#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kix n LEU 2 N 0.00 0.00 -0.01 4.03 0.00 -1.26 -4.51 117.00 115.25 2kix n LEU 2 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 56.01 55.84 2kix n LEU 2 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 2kix n LEU 2 CO 0.00 0.00 0.31 -0.33 0.00 0.00 0.00 177.39 177.37 2kix h GLU 3 N 0.00 0.49 -0.00 1.96 5.08 -2.03 -2.99 114.58 117.09 2kix h GLU 3 Ca 0.00 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2kix h GLU 3 Cb 0.00 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2kix h GLU 3 CO 0.00 1.09 -0.86 -0.35 -1.00 0.00 0.00 179.01 177.89 2kix n PRO 4 N -4.20 0.59 -0.01 2.33 -0.04 -1.26 -4.38 135.00 128.02 2kix n PRO 4 Ca -0.09 -0.14 -0.03 0.00 -0.04 0.00 0.00 63.50 63.20 2kix n PRO 4 Cb 0.65 -1.43 -0.01 0.00 -0.04 0.00 0.00 33.50 32.66 2kix n PRO 4 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2kix n PHE 5 N -1.26 0.00 0.08 0.54 7.35 -1.25 -4.40 117.46 118.53 2kix n PHE 5 Ca 0.04 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.94 2kix n PHE 5 Cb 0.33 -0.16 0.74 0.00 0.35 0.00 0.00 39.48 40.74 2kix n PHE 5 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 2kix h GLN 6 N -0.33 0.00 0.00 -4.13 4.15 -1.82 1.01 115.11 113.99 2kix h GLN 6 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2kix h GLN 6 Cb 0.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 2kix h GLN 6 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 178.83 177.87 2kix h ILE 7 N 0.00 0.00 0.02 2.39 2.10 -1.76 -2.76 117.51 117.50 2kix h ILE 7 Ca 0.20 -0.69 -0.11 0.00 1.08 0.00 0.00 64.86 65.34 2kix h ILE 7 Cb 1.10 1.68 -0.01 0.00 -1.09 0.00 0.00 36.82 38.50 2kix h ILE 7 CO -0.00 0.00 -0.57 0.25 -1.08 0.00 0.00 178.15 176.75 2kix h LEU 8 N 0.00 0.08 -0.00 2.19 6.46 0.85 -2.32 115.31 122.57 2kix h LEU 8 Ca 0.00 -0.84 0.02 0.00 -0.12 0.00 0.00 57.88 56.94 2kix h LEU 8 Cb 0.71 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 2kix h LEU 8 CO 0.00 1.24 -0.10 0.28 -0.62 0.00 0.00 178.44 179.24 2kix h SER 9 N -0.88 -0.29 0.47 1.25 0.02 -1.49 -0.94 113.55 111.69 2kix h SER 9 Ca -0.14 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2kix h SER 9 Cb 1.22 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2kix h SER 9 CO -0.04 -0.15 -0.23 0.40 -1.14 0.00 0.00 176.83 175.67 2kix h ILE 10 N -0.17 0.48 -0.84 3.27 2.04 -1.64 -2.00 117.51 118.64 2kix h ILE 10 Ca 0.04 -0.32 0.16 0.00 1.00 0.00 0.00 64.86 65.75 2kix h ILE 10 Cb 0.22 0.62 -0.16 0.00 -0.74 0.00 0.00 36.82 36.76 2kix h ILE 10 CO -0.10 0.05 -0.23 0.28 0.00 0.00 0.00 178.15 178.14 2kix h SER 11 N -0.84 -0.87 -0.89 1.72 0.02 -1.31 0.49 113.55 111.87 2kix h SER 11 Ca -0.07 0.26 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2kix h SER 11 Cb 0.57 0.55 -0.05 0.00 0.14 0.00 0.00 62.40 63.61 2kix h SER 11 CO 0.11 -0.28 0.58 0.28 -1.14 0.00 0.00 176.83 176.38 2kix h SER 12 N -0.01 0.99 -0.50 3.07 0.02 -1.06 -2.35 113.55 