#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2obu s ALA 2 N 0.00 0.72 0.33 -3.48 0.00 -1.26 -4.71 121.76 113.36 2obu s ALA 2 Ca 0.00 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.63 2obu s ALA 2 Cb 0.00 -4.66 0.60 0.00 0.00 0.00 0.00 23.12 19.06 2obu s ALA 2 CO 0.00 -6.37 1.98 1.49 0.00 0.00 0.00 175.76 172.86 2obu h GLU 3 N 11.73 0.90 0.00 0.00 4.57 -2.08 -2.10 114.58 127.59 2obu h GLU 3 Ca 0.03 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2obu h GLU 3 Cb 0.99 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2obu h GLU 3 CO 1.04 0.59 0.42 0.78 -1.18 0.00 0.00 179.01 180.67 2obu h GLY 4 N 0.92 0.00 -0.62 1.92 0.00 -2.01 -2.69 103.07 100.59 2obu h GLY 4 Ca 0.28 0.00 0.34 0.00 0.00 0.00 0.00 47.33 47.95 2obu h GLY 4 CO -0.07 0.00 0.62 0.00 0.00 0.00 0.00 176.54 177.09 2obu h THR 5 N 0.00 0.26 -0.35 4.70 1.03 -1.77 0.51 112.91 117.29 2obu h THR 5 Ca 0.00 -0.09 -0.17 0.00 -0.01 0.00 0.00 66.41 66.14 2obu h THR 5 Cb 0.84 -0.02 -0.00 0.00 -1.07 0.00 0.00 68.15 67.89 2obu h THR 5 CO 0.00 0.05 -0.44 2.19 -0.01 0.00 0.00 175.52 177.30 2obu h PHE 6 N 0.27 1.13 -0.01 0.00 -5.15 -1.75 -0.46 116.94 110.96 2obu h PHE 6 Ca 0.75 -0.36 0.00 0.00 -0.20 0.00 0.00 57.97 58.16 2obu h PHE 6 Cb 1.86 -0.23 -0.00 0.00 0.22 0.00 0.00 35.95 37.80 2obu h PHE 6 CO -0.01 1.19 0.01 0.82 -2.00 0.00 0.00 178.31 178.32 2obu h ILE 7 N 0.74 1.01 -0.42 0.88 2.04 -0.34 0.29 117.51 121.71 2obu h ILE 7 Ca 0.04 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.94 2obu h ILE 7 Cb 1.05 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 2obu h ILE 7 CO 0.11 0.01 0.14 -1.28 0.00 0.00 0.00 178.15 177.13 2obu h SER 8 N 0.00 0.15 -0.89 1.72 0.87 -0.56 0.23 113.55 115.07 2obu h SER 8 Ca 0.00 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2obu h SER 8 Cb 0.01 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 2obu h SER 8 CO -0.00 0.12 0.55 -0.78 -0.53 0.00 0.00 176.83 176.19 2obu h ASP 9 N 0.31 1.06 -0.22 6.23 3.58 -0.59 0.20 116.42 126.99 2obu h ASP 9 Ca 0.19 -0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.51 2obu h ASP 9 Cb 0.18 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 40.96 2obu h ASP 9 CO -0.20 0.80 -0.19 0.22 -2.88 0.00 0.00 179.24 177.00 2obu h TYR 10 N 1.23 0.61 -0.28 0.28 3.20 0.88 0.18 116.97 123.06 2obu h TYR 10 Ca 0.32 -0.18 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 2obu h TYR 10 Cb -0.07 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 2obu h TYR 10 CO 0.00 0.84 -0.11 1.03 -1.64 0.00 0.00 178.16 178.29 2obu h SER 11 N 0.20 0.58 -0.06 -2.11 0.87 -0.43 -0.27 113.55 112.34 2obu h SER 11 Ca 0.04 -0.39 0.01 0.00 -1.23 0.00 0.00 61.79 60.22 2obu h SER 11 Cb 0.73 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 2obu h SER 11 CO 0.05 0.84 -0.02 0.40 -0.53 0.00 0.00 176.83 