#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2obu n ALA 2 N 0.00 -2.90 -3.91 -3.48 0.00 -1.26 -2.79 120.51 106.18 2obu n ALA 2 Ca 0.00 -0.98 -0.29 0.00 0.00 0.00 0.00 53.44 52.17 2obu n ALA 2 Cb 0.00 -1.83 0.02 0.00 0.00 0.00 0.00 19.45 17.64 2obu n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2obu n GLU 3 N -3.16 -5.12 0.02 0.00 2.13 -1.26 -4.88 120.64 108.37 2obu n GLU 3 Ca 0.05 0.57 -0.05 0.00 0.66 0.00 0.00 57.16 58.39 2obu n GLU 3 Cb 0.56 -5.36 -0.11 0.00 0.27 0.00 0.00 31.44 26.81 2obu n GLU 3 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2obu h GLY 4 N -1.99 0.00 0.10 8.31 0.00 -1.97 -3.38 103.07 104.14 2obu h GLY 4 Ca -0.59 0.00 0.18 0.00 0.00 0.00 0.00 47.33 46.92 2obu h GLY 4 CO 0.66 0.00 0.50 0.00 0.00 0.00 0.00 176.54 177.70 2obu h THR 5 N 0.00 0.67 -0.10 4.70 1.03 -1.89 0.20 112.91 117.52 2obu h THR 5 Ca -0.17 -0.22 -0.19 0.00 -0.01 0.00 0.00 66.41 65.82 2obu h THR 5 Cb 1.80 -0.02 -0.00 0.00 -1.07 0.00 0.00 68.15 68.86 2obu h THR 5 CO 0.08 0.12 -0.74 2.19 -0.01 0.00 0.00 175.52 177.16 2obu h PHE 6 N 0.63 0.68 -0.20 0.00 -0.00 -1.99 -0.38 116.94 115.69 2obu h PHE 6 Ca 0.53 -0.30 -0.00 0.00 -0.00 0.00 0.00 57.97 58.19 2obu h PHE 6 Cb 0.83 -0.11 -0.01 0.00 -0.00 0.00 0.00 35.95 36.67 2obu h PHE 6 CO -0.07 1.08 0.12 0.82 -0.00 0.00 0.00 178.31 180.27 2obu h ILE 7 N 0.35 1.08 -0.16 0.88 1.08 -1.15 0.47 117.51 120.04 2obu h ILE 7 Ca -0.04 -0.19 0.02 0.00 -0.39 0.00 0.00 64.86 64.27 2obu h ILE 7 Cb 1.33 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 35.90 2obu h ILE 7 CO 0.13 0.08 0.03 -1.28 -0.69 0.00 0.00 178.15 176.42 2obu h SER 8 N 0.25 0.01 -0.78 1.72 0.87 -0.57 0.20 113.55 115.24 2obu h SER 8 Ca 0.07 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 2obu h SER 8 Cb 0.02 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 2obu h SER 8 CO -0.01 0.03 0.51 -0.78 -0.53 0.00 0.00 176.83 176.05 2obu h ASP 9 N 0.10 0.83 -0.03 6.23 3.58 -0.58 0.23 116.42 126.78 2obu h ASP 9 Ca 0.07 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.48 2obu h ASP 9 Cb 0.07 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2obu h ASP 9 CO -0.10 0.58 -0.12 0.22 -2.88 0.00 0.00 179.24 176.94 2obu h TYR 10 N 0.97 0.18 -0.33 0.28 5.03 0.82 0.25 116.97 124.18 2obu h TYR 10 Ca 0.31 -0.07 -0.03 0.00 2.58 0.00 0.00 58.73 61.51 2obu h TYR 10 Cb 0.03 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 2obu h TYR 10 CO -0.00 0.75 0.09 1.03 -1.32 0.00 0.00 178.16 178.71 2obu h SER 11 N -0.45 0.49 -0.33 -2.11 0.87 -0.50 0.12 113.55 111.65 2obu h SER 11 Ca -0.01 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.36 2obu h SER 11 Cb 0.76 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 2obu h SER 11 CO 0.02 0.58 0.16 0.40 -0.53 0.00 0.00 176.83 177.47 2obu h ILE 12 N 0.38 0.98 -0.82 