 0.00 0.00 179.01 177.73 2roz h ARG 9 N 0.01 -0.21 -0.69 1.92 3.08 -1.43 0.43 114.38 117.49 2roz h ARG 9 Ca 0.65 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.86 2roz h ARG 9 Cb 1.45 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 31.42 2roz h ARG 9 CO -0.89 -0.14 -0.06 1.25 -1.07 0.00 0.00 179.97 179.05 2roz h HIS 10 N -0.22 -0.17 0.52 3.04 2.76 0.61 0.30 115.15 121.99 2roz h HIS 10 Ca 0.12 0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 2roz h HIS 10 Cb 0.40 0.18 0.01 0.00 1.55 0.00 0.00 27.41 29.55 2roz h HIS 10 CO -0.34 -0.24 -0.25 -0.07 -1.30 0.00 0.00 177.93 175.73 2roz h LEU 11 N 0.06 -0.60 -1.50 0.26 3.38 -0.81 -1.37 115.31 114.74 2roz h LEU 11 Ca 0.36 -0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.44 2roz h LEU 11 Cb 0.59 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2roz h LEU 11 CO -0.65 -0.30 0.76 0.28 0.09 0.00 0.00 178.44 178.63 2roz h SER 12 N -0.90 0.00 0.00 -0.43 0.02 0.12 0.76 113.55 113.12 2roz h SER 12 Ca -0.07 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2roz h SER 12 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2roz h SER 12 CO 0.12 0.00 -0.00 0.50 -1.14 0.00 0.00 176.83 176.31 2roz h LYS 13 N 0.00 -0.00 0.00 3.45 3.64 0.21 -3.31 116.57 120.56 2roz h LYS 13 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2roz h LYS 13 Cb 1.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 2roz h LYS 13 CO -0.00 -0.00 0.24 0.52 -2.27 0.00 0.00 179.45 177.93 2roz h MET 14 N -0.02 0.00 -0.18 1.90 2.86 -0.23 2.02 114.93 121.28 2roz h MET 14 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2roz h MET 14 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2roz h MET 14 CO 0.00 0.00 -0.05 1.96 1.06 0.00 0.00 176.91 179.88 2roz h GLN 15 N 0.00 0.27 0.00 1.72 4.20 0.41 -3.30 115.11 118.41 2roz h GLN 15 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2roz h GLN 15 Cb 0.47 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2roz h GLN 15 CO 0.00 0.34 0.00 0.00 -0.67 0.00 0.00 178.83 178.50 2roz n GLN 16 N -4.33 0.00 0.32 1.46 -0.00 0.73 -4.83 117.38 110.72 2roz n GLN 16 Ca -0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.00 57.19 2roz n GLN 16 Cb 0.22 -0.13 1.08 0.00 -0.00 0.00 0.00 30.24 31.41 2roz n GLN 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2roz h ASN 17 N 0.00 0.00 0.00 2.61 -0.26 0.28 -3.47 115.58 114.74 2roz h ASN 17 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2roz h ASN 17 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2roz h ASN 17 CO 0.00 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.98 2roz n GLY 18 N -1.19 0.81 3.64 2.83 0.00 -0.64 -4.86 105.19 105.78 2roz n GLY 18 Ca -0.03 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.75 -0.26 1.61 5.04 -1.26 -4.33 117.35 117.40 2roz s TYR 19 Ca 0.00 1.67 0.03 0.00 -2.44 0.00 0.00 57.07 56.32 2roz s TYR 19 Cb 0.00 0.40 0.06 0.00 0.35 0.00 0.00 41.96 42.77 2roz s TYR 19 CO 0.00 -0.36 -0.10 -2.00 -1.34 0.00 0.00 175.55 171.75 2roz s GLU 20 N 0.80 2.15 -0.20 4.97 2.12 -1.26 -5.07 118.70 122.21 2roz s GLU 20 Ca -0.03 -1.33 -0.33 0.00 0.36 0.00 0.00 54.97 53.64 2roz