#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 2.40 -0.18 2.24 0.00 -1.26 -4.93 121.76 120.03 2roz s ALA 2 Ca 0.00 -2.29 -0.09 0.00 0.00 0.00 0.00 51.96 49.57 2roz s ALA 2 Cb 0.00 -1.86 0.04 0.00 0.00 0.00 0.00 23.12 21.30 2roz s ALA 2 CO 0.00 -1.73 0.19 0.00 0.00 0.00 0.00 175.76 174.22 2roz n ALA 3 N 4.33 -3.62 -1.98 0.00 0.00 -1.26 -5.00 120.51 112.98 2roz n ALA 3 Ca 0.02 1.90 -0.28 0.00 0.00 0.00 0.00 53.44 55.08 2roz n ALA 3 Cb 0.41 -3.71 0.05 0.00 0.00 0.00 0.00 19.45 16.19 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 -0.72 3.22 0.52 0.00 0.11 -1.26 -4.99 120.40 117.27 2roz s VAL 4 Ca -0.22 0.10 -0.18 0.00 -2.93 0.00 0.00 61.98 58.76 2roz s VAL 4 Cb 0.01 -3.34 -0.14 0.00 -1.53 0.00 0.00 36.38 31.38 2roz s VAL 4 CO 0.70 -0.40 0.01 0.35 -3.33 0.00 0.00 175.10 172.44 2roz n THR 5 N -2.84 0.47 1.01 5.04 -2.24 -1.26 -4.71 114.28 109.75 2roz n THR 5 Ca 0.06 -0.50 0.11 0.00 -2.27 0.00 0.00 64.05 61.45 2roz n THR 5 Cb 0.58 -0.14 0.55 0.00 -2.10 0.00 0.00 70.33 69.22 2roz n THR 5 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2roz n PRO 6 N 1.18 0.26 -0.09 -0.78 -0.04 -1.26 -2.25 135.00 132.03 2roz n PRO 6 Ca 0.09 0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.51 2roz n PRO 6 Cb 0.47 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 2roz n PRO 6 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2roz n GLU 7 N -1.33 0.68 0.00 0.54 4.07 -1.26 -4.21 120.64 119.13 2roz n GLU 7 Ca 0.10 0.07 -0.12 0.00 -0.06 0.00 0.00 57.16 57.15 2roz n GLU 7 Cb 0.20 -1.57 -0.10 0.00 -0.06 0.00 0.00 31.44 29.91 2roz n GLU 7 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2roz h GLU 8 N 0.00 -0.09 -1.24 5.31 4.57 -1.85 -3.13 114.58 118.16 2roz h GLU 8 Ca -0.51 0.01 0.36 0.00 -1.18 0.00 0.00 59.36 58.03 2roz h GLU 8 Cb 2.15 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 30.68 2roz h GLU 8 CO 0.02 0.48 0.86 0.07 -1.18 0.00 0.00 179.01 179.26 2roz h ARG 9 N -0.75 0.12 -0.44 1.92 -0.00 -1.68 1.38 114.38 114.93 2roz h ARG 9 Ca -0.01 -0.01 -0.10 0.00 -0.00 0.00 0.00 59.98 59.86 2roz h ARG 9 Cb 0.60 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.54 2roz h ARG 9 CO 0.01 0.08 -0.11 1.25 -0.00 0.00 0.00 179.97 181.20 2roz h HIS 10 N 0.12 0.96 0.06 4.08 2.76 -1.72 -2.50 115.15 118.90 2roz h HIS 10 Ca 0.64 -0.21 -0.00 0.00 -2.20 0.00 0.00 60.37 58.60 2roz h HIS 10 Cb 2.25 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 30.98 2roz h HIS 10 CO -0.00 0.96 -0.03 -0.07 -1.30 0.00 0.00 177.93 177.49 2roz h LEU 11 N 0.68 -0.06 -1.92 0.26 3.38 0.13 -3.26 115.31 114.52 2roz h LEU 11 Ca 0.11 -0.20 0.56 0.00 0.09 0.00 0.00 57.88 58.44 2roz h LEU 11 Cb 0.65 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 