#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocz n HIS 2 N 0.00 0.64 -3.23 1.43 -0.00 -1.26 -4.89 115.22 107.91 1ocz n HIS 2 Ca 0.00 -1.24 -0.41 0.00 -0.00 0.00 0.00 57.72 56.06 1ocz n HIS 2 Cb 0.00 -0.61 -0.08 0.00 -0.00 0.00 0.00 29.99 29.30 1ocz n HIS 2 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1ocz s TYR 3 N -0.74 3.18 0.94 4.41 2.02 -1.26 -5.06 117.35 120.85 1ocz s TYR 3 Ca 0.13 0.20 -0.11 0.00 -0.37 0.00 0.00 57.07 56.92 1ocz s TYR 3 Cb 0.10 -2.93 0.16 0.00 -0.40 0.00 0.00 41.96 38.89 1ocz s TYR 3 CO 0.00 -0.54 1.12 -1.21 -1.57 0.00 0.00 175.55 173.36 1ocz s GLU 4 N 2.41 0.83 0.16 -0.62 0.41 -1.26 -5.05 118.70 115.57 1ocz s GLU 4 Ca 0.19 1.39 -0.03 0.00 -0.41 0.00 0.00 54.97 56.11 1ocz s GLU 4 Cb -0.15 -1.72 -0.03 0.00 -1.78 0.00 0.00 34.13 30.45 1ocz s GLU 4 CO 0.13 -2.71 0.14 -1.21 -0.49 0.00 0.00 175.26 171.12 1ocz s GLU 5 N -4.65 1.07 0.00 1.61 2.02 -1.26 -4.78 118.70 112.71 1ocz s GLU 5 Ca 0.66 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1ocz s GLU 5 Cb -0.22 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.29 1ocz s GLU 5 CO 0.59 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.94 1ocz n GLY 6 N -0.18 0.42 3.56 -1.39 0.00 -1.26 -4.72 105.19 101.63 1ocz n GLY 6 Ca -0.04 -1.94 -0.55 0.00 0.00 0.00 0.00 46.02 43.49 1ocz n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ocz n PRO 7 N 0.56 0.68 -1.02 1.61 -0.02 -1.26 -1.36 135.00 134.19 1ocz n PRO 7 Ca 0.00 0.24 -0.01 0.00 -2.02 0.00 0.00 63.50 61.72 1ocz n PRO 7 Cb 0.00 -1.83 -0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1ocz n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ocz n GLY 8 N 2.22 0.39 0.00 -1.23 0.00 -1.26 -4.82 105.19 100.48 1ocz n GLY 8 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ocz n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ocz n LYS 9 N -1.79 2.03 -0.85 1.61 5.02 -0.46 -4.61 118.16 119.11 1ocz n LYS 9 Ca -0.01 -0.25 -0.03 0.00 -2.02 0.00 0.00 58.31 56.01 1ocz n LYS 9 Cb 0.17 -0.72 0.27 0.00 -0.02 0.00 0.00 35.03 34.73 1ocz n LYS 9 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1ocz n ASN 10 N -0.36 4.10 -4.13 4.39 6.94 -1.24 -4.70 115.26 120.26 1ocz n ASN 10 Ca 0.00 -3.30 -0.18 0.00 -0.02 0.00 0.00 54.58 51.07 1ocz n ASN 10 Cb 0.02 -0.68 -0.13 0.00 -2.36 0.00 0.00 39.78 36.63 1ocz n ASN 10 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1ocz s ILE 11 N -3.02 1.01 -2.00 1.53 -4.36 -1.26 -5.05 121.20 108.05 1ocz s ILE 11 Ca 0.50 -1.06 0.18 0.00 -0.26 0.00 0.00 60.65 60.02 1ocz s ILE 11 Cb 0.41 -0.95 0.52 0.00 1.25 0.00 0.00 42.46 43.70 1ocz s ILE 11 CO 0.10 -0.10 1.51 -0.81 0.24 0.00 0.00 174.94 175.88 1ocz n PRO 12 N 1.73 0.67 -4.33 0.37 -0.04 -1.26 -4.78 135.00 127.36 1ocz n PRO 12 Ca -0.19 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.03 1ocz n PRO 12 Cb 0.55 -1.43 -0.13 0.00 -0.04 0.00 0.00 33.50 32.45 1ocz n PRO 12 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ocz s PHE 13 N -2.00 1.74 0.17 0.54 -0.71 -1.26 -5.12 117.98 111.33 1ocz s PHE 13 Ca 0.27 -0.41 -0.30 0.00 -1.04 0.00 0.00 56.93 55.45 1ocz s PHE 13 Cb 0.13 -0.97 -0.08 0.00 -1.21 0.00 0.00 43.02 