s GLU 20 Cb -0.05 -2.87 -0.10 0.00 0.26 0.00 0.00 34.13 31.38 2roz s GLU 20 CO -0.09 -0.59 2.06 -1.71 -0.54 0.00 0.00 175.26 174.40 2roz n ASN 21 N 4.45 3.00 -3.81 -1.70 2.85 -1.26 -4.81 115.26 113.98 2roz n ASN 21 Ca -0.13 0.61 -0.42 0.00 -0.11 0.00 0.00 54.58 54.53 2roz n ASN 21 Cb 0.42 -1.38 -0.03 0.00 1.24 0.00 0.00 39.78 40.03 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 7.66 2.18 0.00 1.20 -0.04 -1.26 -3.06 135.00 141.68 2roz n PRO 22 Ca 0.30 -2.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.46 2roz n PRO 22 Cb 0.31 -3.17 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 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 5.80 0.00 -0.26 0.52 5.66 -1.26 -4.98 114.28 119.76 2roz n THR 23 Ca 0.50 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.42 2roz n THR 23 Cb 0.41 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.15 2roz n THR 23 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 175.07 172.24 2roz h TYR 24 N 0.00 -1.34 -3.57 1.09 3.20 -1.95 -3.47 116.97 110.94 2roz h TYR 24 Ca 0.00 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2roz h TYR 24 Cb 0.00 0.68 0.00 0.00 1.54 0.00 0.00 36.73 38.95 2roz h TYR 24 CO 0.00 -0.42 -0.86 1.63 -1.64 0.00 0.00 178.16 176.88 2roz n LYS 25 N -5.40 -4.46 -3.57 1.82 5.02 -1.26 -5.09 118.16 105.22 2roz n LYS 25 Ca 0.03 3.28 -0.06 0.00 -2.02 0.00 0.00 58.31 59.54 2roz n LYS 25 Cb 0.35 -3.66 -0.02 0.00 -0.02 0.00 0.00 35.03 31.67 2roz n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2roz s PHE 26 N -2.76 -0.20 0.13 2.13 -0.71 -1.26 -5.19 117.98 110.12 2roz s PHE 26 Ca 0.00 0.17 -0.08 0.00 -1.04 0.00 0.00 56.93 55.98 2roz s PHE 26 Cb 0.00 0.51 0.03 0.00 -1.21 0.00 0.00 43.02 42.35 2roz s PHE 26 CO 0.00 -0.29 0.40 1.19 -1.34 0.00 0.00 175.22 175.17 2roz n PHE 27 N 0.00 -1.30 -3.09 3.49 3.72 -1.26 -5.08 117.46 113.95 2roz n PHE 27 Ca -0.03 -0.70 -0.44 0.00 -0.05 0.00 0.00 57.45 56.23 2roz n PHE 27 Cb 0.59 0.35 0.00 0.00 -0.94 0.00 0.00 39.48 39.48 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 -0.27 3.95 -3.35 -1.08 4.07 -1.26 -4.88 120.64 117.82 2roz n GLU 28 Ca -0.03 -4.39 0.02 0.00 -0.06 0.00 0.00 57.16 52.70 2roz n GLU 28 Cb 0.26 -2.59 -0.03 0.00 -0.06 0.00 0.00 31.44 29.02 2roz n GLU 28 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 2roz s GLN 29 N -1.63 0.41 0.28 5.31 0.74 -1.26 -5.17 119.66 118.34 2roz s GLN 29 Ca 0.32 0.90 0.07 0.00 0.05 0.00 0.00 55.36 56.71 2roz s GLN 29 Cb -0.02 0.53 -0.03 0.00 1.10 0.00 0.00 33.01 34.59 2roz s GLN 29 CO 0.01 -0.27 0.25 1.41 -0.55 0.00 0.00 175.29 176.14 2roz s MET 30 N 2.76 2.89 0.92 1.67 1.75 -1.26 -5.12 119.30 122.90 2roz s MET 30 Ca 0.03 -1.12 -0.14 0.00 -1.25 0.00 0.00 55.69 53.20 2roz s MET 30 Cb -0.11 -2.56 0.16 0.00 2.84 0.00 0.00 34.83 35.16 2roz s MET 30 CO -0.18 0.29 1.25 -0.65 -0.65 0.00 0.00 175.02 175.08 2roz s GLN 31 N -3.91 1.05 0.00 4.11 -1.52 -1.26 -5.27 119.66 112.86 2roz s GLN 31 Ca 0.36 -0.16 0.00 0.00 -1.95 0.00 0.00 55.36 53.61 2roz s GLN 31 Cb -0.07 -1.87 0.00 0.00 -0.22 0.00 0.00 33.01 30.85 2roz s GLN 31 CO 0.26 -2.17 0.00 -1.71 -0.25 0.00 0.00 175.29 171.41