#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 3.00 -3.01 -1.67 0.00 -1.26 -5.10 120.51 112.48 2roz n ALA 2 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2roz n ALA 2 Cb 0.00 0.12 0.01 0.00 0.00 0.00 0.00 19.45 19.58 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 -3.31 -2.79 -1.03 0.00 0.00 -1.26 -4.98 120.51 107.14 2roz n ALA 3 Ca 0.00 0.69 -0.30 0.00 0.00 0.00 0.00 53.44 53.83 2roz n ALA 3 Cb 0.05 -2.85 0.25 0.00 0.00 0.00 0.00 19.45 16.89 2roz n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2roz s VAL 4 N -2.65 1.55 0.19 0.00 0.11 -1.26 -4.97 120.40 113.37 2roz s VAL 4 Ca 0.17 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.93 2roz s VAL 4 Cb -0.04 -2.46 -0.08 0.00 -1.53 0.00 0.00 36.38 32.27 2roz s VAL 4 CO 0.78 0.00 1.15 -0.89 -3.33 0.00 0.00 175.10 172.80 2roz s THR 5 N -2.96 3.68 0.19 5.04 2.01 -1.26 -4.94 115.64 117.41 2roz s THR 5 Ca 0.71 1.46 0.05 0.00 0.31 0.00 0.00 61.69 64.21 2roz s THR 5 Cb -0.09 -3.93 -0.11 0.00 0.01 0.00 0.00 72.50 68.37 2roz s THR 5 CO 0.56 0.25 1.44 1.55 -0.69 0.00 0.00 174.62 177.74 2roz h PRO 6 N 5.01 0.16 0.00 4.92 0.13 -2.00 -2.76 132.00 137.45 2roz h PRO 6 Ca -0.45 -0.15 -0.07 0.00 -0.87 0.00 0.00 66.00 64.46 2roz h PRO 6 Cb 1.21 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2roz h PRO 6 CO 0.73 0.86 -0.33 1.49 -0.23 0.00 0.00 178.00 180.52 2roz h GLU 7 N 0.10 0.00 0.19 0.86 4.57 -2.00 -2.76 114.58 115.53 2roz h GLU 7 Ca -0.03 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2roz h GLU 7 Cb 1.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.97 2roz h GLU 7 CO 0.12 0.33 -0.09 1.49 -1.18 0.00 0.00 179.01 179.68 2roz h GLU 8 N 0.00 -0.24 -0.99 1.92 4.22 -1.93 -3.19 114.58 114.36 2roz h GLU 8 Ca -0.00 0.02 0.28 0.00 0.08 0.00 0.00 59.36 59.73 2roz h GLU 8 Cb 0.74 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.90 2roz h GLU 8 CO 0.04 0.05 0.54 0.00 -2.18 0.00 0.00 179.01 177.47 2roz h ARG 9 N -0.99 0.42 -0.53 1.92 3.08 -1.50 0.69 114.38 117.46 2roz h ARG 9 Ca -0.03 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.08 2roz h ARG 9 Cb 0.41 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 2roz h ARG 9 CO 0.04 0.28 0.18 1.25 -1.07 0.00 0.00 179.97 180.65 2roz h HIS 10 N 0.43 0.31 -0.12 3.04 2.76 -1.55 0.49 115.15 120.52 2roz h HIS 10 Ca 0.67 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.77 2roz h HIS 10 Cb 1.40 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.31 2roz h HIS 10 CO -0.03 0.08 -0.32 -0.07 -1.30 0.00 0.00 177.93 176.28 2roz h LEU 11 N 0.35 0.49 -0.56 0.26 3.38 0.11 -3.26 115.31 116.09 2roz h LEU 11 Ca 0.26 -0.59 0.09 0.00 0.09 0.00 0.00 57.88 57.74 2roz h LEU 11 Cb 0.31 