2.23 1.08 -0.58 0.66 117.51 121.44 2obu h ILE 12 Ca 0.11 -0.11 0.08 0.00 -0.39 0.00 0.00 64.86 64.54 2obu h ILE 12 Cb 0.28 0.62 -0.07 0.00 -3.07 0.00 0.00 36.82 34.58 2obu h ILE 12 CO -0.00 0.06 0.48 0.00 -0.69 0.00 0.00 178.15 178.00 2obu h ALA 13 N 1.17 1.14 -0.11 1.87 0.00 0.05 0.58 119.26 123.96 2obu h ALA 13 Ca 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2obu h ALA 13 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2obu h ALA 13 CO -0.10 0.17 0.06 1.98 0.00 0.00 0.00 179.25 181.36 2obu h MET 14 N 0.85 0.16 -0.80 0.00 1.85 0.21 0.39 114.93 117.59 2obu h MET 14 Ca 0.37 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.44 2obu h MET 14 Cb 0.26 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.22 2obu h MET 14 CO -0.21 0.19 0.49 0.22 -0.40 0.00 0.00 176.91 177.21 2obu h ASP 15 N 0.08 0.95 0.11 1.39 3.58 0.26 -3.15 116.42 119.65 2obu h ASP 15 Ca 0.04 -0.05 -0.16 0.00 0.42 0.00 0.00 57.03 57.28 2obu h ASP 15 Cb 0.08 -0.24 0.02 0.00 1.72 0.00 0.00 39.33 40.91 2obu h ASP 15 CO -0.01 0.73 -0.68 0.50 -2.88 0.00 0.00 179.24 176.90 2obu h LYS 16 N 1.10 0.27 -0.80 0.28 1.63 0.50 -3.27 116.57 116.28 2obu h LYS 16 Ca 0.29 -0.44 0.18 0.00 -0.85 0.00 0.00 60.65 59.84 2obu h LYS 16 Cb -0.06 0.16 -0.14 0.00 -0.60 0.00 0.00 32.23 31.59 2obu h LYS 16 CO -0.06 1.19 -0.03 0.82 -3.45 0.00 0.00 179.45 177.93 2obu h ILE 17 N -0.43 0.27 -0.64 2.00 2.04 -0.20 0.57 117.51 121.12 2obu h ILE 17 Ca -0.12 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2obu h ILE 17 Cb 1.52 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2obu h ILE 17 CO 0.13 0.01 0.26 1.12 0.00 0.00 0.00 178.15 179.67 2obu h HIS 18 N 0.07 0.98 0.42 1.37 2.07 -1.65 0.24 115.15 118.66 2obu h HIS 18 Ca 0.44 -0.07 -0.02 0.00 -2.85 0.00 0.00 60.37 57.86 2obu h HIS 18 Cb 0.78 -0.29 0.00 0.00 2.57 0.00 0.00 27.41 30.47 2obu h HIS 18 CO -0.47 0.77 -0.20 0.37 -3.07 0.00 0.00 177.93 175.33 2obu h GLN 19 N 0.90 -0.54 -0.52 5.12 4.15 -0.29 0.13 115.11 124.06 2obu h GLN 19 Ca 0.21 0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.78 2obu h GLN 19 Cb 0.20 0.12 -0.09 0.00 0.21 0.00 0.00 27.48 27.92 2obu h GLN 19 CO -0.02 -0.29 -0.06 0.37 -1.93 0.00 0.00 178.83 176.90 2obu h GLN 20 N -0.69 0.06 -0.57 1.69 5.75 0.09 0.37 115.11 121.80 2obu h GLN 20 Ca -0.06 -0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 2obu h GLN 20 Cb 0.50 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 2obu h GLN 20 CO 0.09 0.04 0.32 0.22 -2.65 0.00 0.00 178.83 176.85 2obu h ASP 21 N 0.06 0.48 -0.46 -0.69 1.82 -0.31 0.20 116.42 117.53 2obu h ASP 21 Ca 0.26 0.02 -0.12 0.00 -0.39 0.00 0.00 57.03 56.80 2obu h ASP 21 Cb 0.40 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 2obu h ASP 21 CO -0.48 0.33 -0.19 0.15 -1.61 0.00 0.00 179.24 177.44 2obu h PHE 22 N 0.61 