40.89 1ocz s PHE 13 CO 0.21 0.17 1.28 0.45 -1.34 0.00 0.00 175.22 175.99 1ocz s SER 14 N -1.77 6.96 -0.11 1.98 0.15 -1.26 -4.94 113.70 114.70 1ocz s SER 14 Ca 0.06 2.30 0.15 0.00 0.70 0.00 0.00 55.95 59.16 1ocz s SER 14 Cb -0.10 -2.60 0.32 0.00 -1.71 0.00 0.00 66.02 61.93 1ocz s SER 14 CO 0.04 -0.49 1.22 0.55 1.20 0.00 0.00 173.24 175.75 1ocz n VAL 15 N 2.90 1.81 -0.09 4.45 3.14 -1.26 -4.70 118.33 124.57 1ocz n VAL 15 Ca 0.07 -1.87 -0.07 0.00 -2.96 0.00 0.00 64.34 59.51 1ocz n VAL 15 Cb 0.44 -0.08 0.10 0.00 -1.06 0.00 0.00 33.84 33.24 1ocz n VAL 15 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1ocz h GLU 16 N 0.71 0.79 -4.90 1.45 4.39 -1.92 -3.42 114.58 111.68 1ocz h GLU 16 Ca 0.00 -0.29 -0.66 0.00 0.34 0.00 0.00 59.36 58.75 1ocz h GLU 16 Cb 1.04 -0.05 -0.36 0.00 -0.10 0.00 0.00 28.75 29.28 1ocz h GLU 16 CO 0.07 0.90 -0.83 1.21 -1.16 0.00 0.00 179.01 179.20 1ocz s ASN 17 N -6.72 3.77 0.56 1.42 3.84 -1.26 -4.99 114.94 111.55 1ocz s ASN 17 Ca -0.09 -1.03 0.28 0.00 0.21 0.00 0.00 52.86 52.23 1ocz s ASN 17 Cb 0.13 -1.48 1.47 0.00 -0.55 0.00 0.00 41.25 40.83 1ocz s ASN 17 CO 0.83 -0.11 1.95 0.07 -2.79 0.00 0.00 177.10 177.05 1ocz h LYS 18 N 7.87 0.00 0.08 0.43 2.10 -1.97 -0.64 116.57 124.44 1ocz h LYS 18 Ca -0.31 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.05 1ocz h LYS 18 Cb 1.09 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.40 1ocz h LYS 18 CO 0.53 0.00 -1.52 -1.49 -2.00 0.00 0.00 179.45 174.97 1ocz h TRP 19 N 0.00 0.31 -0.16 0.07 4.06 -1.98 -2.34 115.95 115.92 1ocz h TRP 19 Ca 0.26 -0.23 -0.10 0.00 2.06 0.00 0.00 58.89 60.87 1ocz h TRP 19 Cb 1.15 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.29 1ocz h TRP 19 CO 0.00 1.29 -0.35 -0.09 -3.56 0.00 0.00 178.44 175.72 1ocz h ARG 20 N 0.05 0.34 -0.12 0.49 2.43 -1.57 -2.34 114.38 113.67 1ocz h ARG 20 Ca -0.23 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 58.77 1ocz h ARG 20 Cb 1.98 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.52 1ocz h ARG 20 CO 0.14 0.66 0.00 1.25 -1.51 0.00 0.00 179.97 180.51 1ocz h LEU 21 N 0.29 0.20 -1.44 3.80 5.85 -1.42 -1.13 115.31 121.46 1ocz h LEU 21 Ca 0.03 -0.30 0.26 0.00 0.84 0.00 0.00 57.88 58.72 1ocz h LEU 21 Cb 0.77 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.66 1ocz h LEU 21 CO 0.06 0.45 0.67 0.25 -0.34 0.00 0.00 178.44 179.54 1ocz h LEU 22 N -0.05 0.40 0.12 2.25 6.46 -0.89 0.36 115.31 123.95 1ocz h LEU 22 Ca 0.03 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1ocz h LEU 22 Cb 0.35 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1ocz h LEU 22 CO 0.01 0.09 -0.06 0.00 -0.62 0.00 0.00 178.44 177.86 1ocz h ALA 23 N 1.60 -0.16 -0.40 1.25 0.00 -1.07 -1.99 119.26 118.50 1ocz h ALA 23 Ca 0.57 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.30 1ocz h ALA 23 Cb 1.53 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 1ocz h ALA 23 CO -0.25 -0.25 0.04 0.52 0.00 0.00 0.00 179.25 179.31 1ocz h MET 24 N -0.85 0.15 -0.68 0.00 2.86 0.19 -0.82 114.93 115.78 1ocz h MET 24 Ca -0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1ocz h MET 24 Cb 0.55 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1ocz