2roz h LEU 11 CO 0.04 0.52 1.37 -0.24 0.09 0.00 0.00 178.44 180.23 2roz n SER 12 N -4.80 0.01 0.34 -0.43 2.88 0.38 0.11 113.62 112.12 2roz n SER 12 Ca -0.03 1.00 -0.14 0.00 -1.33 0.00 0.00 58.87 58.37 2roz n SER 12 Cb 0.13 -0.50 -0.07 0.00 -0.75 0.00 0.00 64.21 63.02 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 -0.87 0.00 -1.46 3.64 -1.49 -3.12 116.57 113.27 2roz h LYS 13 Ca 0.93 0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 60.32 2roz h LYS 13 Cb 3.67 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 35.68 2roz h LYS 13 CO -0.04 -0.58 -0.22 0.52 -2.27 0.00 0.00 179.45 176.86 2roz h MET 14 N -1.17 0.00 -0.94 1.90 2.86 0.45 1.67 114.93 119.71 2roz h MET 14 Ca -0.09 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 57.81 2roz h MET 14 Cb 0.69 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.21 2roz h MET 14 CO 0.15 0.22 0.40 1.96 1.06 0.00 0.00 176.91 180.70 2roz h GLN 15 N 0.00 0.29 0.00 1.72 4.20 0.91 -0.82 115.11 121.41 2roz h GLN 15 Ca -0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2roz h GLN 15 Cb 0.53 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2roz h GLN 15 CO 0.03 0.19 -0.52 0.00 -0.67 0.00 0.00 178.83 177.86 2roz n GLN 16 N -5.12 0.00 0.03 1.46 -0.00 -1.11 -4.71 117.38 107.93 2roz n GLN 16 Ca 0.26 0.00 0.09 0.00 -0.00 0.00 0.00 57.00 57.35 2roz n GLN 16 Cb 0.80 -0.65 0.40 0.00 -0.00 0.00 0.00 30.24 30.79 2roz n GLN 16 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2roz n ASN 17 N -2.19 0.15 -0.00 2.61 2.85 0.56 -4.95 115.26 114.29 2roz n ASN 17 Ca 0.00 0.53 0.00 0.00 -0.11 0.00 0.00 54.58 55.00 2roz n ASN 17 Cb 0.26 -0.56 0.00 0.00 1.24 0.00 0.00 39.78 40.72 2roz n ASN 17 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2roz n GLY 18 N 0.32 0.44 3.10 8.20 0.00 -0.31 -4.77 105.19 112.16 2roz n GLY 18 Ca 0.04 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.37 -0.12 1.61 6.14 -1.26 -4.23 117.35 119.12 2roz s TYR 19 Ca 0.00 0.86 -0.01 0.00 0.64 0.00 0.00 57.07 58.56 2roz s TYR 19 Cb 0.00 0.09 -0.02 0.00 0.42 0.00 0.00 41.96 42.44 2roz s TYR 19 CO 0.00 -0.24 -0.08 -2.00 0.64 0.00 0.00 175.55 173.87 2roz s GLU 20 N 1.17 3.29 -0.19 4.97 2.12 -1.26 -5.09 118.70 123.71 2roz s GLU 20 Ca -0.08 -0.59 -0.21 0.00 0.36 0.00 0.00 54.97 54.44 2roz s GLU 20 Cb -0.09 -2.71 -0.02 0.00 0.26 0.00 0.00 34.13 31.56 2roz s GLU 20 CO -0.08 0.36 0.64 1.21 -0.54 0.00 0.00 175.26 176.84 2roz s ASN 21 N 0.02 6.71 0.15 -1.70 2.47 -1.26 -4.95 114.94 116.38 2roz s ASN 21 Ca -0.02 0.86 -0.03 0.00 0.42 0.00 0.00 52.86 54.10 2roz s ASN 21 Cb -0.14 -2.35 -0.03 0.00 -1.45 0.00 0.00 41.25 37.28 2roz s ASN 21 CO 0.03 -0.27 1.36 1.55 -3.72 0.00 0.00 177.10 176.05 2roz h PRO 22 N 