1.09 0.45 0.28 3.57 0.15 0.12 116.94 123.21 2obu h PHE 22 Ca 0.25 -0.25 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2obu h PHE 22 Cb 0.11 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.59 2obu h PHE 22 CO -0.08 1.05 -0.21 0.28 -2.23 0.00 0.00 178.31 177.12 2obu h VAL 23 N 0.84 0.22 -0.21 1.41 2.07 0.07 0.07 116.25 120.71 2obu h VAL 23 Ca 0.12 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.12 2obu h VAL 23 Cb 0.75 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2obu h VAL 23 CO 0.06 0.05 0.17 -0.55 0.02 0.00 0.00 177.57 177.31 2obu h ASN 24 N -1.08 0.00 0.14 0.57 7.08 -0.65 0.16 115.58 121.80 2obu h ASN 24 Ca -0.06 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.15 2obu h ASN 24 Cb 0.53 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.78 2obu h ASN 24 CO 0.10 0.00 -0.07 -0.25 -2.08 0.00 0.00 177.43 175.13 2obu h TRP 25 N 0.00 -0.18 -0.82 4.14 7.01 -0.64 0.23 115.95 125.70 2obu h TRP 25 Ca 0.10 -0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.22 2obu h TRP 25 Cb 0.44 0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 27.48 2obu h TRP 25 CO 0.00 0.10 0.43 -0.07 -2.79 0.00 0.00 178.44 176.11 2obu h LEU 26 N -0.45 0.56 -0.64 0.65 3.38 0.13 0.28 115.31 119.21 2obu h LEU 26 Ca -0.02 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2obu h LEU 26 Cb 0.36 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2obu h LEU 26 CO 0.03 0.28 0.18 -0.07 0.09 0.00 0.00 178.44 178.96 2obu h LEU 27 N 0.67 0.95 -1.78 1.67 3.38 -0.66 -1.26 115.31 118.27 2obu h LEU 27 Ca 0.42 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2obu h LEU 27 Cb 0.51 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2obu h LEU 27 CO -0.31 0.91 0.04 0.00 0.09 0.00 0.00 178.44 179.17 2obu h ALA 28 N 1.07 1.83 -0.19 1.53 0.00 0.16 0.26 119.26 123.92 2obu h ALA 28 Ca 0.20 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2obu h ALA 28 Cb 0.32 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2obu h ALA 28 CO -0.00 0.14 0.07 1.04 0.00 0.00 0.00 179.25 180.50 2obu n GLN 29 N -4.47 1.70 0.15 0.00 1.13 0.77 -3.95 117.38 112.72 2obu n GLN 29 Ca -0.01 -0.77 0.00 0.00 -1.94 0.00 0.00 57.00 54.28 2obu n GLN 29 Cb 0.12 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 28.94 2obu n GLN 29 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2obu n LYS 30 N 0.13 0.00 -0.40 -1.09 5.02 0.16 -4.32 118.16 117.66 2obu n LYS 30 Ca 0.10 0.00 0.39 0.00 -2.02 0.00 0.00 58.31 56.78 2obu n LYS 30 Cb 0.61 0.00 0.70 0.00 -0.02 0.00 0.00 35.03 36.33 2obu n LYS 30 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2obu h GLY 31 N 0.00 0.00 0.00 0.72 0.00 -0.82 -0.32 103.07 102.66 2obu h GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2obu h GLY 31 CO 0.00 0.00 -0.78 0.58 0.00 0.00 0.00 176.54 176.34 