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 2roz h LEU 11 CO -0.28 0.99 -0.38 0.28 0.09 0.00 0.00 178.44 179.15 2roz h SER 12 N 0.01 -1.29 -0.99 -0.43 0.02 0.63 1.35 113.55 112.86 2roz h SER 12 Ca -0.01 0.23 0.35 0.00 -0.84 0.00 0.00 61.79 61.52 2roz h SER 12 Cb 0.94 0.61 -0.17 0.00 0.14 0.00 0.00 62.40 63.92 2roz h SER 12 CO 0.07 -0.32 0.41 0.50 -1.14 0.00 0.00 176.83 176.35 2roz h LYS 13 N -0.20 0.10 0.12 3.45 3.64 -0.97 0.35 116.57 123.05 2roz h LYS 13 Ca 0.20 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.38 2roz h LYS 13 Cb 0.56 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2roz h LYS 13 CO -0.66 0.06 -0.91 0.52 -2.27 0.00 0.00 179.45 176.19 2roz h MET 14 N 0.10 0.25 -0.98 1.90 2.86 0.04 -3.30 114.93 115.80 2roz h MET 14 Ca 0.74 -0.43 0.16 0.00 -2.06 0.00 0.00 59.70 58.11 2roz h MET 14 Cb 1.79 0.16 -0.16 0.00 0.06 0.00 0.00 31.60 33.45 2roz h MET 14 CO -0.75 1.21 -0.37 1.96 1.06 0.00 0.00 176.91 180.02 2roz h GLN 15 N -0.42 -0.01 -6.14 1.72 4.20 0.54 -3.26 115.11 111.74 2roz h GLN 15 Ca -0.18 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.99 2roz h GLN 15 Cb 1.61 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.31 2roz h GLN 15 CO 0.11 -0.00 -0.57 1.14 -0.67 0.00 0.00 178.83 178.83 2roz s GLN 16 N -5.99 2.39 0.00 1.46 1.03 -0.37 -4.72 119.66 113.46 2roz s GLN 16 Ca -0.14 -1.47 0.00 0.00 0.04 0.00 0.00 55.36 53.79 2roz s GLN 16 Cb 0.21 -2.20 0.00 0.00 0.03 0.00 0.00 33.01 31.05 2roz s GLN 16 CO 0.72 0.21 0.00 0.09 -2.54 0.00 0.00 175.29 173.78 2roz n ASN 17 N -1.07 0.00 0.00 12.60 3.02 -1.26 -4.71 115.26 123.84 2roz n ASN 17 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2roz n ASN 17 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 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 0.00 0.67 3.65 7.41 0.00 -1.23 -4.99 105.19 110.69 2roz n GLY 18 Ca 0.00 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.55 3.21 -0.10 1.61 5.04 -1.26 -4.92 117.35 118.38 2roz s TYR 19 Ca 0.00 0.09 0.02 0.00 -2.44 0.00 0.00 57.07 54.73 2roz s TYR 19 Cb 0.00 -1.94 -0.02 0.00 0.35 0.00 0.00 41.96 40.35 2roz s TYR 19 CO 0.00 0.28 -0.15 -1.21 -1.34 0.00 0.00 175.55 173.14 2roz s GLU 20 N -0.20 3.02 -0.28 4.97 2.02 -1.26 -5.10 118.70 121.87 2roz s GLU 20 Ca 0.06 -0.71 -0.20 0.00 0.02 0.00 0.00 54.97 54.14 2roz s GLU 20 Cb -0.12 -2.50 -0.01 0.00 0.10 0.00 0.00 34.13 31.59 2roz s GLU 20 CO 0.02 0.37 0.63 1.21 0.02 0.00 0.00 175.26 177.51 2roz s ASN 21 N -0.06 6.55 0.15 -0.19 2.47 -1.26 -4.93 114.94 117.66 2roz s ASN 21 Ca -0.03 0.59 -0.03 0.00 0.42 0.00 0.00 52.86 53.81 2roz s ASN 21 Cb -0.14 -2.34 -0.04 0.00 -1.45 0.00 0.00 41.25 37.29 2roz s ASN 21 CO 0.04 -0.42 1.36 1.55 -3.72 0.00 0.00 177.10 175.90 2roz h