177.57 2obu h ILE 12 N 0.32 0.93 -0.32 2.23 2.04 -0.58 0.68 117.51 122.82 2obu h ILE 12 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.99 2obu h ILE 12 Cb 0.61 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 2obu h ILE 12 CO 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 178.15 178.11 2obu h ALA 13 N 1.05 0.22 -0.09 1.87 0.00 -0.48 0.54 119.26 122.37 2obu h ALA 13 Ca 0.03 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2obu h ALA 13 Cb 0.05 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2obu h ALA 13 CO -0.06 -0.46 -0.07 1.98 0.00 0.00 0.00 179.25 180.64 2obu h MET 14 N 0.01 -0.08 -0.82 0.00 1.85 -0.50 0.85 114.93 116.25 2obu h MET 14 Ca 0.15 0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.28 2obu h MET 14 Cb 0.23 0.02 -0.05 0.00 0.43 0.00 0.00 31.60 32.23 2obu h MET 14 CO -0.32 -0.05 0.54 0.22 -0.40 0.00 0.00 176.91 176.90 2obu h ASP 15 N -0.08 0.88 1.18 1.39 1.82 -0.11 -2.73 116.42 118.77 2obu h ASP 15 Ca 0.06 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2obu h ASP 15 Cb 0.17 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 39.98 2obu h ASP 15 CO -0.14 0.61 -0.58 0.50 -1.61 0.00 0.00 179.24 178.02 2obu h LYS 16 N 1.03 0.00 0.12 0.28 3.64 0.12 -3.30 116.57 118.45 2obu h LYS 16 Ca 0.32 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 2obu h LYS 16 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2obu h LYS 16 CO -0.09 0.00 -0.06 0.82 -2.27 0.00 0.00 179.45 177.85 2obu h ILE 17 N 0.00 1.08 -1.00 2.00 2.04 0.10 0.17 117.51 121.90 2obu h ILE 17 Ca 0.00 -1.07 0.12 0.00 1.00 0.00 0.00 64.86 64.91 2obu h ILE 17 Cb 0.88 1.72 -0.09 0.00 -0.74 0.00 0.00 36.82 38.59 2obu h ILE 17 CO 0.00 0.24 0.63 1.12 0.00 0.00 0.00 178.15 180.14 2obu h HIS 18 N -0.69 1.13 -0.06 1.37 2.07 -1.68 0.46 115.15 117.76 2obu h HIS 18 Ca -0.02 0.03 -0.00 0.00 -2.85 0.00 0.00 60.37 57.54 2obu h HIS 18 Cb 0.52 -0.36 -0.00 0.00 2.57 0.00 0.00 27.41 30.14 2obu h HIS 18 CO 0.08 0.44 0.04 0.37 -3.07 0.00 0.00 177.93 175.79 2obu h GLN 19 N 0.98 0.09 -0.00 5.12 4.15 -1.62 -0.89 115.11 122.94 2obu h GLN 19 Ca 0.50 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.91 2obu h GLN 19 Cb 0.50 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 2obu h GLN 19 CO -0.27 0.12 0.00 0.37 -1.93 0.00 0.00 178.83 177.13 2obu h GLN 20 N 0.03 0.01 -0.87 1.69 5.75 0.23 0.27 115.11 122.21 2obu h GLN 20 Ca 0.02 -0.00 0.17 0.00 -0.15 0.00 0.00 58.65 58.70 2obu h GLN 20 Cb 0.06 -0.00 -0.11 0.00 1.07 0.00 0.00 27.48 28.50 2obu h GLN 20 CO -0.00 0.05 0.42 0.22 -2.65 0.00 0.00 178.83 176.87 2obu h ASP 21 N -0.04 0.45 -0.23 -0.69 1.82 -0.20 0.24 116.42 117.78 2obu h ASP 21 Ca 0.00 0.11 -0.16 0.00 -0.39 0.00 0.00 57.03 56.60 2obu h ASP 21 Cb 0.05 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 2obu h ASP 21 CO -0.00 