7.44 0.39 -0.78 0.43 0.13 -2.08 -3.23 132.00 134.29 2roz h PRO 22 Ca -0.32 -0.38 0.18 0.00 -0.87 0.00 0.00 66.00 64.62 2roz h PRO 22 Cb 1.14 0.10 -0.12 0.00 0.13 0.00 0.00 31.00 32.25 2roz h PRO 22 CO 0.78 1.04 0.16 0.00 -0.23 0.00 0.00 178.00 179.74 2roz h THR 23 N 0.24 0.42 -1.81 1.56 1.03 -2.07 -3.41 112.91 108.86 2roz h THR 23 Ca -0.06 -0.07 -0.64 0.00 -0.01 0.00 0.00 66.41 65.63 2roz h THR 23 Cb 1.47 0.18 0.10 0.00 -1.07 0.00 0.00 68.15 68.83 2roz h THR 23 CO 0.15 0.04 -0.08 0.00 -0.01 0.00 0.00 175.52 175.62 2roz n TYR 24 N -5.22 0.64 -3.03 0.00 9.36 -1.22 -4.95 117.16 112.75 2roz n TYR 24 Ca 0.16 0.81 -0.16 0.00 3.32 0.00 0.00 57.90 62.03 2roz n TYR 24 Cb 0.53 -2.15 -0.03 0.00 -0.63 0.00 0.00 39.34 37.06 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 1.02 0.54 -0.98 2.98 4.81 -1.26 -5.00 118.16 120.27 2roz n LYS 25 Ca 0.14 -2.55 -0.13 0.00 -0.87 0.00 0.00 58.31 54.90 2roz n LYS 25 Cb 0.27 -1.46 -0.09 0.00 0.02 0.00 0.00 35.03 33.77 2roz n LYS 25 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 2roz n PHE 26 N 2.26 0.47 -3.04 5.64 -1.74 -1.26 -4.83 117.46 114.97 2roz n PHE 26 Ca 0.20 -1.53 -0.00 0.00 -0.56 0.00 0.00 57.45 55.56 2roz n PHE 26 Cb 0.55 -1.25 -0.00 0.00 1.52 0.00 0.00 39.48 40.29 2roz n PHE 26 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 2roz n PHE 27 N 1.74 -1.09 -0.01 2.97 3.72 -1.26 -4.86 117.46 118.67 2roz n PHE 27 Ca 0.34 0.52 -0.04 0.00 -0.05 0.00 0.00 57.45 58.21 2roz n PHE 27 Cb 0.72 -1.79 -0.03 0.00 -0.94 0.00 0.00 39.48 37.44 2roz n PHE 27 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2roz h GLU 28 N 3.74 -0.15 -5.78 -1.08 5.08 -2.00 -3.47 114.58 110.93 2roz h GLU 28 Ca -0.03 0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2roz h GLU 28 Cb 0.66 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2roz h GLU 28 CO 0.02 -0.10 -0.54 0.94 -1.00 0.00 0.00 179.01 178.33 2roz n GLN 29 N -3.43 -1.77 -4.70 2.33 7.27 -1.26 -4.99 117.38 110.83 2roz n GLN 29 Ca -0.02 1.54 -0.33 0.00 0.07 0.00 0.00 57.00 58.26 2roz n GLN 29 Cb 0.11 -4.53 -0.13 0.00 2.41 0.00 0.00 30.24 28.10 2roz n GLN 29 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 2roz s MET 30 N -3.16 3.07 -0.27 3.69 1.75 -1.26 -5.10 119.30 118.01 2roz s MET 30 Ca 0.13 -0.62 -0.23 0.00 -1.25 0.00 0.00 55.69 53.72 2roz s MET 30 Cb -0.03 -2.61 0.08 0.00 2.84 0.00 0.00 34.83 35.11 2roz s MET 30 CO 0.80 0.43 0.74 1.14 -0.65 0.00 0.00 175.02 177.49 2roz s GLN 31 N -0.20 0.79 0.00 4.11 0.00 -1.26 -5.33 119.66 117.76 2roz s GLN 31 Ca 0.02 1.01 0.00 0.00 -0.00 0.00 0.00 55.36 56.38 2roz s GLN 31 Cb -0.13 0.35 0.00 0.00 0.00 0.00 0.00 33.01 33.23 2roz s GLN 31 CO 0.03 -0.11 0.00 -1.71 0.00 0.00 0.00 175.29 173.50