PRO 22 N 8.02 0.39 -0.92 0.43 0.13 -2.07 -3.21 132.00 134.78 2roz h PRO 22 Ca -0.27 -0.39 0.23 0.00 -0.87 0.00 0.00 66.00 64.71 2roz h PRO 22 Cb 1.12 0.10 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 2roz h PRO 22 CO 0.79 1.05 0.42 0.00 -0.23 0.00 0.00 178.00 180.03 2roz h THR 23 N 0.24 0.46 -2.08 1.56 1.03 -2.07 -3.41 112.91 108.64 2roz h THR 23 Ca -0.06 -0.14 -0.64 0.00 -0.01 0.00 0.00 66.41 65.57 2roz h THR 23 Cb 1.47 0.02 0.08 0.00 -1.07 0.00 0.00 68.15 68.65 2roz h THR 23 CO 0.15 0.07 0.28 0.00 -0.01 0.00 0.00 175.52 176.01 2roz n TYR 24 N -5.04 1.37 -3.12 0.00 9.36 -1.22 -4.95 117.16 113.57 2roz n TYR 24 Ca 0.24 0.66 -0.06 0.00 3.32 0.00 0.00 57.90 62.05 2roz n TYR 24 Cb 0.70 -2.29 -0.02 0.00 -0.63 0.00 0.00 39.34 37.09 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 -0.53 0.87 -0.38 2.98 2.20 -1.26 -5.08 119.74 118.55 2roz s LYS 25 Ca 0.71 -0.76 0.02 0.00 -0.36 0.00 0.00 55.97 55.57 2roz s LYS 25 Cb -0.81 -0.22 0.15 0.00 -1.51 0.00 0.00 37.83 35.44 2roz s LYS 25 CO 0.53 -1.25 0.31 -0.06 -0.36 0.00 0.00 175.35 174.52 2roz s PHE 26 N 1.33 0.43 -0.06 4.03 0.40 -1.26 -5.02 117.98 117.84 2roz s PHE 26 Ca 0.22 -1.54 -0.01 0.00 -0.60 0.00 0.00 56.93 55.00 2roz s PHE 26 Cb -0.04 -0.72 0.00 0.00 0.51 0.00 0.00 43.02 42.77 2roz s PHE 26 CO -0.06 -0.89 0.02 1.19 0.70 0.00 0.00 175.22 176.18 2roz n PHE 27 N 3.76 -0.91 -1.60 0.36 3.72 -1.26 -4.83 117.46 116.69 2roz n PHE 27 Ca 0.16 0.46 -0.37 0.00 -0.05 0.00 0.00 57.45 57.66 2roz n PHE 27 Cb 0.43 -1.65 0.06 0.00 -0.94 0.00 0.00 39.48 37.38 2roz n PHE 27 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2roz n GLU 28 N 1.66 2.69 -2.53 -1.08 0.00 -1.26 -4.91 120.64 115.21 2roz n GLU 28 Ca -0.04 -3.34 -0.03 0.00 0.00 0.00 0.00 57.16 53.75 2roz n GLU 28 Cb 0.29 -2.26 -0.03 0.00 0.00 0.00 0.00 31.44 29.44 2roz n GLU 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2roz n GLN 29 N -0.68 -3.82 -3.53 3.44 6.02 -1.26 -4.96 117.38 112.59 2roz n GLN 29 Ca 0.58 2.97 -0.41 0.00 -0.01 0.00 0.00 57.00 60.13 2roz n GLN 29 Cb 0.46 -4.82 -0.11 0.00 1.02 0.00 0.00 30.24 26.79 2roz n GLN 29 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2roz s MET 30 N -1.01 3.07 0.63 -1.09 -2.45 -1.26 -4.96 119.30 112.24 2roz s MET 30 Ca -0.16 -0.93 0.00 0.00 -1.25 0.00 0.00 55.69 53.34 2roz s MET 30 Cb 0.01 -3.84 0.00 0.00 1.25 0.00 0.00 34.83 32.26 2roz s MET 30 CO 0.72 -0.64 0.00 1.04 1.05 0.00 0.00 175.02 177.19 2roz n GLN 31 N 5.09 -3.74 0.00 4.11 1.13 -1.26 -5.26 117.38 117.45 2roz n GLN 31 Ca -0.12 3.00 0.00 0.00 -1.94 0.00 0.00 57.00 57.94 2roz n GLN 31 Cb 0.47 -4.06 0.00 0.00 0.11 0.00 0.00 30.24 26.76 2roz n GLN 31 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71