0.14 -0.45 0.15 -1.61 0.00 0.00 179.24 177.47 2obu h PHE 22 N 0.54 0.96 0.54 0.28 3.57 0.29 -1.01 116.94 122.11 2obu h PHE 22 Ca 0.50 -0.30 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 2obu h PHE 22 Cb 0.81 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.36 2obu h PHE 22 CO -0.11 1.09 -0.26 0.28 -2.23 0.00 0.00 178.31 177.08 2obu h VAL 23 N 0.63 0.12 -0.31 1.41 2.07 0.10 -0.53 116.25 119.74 2obu h VAL 23 Ca 0.04 -0.47 0.09 0.00 0.82 0.00 0.00 66.70 67.18 2obu h VAL 23 Cb 1.02 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2obu h VAL 23 CO 0.10 0.02 0.24 -0.55 0.02 0.00 0.00 177.57 177.40 2obu h ASN 24 N -1.15 0.00 0.21 0.57 7.08 -0.68 0.22 115.58 121.84 2obu h ASN 24 Ca -0.07 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.13 2obu h ASN 24 Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.84 2obu h ASN 24 CO 0.12 0.00 -0.10 -0.25 -2.08 0.00 0.00 177.43 175.12 2obu h TRP 25 N 0.00 -0.27 -0.96 4.14 7.01 -1.03 0.28 115.95 125.13 2obu h TRP 25 Ca 0.15 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.26 2obu h TRP 25 Cb 0.62 0.09 -0.09 0.00 -2.10 0.00 0.00 29.16 27.69 2obu h TRP 25 CO 0.00 -0.02 0.58 -0.07 -2.79 0.00 0.00 178.44 176.14 2obu h LEU 26 N -0.48 0.83 -0.45 0.65 3.38 0.10 0.60 115.31 119.95 2obu h LEU 26 Ca -0.03 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2obu h LEU 26 Cb 0.36 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2obu h LEU 26 CO 0.05 0.42 -0.02 -0.07 0.09 0.00 0.00 178.44 178.92 2obu h LEU 27 N 0.90 0.79 -0.49 1.67 3.38 -0.76 -2.44 115.31 118.37 2obu h LEU 27 Ca 0.49 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2obu h LEU 27 Cb 0.53 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2obu h LEU 27 CO -0.28 0.92 0.00 0.00 0.09 0.00 0.00 178.44 179.16 2obu n ALA 28 N -2.43 1.76 0.81 1.53 0.00 0.97 -0.01 120.51 123.14 2obu n ALA 28 Ca -0.00 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.62 2obu n ALA 28 Cb 0.31 -1.38 0.52 0.00 0.00 0.00 0.00 19.45 18.91 2obu n ALA 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2obu n GLN 29 N -2.11 0.11 0.07 0.00 1.13 0.19 -4.50 117.38 112.27 2obu n GLN 29 Ca 0.03 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 2obu n GLN 29 Cb 0.25 -1.63 0.00 0.00 0.11 0.00 0.00 30.24 28.97 2obu n GLN 29 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2obu n LYS 30 N -1.82 0.00 -0.18 -1.09 4.81 -0.79 -4.70 118.16 114.38 2obu n LYS 30 Ca 0.06 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.52 2obu n LYS 30 Cb 0.36 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.47 2obu n LYS 30 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2obu n GLY 31 N -0.21 -0.87 2.69 3.14 0.00 0.98 -2.79 105.19 108.14 2obu n GLY 31 Ca 0.00 0.53 -0.07 0.00 0.00 0.00 0.00 46.02 46.48 2obu n GLY 