2obu n LYS 32 N -3.81 0.00 -0.32 4.80 0.00 -1.26 -4.21 118.16 113.36 2obu n LYS 32 Ca 0.30 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.70 2obu n LYS 32 Cb 1.54 -0.41 0.26 0.00 -0.00 0.00 0.00 35.03 36.42 2obu n LYS 32 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2obu h LYS 33 N 0.00 0.65 0.00 -1.58 3.11 -1.68 -0.66 116.57 116.41 2obu h LYS 33 Ca 0.00 -0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 57.75 2obu h LYS 33 Cb 0.78 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.85 2obu h LYS 33 CO 0.00 0.43 -0.65 -0.97 -2.81 0.00 0.00 179.45 175.45 2obu h ASN 34 N 0.67 0.00 0.39 4.20 -1.24 -1.24 -1.38 115.58 116.98 2obu h ASN 34 Ca 0.51 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.51 2obu h ASN 34 Cb 0.75 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.77 2obu h ASN 34 CO -0.37 0.22 -0.48 -0.78 -1.29 0.00 0.00 177.43 174.73 2obu h ASP 35 N 0.00 -1.35 0.96 1.15 1.82 -0.98 -2.89 116.42 115.14 2obu h ASP 35 Ca -0.03 0.12 -0.15 0.00 -0.39 0.00 0.00 57.03 56.58 2obu h ASP 35 Cb 1.20 0.46 -0.02 0.00 0.68 0.00 0.00 39.33 41.64 2obu h ASP 35 CO 0.02 -0.61 -0.71 4.11 -1.61 0.00 0.00 179.24 180.45 2obu h TRP 36 N -0.90 0.00 -6.47 0.28 5.08 -1.67 -3.47 115.95 108.81 2obu h TRP 36 Ca -0.05 0.00 -0.48 0.00 1.08 0.00 0.00 58.89 59.44 2obu h TRP 36 Cb 0.80 0.00 -0.21 0.00 -3.00 0.00 0.00 29.16 26.75 2obu h TRP 36 CO -0.29 0.71 -0.73 1.17 -1.28 0.00 0.00 178.44 178.02 2obu n LYS 37 N -3.48 -0.89 -0.14 0.12 3.00 -0.52 -4.81 118.16 111.44 2obu n LYS 37 Ca 0.00 0.08 -0.30 0.00 -0.00 0.00 0.00 58.31 58.10 2obu n LYS 37 Cb 0.75 -3.08 -0.10 0.00 0.00 0.00 0.00 35.03 32.60 2obu n LYS 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2obu n HIS 38 N -3.56 0.02 -0.43 5.64 -0.00 -1.26 -4.41 115.22 111.22 2obu n HIS 38 Ca -0.12 0.01 0.35 0.00 0.46 0.00 0.00 57.72 58.42 2obu n HIS 38 Cb 0.47 -1.00 0.64 0.00 -0.12 0.00 0.00 29.99 29.98 2obu n HIS 38 CO 0.00 0.00 0.00 -0.97 0.46 0.00 0.00 176.34 175.83 2obu h ASN 39 N -1.00 0.25 -1.91 0.26 -1.24 -1.89 -3.42 115.58 106.62 2obu h ASN 39 Ca -0.70 0.10 -0.63 0.00 0.71 0.00 0.00 56.30 55.78 2obu h ASN 39 Cb 1.61 0.08 0.11 0.00 0.73 0.00 0.00 38.32 40.86 2obu h ASN 39 CO -0.42 -0.10 -0.18 0.00 -1.29 0.00 0.00 177.43 175.44 2obu n ILE 40 N -4.58 1.96 -0.01 2.57 0.13 -1.26 -4.87 119.36 113.30 2obu n ILE 40 Ca 0.34 -0.50 -0.12 0.00 -1.10 0.00 0.00 62.75 61.37 2obu n ILE 40 Cb 1.35 -0.57 -0.08 0.00 -0.84 0.00 0.00 39.64 39.50 2obu n ILE 40 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2obu h THR 41 N 1.48 1.22 0.00 9.51 1.03 -1.97 -3.52 112.91 120.66 2obu h THR 41 Ca -0.35 -0.67 0.00 0.00 -0.01 0.00 0.00 66.41 65.38 2obu h THR 41 Cb 1.38 1.57 0.00 0.00 -1.07 0.00 0.00 68.15 70.04 2obu h THR 41 CO 0.58 0.18 0.00 0.00 -0.01 0.00 0.00 175.52 176.27