113.71 2kix h SER 12 Ca 0.39 -0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.39 2kix h SER 12 Cb 0.62 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.86 2kix h SER 12 CO -0.87 0.70 0.19 0.15 -1.14 0.00 0.00 176.83 175.85 2kix h PHE 13 N 1.16 0.33 -0.94 3.45 3.57 0.72 0.20 116.94 125.44 2kix h PHE 13 Ca 0.34 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.91 2kix h PHE 13 Cb -0.07 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.54 2kix h PHE 13 CO -0.01 0.11 0.61 0.82 -2.23 0.00 0.00 178.31 177.61 2kix h ILE 14 N 0.37 1.12 -0.37 1.41 2.04 -0.82 -2.01 117.51 119.25 2kix h ILE 14 Ca 0.24 -0.39 -0.12 0.00 1.00 0.00 0.00 64.86 65.59 2kix h ILE 14 Cb 0.25 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 2kix h ILE 14 CO -0.24 0.21 -0.25 0.25 0.00 0.00 0.00 178.15 178.12 2kix h LEU 15 N 1.14 0.86 -0.34 1.44 6.46 -0.82 -2.50 115.31 121.55 2kix h LEU 15 Ca 0.39 -0.43 0.08 0.00 -0.12 0.00 0.00 57.88 57.79 2kix h LEU 15 Cb 0.07 -0.24 -0.08 0.00 -0.73 0.00 0.00 40.66 39.68 2kix h LEU 15 CO -0.14 1.11 -0.22 0.28 -0.62 0.00 0.00 178.44 178.84 2kix h SER 16 N 0.62 -0.74 -0.22 1.25 0.02 0.08 0.27 113.55 114.83 2kix h SER 16 Ca 0.07 0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 2kix h SER 16 Cb 0.82 0.38 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 2kix h SER 16 CO 0.07 -0.25 -0.06 0.00 -1.14 0.00 0.00 176.83 175.45 2kix h ALA 17 N 0.99 1.27 0.34 3.77 0.00 -1.46 0.11 119.26 124.27 2kix h ALA 17 Ca 0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2kix h ALA 17 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kix h ALA 17 CO -0.45 0.49 -0.16 1.25 0.00 0.00 0.00 179.25 180.37 2kix h LEU 18 N 0.52 -0.39 -0.92 0.00 7.12 -0.49 -2.59 115.31 118.57 2kix h LEU 18 Ca 0.10 -0.10 -0.07 0.00 0.13 0.00 0.00 57.88 57.94 2kix h LEU 18 Cb 0.42 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.63 2kix h LEU 18 CO 0.02 -0.12 0.01 -0.74 -0.13 0.00 0.00 178.44 177.48 2kix h HIS 19 N -0.66 0.86 -0.35 1.25 2.76 -0.45 -1.31 115.15 117.25 2kix h HIS 19 Ca -0.05 -0.12 0.07 0.00 -2.20 0.00 0.00 60.37 58.08 2kix h HIS 19 Cb 0.47 -0.24 -0.07 0.00 1.55 0.00 0.00 27.41 29.12 2kix h HIS 19 CO -0.01 0.78 -0.13 0.35 -1.30 0.00 0.00 177.93 177.63 2kix h PHE 20 N 0.75 -0.29 -0.11 5.26 3.57 -0.65 0.31 116.94 125.78 2kix h PHE 20 Ca 0.15 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 2kix h PHE 20 Cb 0.44 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.37 2kix h PHE 20 CO 0.02 -0.20 -0.28 0.82 -2.23 0.00 0.00 178.31 176.45 2kix h ILE 21 N -0.05 1.39 -0.06 1.41 2.04 -1.29 -2.74 117.51 118.21 2kix h ILE 21 Ca 0.17 -1.58 0.02 0.00 1.00 0.00 0.00 64.86 64.47 2kix h ILE 21 Cb 0.32 2.