h MET 24 CO 0.03 0.10 0.39 0.52 1.06 0.00 0.00 176.91 179.01 1ocz h MET 25 N 0.15 0.93 -0.61 1.72 2.07 -0.46 -1.04 114.93 117.69 1ocz h MET 25 Ca 0.19 -0.09 -0.02 0.00 -2.07 0.00 0.00 59.70 57.71 1ocz h MET 25 Cb 0.26 -0.19 -0.03 0.00 -1.87 0.00 0.00 31.60 29.77 1ocz h MET 25 CO -0.29 0.68 0.32 1.15 1.07 0.00 0.00 176.91 179.84 1ocz h THR 26 N 0.92 1.20 -0.54 2.22 2.02 -0.75 -1.72 112.91 116.25 1ocz h THR 26 Ca 0.24 -0.53 -0.11 0.00 0.77 0.00 0.00 66.41 66.77 1ocz h THR 26 Cb -0.00 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1ocz h THR 26 CO -0.04 0.22 -0.11 -0.07 0.37 0.00 0.00 175.52 175.90 1ocz h LEU 27 N 0.84 1.04 0.14 2.58 4.07 -0.82 0.24 115.31 123.40 1ocz h LEU 27 Ca 0.21 -0.35 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 1ocz h LEU 27 Cb 0.07 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.53 1ocz h LEU 27 CO -0.03 1.14 -0.07 0.15 -1.08 0.00 0.00 178.44 178.55 1ocz h PHE 28 N 0.91 -0.18 0.00 1.13 3.57 -0.87 -0.14 116.94 121.36 1ocz h PHE 28 Ca 0.14 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1ocz h PHE 28 Cb 0.68 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1ocz h PHE 28 CO 0.05 -0.11 -0.28 0.74 -2.23 0.00 0.00 178.31 176.48 1ocz h PHE 29 N -0.19 0.00 0.46 0.41 0.04 -1.42 -2.80 116.94 113.44 1ocz h PHE 29 Ca -0.02 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1ocz h PHE 29 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1ocz h PHE 29 CO 0.20 0.28 -0.22 0.78 -0.60 0.00 0.00 178.31 178.74 1ocz h GLY 30 N 1.42 -0.64 1.54 -1.45 0.00 -0.44 -2.01 103.07 101.49 1ocz h GLY 30 Ca -0.00 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.57 1ocz h GLY 30 CO 0.04 -0.23 0.30 1.48 0.00 0.00 0.00 176.54 178.12 1ocz h SER 31 N -0.64 0.50 0.59 0.19 4.64 -0.91 -1.28 113.55 116.64 1ocz h SER 31 Ca -0.06 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 1ocz h SER 31 Cb 0.48 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1ocz h SER 31 CO 0.10 0.36 -0.31 1.23 -0.87 0.00 0.00 176.83 177.34 1ocz h GLY 32 N 0.59 -0.88 1.47 -0.77 0.00 -1.22 -2.06 103.07 100.20 1ocz h GLY 32 Ca 0.17 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.81 1ocz h GLY 32 CO -0.04 -0.32 0.16 -2.75 0.00 0.00 0.00 176.54 173.59 1ocz h PHE 33 N -0.83 0.69 -0.02 5.60 3.57 -0.73 -3.15 116.94 122.07 1ocz h PHE 33 Ca -0.08 -0.04 -0.23 0.00 3.53 0.00 0.00 57.97 61.16 1ocz h PHE 33 Cb 0.66 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 39.19 1ocz h PHE 33 CO -0.06 0.56 -0.93 0.00 -2.23 0.00 0.00 178.31 175.65 1ocz h ALA 34 N 1.50 0.34 -0.86 2.41 0.00 -1.15 -3.37 119.26 118.13 1ocz h ALA 34 Ca 0.16 -0.69 0.13 0.00 0.00 0.00 0.00 54.91 54.51 1ocz h ALA 34 Cb 0.19 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.83 1ocz h ALA 34 CO -0.01 0.78 -0.39 0.00 0.00 0.00 0.00 179.25 179.62 1ocz h ALA 35 N 0.68 0.03 -1.01 0.00 0.00 -1.33 0.63 119.26 118.27 1ocz h ALA 35 Ca -0.08 0.23 0.13 0.00 0.00 0.00 0.00 54.91 55.18 1ocz h ALA 35 Cb 1.56 0.97 -0.09 0.00 0.00 0.00 0.00 17.79 20.24 1ocz h ALA 35 CO 0.17 -0.67 0.63 -1.35 0.00 0.00 0.00 179.25 178.03 1ocz h PRO 36 N -0.06 0.94 -0.01 0.00 0.11 -1.75 -0.75 