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2obu n LYS 32 N -4.78 1.21 -0.06 1.61 3.00 -1.26 -5.02 118.16 112.85 2obu n LYS 32 Ca 0.07 -2.15 -0.04 0.00 -0.00 0.00 0.00 58.31 56.18 2obu n LYS 32 Cb 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 35.03 34.92 2obu n LYS 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2obu n LYS 33 N -0.54 0.40 -0.11 1.64 0.00 -1.12 -1.57 118.16 116.87 2obu n LYS 33 Ca -0.01 0.46 0.19 0.00 0.00 0.00 0.00 58.31 58.95 2obu n LYS 33 Cb 0.84 -1.55 0.60 0.00 0.00 0.00 0.00 35.03 34.93 2obu n LYS 33 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2obu h ASN 34 N -0.88 0.20 0.00 3.14 2.35 -1.86 0.33 115.58 118.87 2obu h ASN 34 Ca 0.00 0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.60 2obu h ASN 34 Cb 0.50 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.85 2obu h ASN 34 CO 0.00 0.10 -0.65 -0.78 -1.65 0.00 0.00 177.43 174.44 2obu h ASP 35 N 0.21 0.57 -6.42 5.81 3.58 -1.93 -3.46 116.42 114.78 2obu h ASP 35 Ca 0.34 -0.77 -0.48 0.00 0.42 0.00 0.00 57.03 56.54 2obu h ASP 35 Cb 1.04 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 2obu h ASP 35 CO -0.07 1.26 -0.91 -2.67 -2.88 0.00 0.00 179.24 173.98 2obu n TRP 36 N -4.18 -1.72 -3.93 0.28 4.27 0.12 -2.56 117.44 109.72 2obu n TRP 36 Ca -0.11 0.63 -0.30 0.00 -3.89 0.00 0.00 57.50 53.84 2obu n TRP 36 Cb 0.70 -3.64 -0.02 0.00 -1.36 0.00 0.00 31.31 26.99 2obu n TRP 36 CO 0.00 0.00 0.00 0.36 -2.29 0.00 0.00 177.69 175.76 2obu n LYS 37 N -4.36 -0.62 0.17 -2.67 0.00 -1.26 -4.62 118.16 104.79 2obu n LYS 37 Ca -0.24 -0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.02 2obu n LYS 37 Cb 0.65 -1.88 0.00 0.00 -0.00 0.00 0.00 35.03 33.80 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 -3.81 -3.96 -0.20 5.58 -0.00 -1.06 -4.89 115.22 106.88 2obu n HIS 38 Ca -0.14 1.13 0.16 0.00 -0.00 0.00 0.00 57.72 58.87 2obu n HIS 38 Cb 0.44 2.90 0.49 0.00 -0.00 0.00 0.00 29.99 33.82 2obu n HIS 38 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.34 175.43 2obu h ASN 39 N 0.00 0.42 -1.19 0.26 2.35 -1.76 -3.41 115.58 112.24 2obu h ASN 39 Ca 0.00 0.03 -0.76 0.00 -0.55 0.00 0.00 56.30 55.02 2obu h ASN 39 Cb 0.00 -0.05 0.05 0.00 0.05 0.00 0.00 38.32 38.37 2obu h ASN 39 CO 0.00 0.21 0.15 0.00 -1.65 0.00 0.00 177.43 176.14 2obu n ILE 40 N -4.49 0.06 -2.68 2.81 3.06 -1.26 -4.91 119.36 111.95 2obu n ILE 40 Ca 0.16 -0.02 -0.23 0.00 -2.50 0.00 0.00 62.75 60.17 2obu n ILE 40 Cb 0.57 -0.23 0.03 0.00 0.54 0.00 0.00 39.64 40.55 2obu n ILE 40 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 2obu s THR 41 N 0.10 3.18 -2.22 9.51 -1.32 -1.26 -5.10 115.64 118.53 2obu s THR 41 Ca 0.88 -0.49 0.30 0.00 -1.21 0.00 0.00 61.69 61.18 2obu s THR 41 Cb -1.17 -3.21 0.75 0.00 -1.51 0.00 0.00 72.50 67.36 2obu s THR 41 CO 0.54 -0.17 2.02 0.00 -2.21 0.00 0.00 174.62 174.80