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 2kix h ILE 21 CO -0.39 0.46 0.13 0.00 0.00 0.00 0.00 178.15 178.35 2kix h ALA 22 N 0.51 1.38 0.07 1.87 0.00 -0.74 -1.58 119.26 120.77 2kix h ALA 22 Ca -0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2kix h ALA 22 Cb 0.88 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2kix h ALA 22 CO 0.06 -0.15 -0.47 2.35 0.00 0.00 0.00 179.25 181.03 2kix h TRP 23 N 0.00 0.29 -0.31 0.00 2.91 -0.20 -2.47 115.95 116.17 2kix h TRP 23 Ca 0.03 -0.21 -0.03 0.00 1.13 0.00 0.00 58.89 59.81 2kix h TRP 23 Cb 0.28 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 28.90 2kix h TRP 23 CO 0.00 1.18 0.08 1.15 -1.03 0.00 0.00 178.44 179.82 2kix h THR 24 N -0.66 1.15 0.20 2.65 2.02 -1.04 0.32 112.91 117.55 2kix h THR 24 Ca -0.09 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 2kix h THR 24 Cb 1.35 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2kix h THR 24 CO 0.07 0.18 -0.10 0.40 0.37 0.00 0.00 175.52 176.45 2kix h ILE 25 N 0.44 0.00 -0.44 3.11 2.04 -1.41 -0.43 117.51 120.81 2kix h ILE 25 Ca 0.11 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.24 2kix h ILE 25 Cb 0.17 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 2kix h ILE 25 CO -0.00 0.00 0.30 1.23 0.00 0.00 0.00 178.15 179.67 2kix h GLY 26 N -1.00 0.62 0.28 5.37 0.00 -1.44 0.63 103.07 107.53 2kix h GLY 26 Ca -0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 2kix h GLY 26 CO 0.05 0.23 -0.03 0.84 0.00 0.00 0.00 176.54 177.62 2kix h HIS 27 N 0.60 -0.08 -0.77 5.60 -0.00 -0.44 -2.89 115.15 117.16 2kix h HIS 27 Ca 0.16 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.51 2kix h HIS 27 Cb -0.07 0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.33 2kix h HIS 27 CO -0.00 0.51 0.39 1.25 -0.00 0.00 0.00 177.93 180.08 2kix h LEU 28 N -0.81 1.00 -1.03 0.26 6.46 -0.87 -2.17 115.31 118.16 2kix h LEU 28 Ca -0.01 -0.12 0.12 0.00 -0.12 0.00 0.00 57.88 57.75 2kix h LEU 28 Cb 0.63 -0.26 -0.08 0.00 -0.73 0.00 0.00 40.66 40.22 2kix h LEU 28 CO 0.01 0.84 0.63 -1.13 -0.62 0.00 0.00 178.44 178.18 2kix h ASN 29 N 1.09 0.91 -0.19 1.25 -0.73 0.20 -1.53 115.58 116.58 2kix h ASN 29 Ca 0.27 0.05 0.05 0.00 1.87 0.00 0.00 56.30 58.53 2kix h ASN 29 Cb 0.10 -0.13 -0.05 0.00 0.27 0.00 0.00 38.32 38.50 2kix h ASN 29 CO -0.04 0.48 -0.12 -0.61 -0.37 0.00 0.00 177.43 176.77 2kix h GLN 30 N 0.97 -0.11 -2.50 6.67 5.75 -1.16 -1.98 115.11 122.74 2kix h GLN 30 Ca 0.50 0.01 -0.72 0.00 -0.15 0.00 0.00 58.65 58.28 2kix h GLN 30 Cb 0.51 0.03 -0.15 0.00 1.07 0.00 0.00 27.48 28.94 2kix h GLN 30 CO -0.26 -0.08 2.04 1.51 -2.65 0.00 0.00 178.83 179.39 2kix n ILE 31 N -5.28 5.10 0.07 2.39 3.06 -0.58 -4.34 119.36 119.78 2kix n ILE 31 Ca -0.02 -4.33 0.00 0.00 -2.50 0.00 0.00 62.75 55.90 2kix n ILE 31 Cb 0.20 -1.96 0.00 0.00 0.54 0.00 0.00 39.64 38.42 2kix n ILE 31 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 2kix n LYS 32 N 1.42 0.00 -0.27 9.51 3.00 -0.93 -4.99 118.16 125.91 2kix n LYS 32 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.90 2kix n LYS 32 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.31 2kix n LYS 32 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27