132.00 130.48 1ocz h PRO 36 Ca 0.30 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1ocz h PRO 36 Cb 0.57 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 1ocz h PRO 36 CO -0.89 0.62 0.00 0.74 -0.21 0.00 0.00 178.00 178.27 1ocz h PHE 37 N 0.97 0.00 0.00 0.65 0.04 -1.10 -1.72 116.94 115.78 1ocz h PHE 37 Ca 0.51 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.25 1ocz h PHE 37 Cb 0.53 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.68 1ocz h PHE 37 CO -0.00 0.00 -0.11 0.74 -0.60 0.00 0.00 178.31 178.33 1ocz h PHE 38 N 0.00 0.00 -0.16 -0.55 0.04 -0.82 -1.05 116.94 114.41 1ocz h PHE 38 Ca 0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1ocz h PHE 38 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 1ocz h PHE 38 CO -0.08 0.11 -0.19 0.82 -0.60 0.00 0.00 178.31 178.37 1ocz h ILE 39 N 0.00 1.35 -0.79 -0.55 2.04 -0.55 -0.51 117.51 118.49 1ocz h ILE 39 Ca -0.00 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 1ocz h ILE 39 Cb 0.43 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 1ocz h ILE 39 CO 0.01 0.41 0.39 0.58 0.00 0.00 0.00 178.15 179.55 1ocz h VAL 40 N 0.04 1.24 -0.06 1.67 2.07 -0.66 -0.92 116.25 119.62 1ocz h VAL 40 Ca 0.02 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1ocz h VAL 40 Cb 0.75 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1ocz h VAL 40 CO 0.05 0.29 0.04 -0.09 0.02 0.00 0.00 177.57 177.87 1ocz h ARG 41 N 1.12 0.08 -0.42 1.57 2.43 -1.11 0.29 114.38 118.34 1ocz h ARG 41 Ca 0.27 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.52 1ocz h ARG 41 Cb 0.09 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.54 1ocz h ARG 41 CO -0.04 0.10 -0.13 1.25 -1.51 0.00 0.00 179.97 179.64 1ocz h HIS 42 N 0.04 -0.30 -0.03 2.20 2.76 -0.37 0.13 115.15 119.58 1ocz h HIS 42 Ca 0.02 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1ocz h HIS 42 Cb 0.04 0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 1ocz h HIS 42 CO -0.06 -0.21 0.02 1.96 -1.30 0.00 0.00 177.93 178.33 1ocz h GLN 43 N -0.04 0.05 -0.55 5.26 1.08 -0.99 -2.79 115.11 117.13 1ocz h GLN 43 Ca 0.20 -0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.51 1ocz h GLN 43 Cb 0.35 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 1ocz h GLN 43 CO -0.45 0.12 0.38 -0.07 -0.95 0.00 0.00 178.83 177.85 1ocz h LEU 44 N -0.04 0.23 -4.70 1.46 4.07 0.40 -2.60 115.31 114.13 1ocz h LEU 44 Ca 0.01 0.01 -0.55 0.00 0.08 0.00 0.00 57.88 57.43 1ocz h LEU 44 Cb 0.08 -0.04 -0.18 0.00 1.08 0.00 0.00 40.66 41.60 1ocz h LEU 44 CO -0.00 0.13 0.64 0.18 -1.08 0.00 0.00 178.44 178.31 1ocz n LEU 45 N -4.45 6.73 -3.84 1.67 4.77 0.34 -4.91 117.00 117.31 1ocz n LEU 45 Ca 0.09 -4.24 -0.12 0.00 -0.03 0.00 0.00 56.01 51.72 1ocz n LEU 45 Cb 0.44 -1.23 -0.11 0.00 -2.33 0.00 0.00 43.42 40.19 1ocz n LEU 45 CO 0.35 1.77 -0.18 -0.54 -1.33 0.00 0.00 177.39 177.46 1ocz s LYS 46 N -1.96 0.33 0.00 3.23 1.02 -0.98 -4.98 119.74 116.40 1ocz s LYS 46 Ca 0.58 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.50 1ocz s LYS 46 Cb 0.37 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.83 1ocz s LYS 46 CO -0.23 -0.07 0.00 1.17 -0.92 0.00 0.00 175.35 175.30