#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 0.07 -0.89 0.00 -1.26 -4.52 117.00 110.39 2kix n LEU 2 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.88 2kix n LEU 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.34 2kix n LEU 2 CO 0.00 0.00 0.75 -0.33 0.00 0.00 0.00 177.39 177.81 2kix h GLU 3 N 0.00 -0.13 0.00 1.96 4.39 -2.06 -1.92 114.58 116.83 2kix h GLU 3 Ca 0.00 0.01 -0.30 0.00 0.34 0.00 0.00 59.36 59.41 2kix h GLU 3 Cb 0.00 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 2kix h GLU 3 CO 0.00 0.07 -2.03 -0.35 -1.16 0.00 0.00 179.01 175.54 2kix n PRO 4 N -5.07 0.66 0.05 2.33 -0.04 -1.26 -4.47 135.00 127.21 2kix n PRO 4 Ca -0.08 0.11 -0.21 0.00 -0.04 0.00 0.00 63.50 63.27 2kix n PRO 4 Cb 0.15 -1.64 -0.15 0.00 -0.04 0.00 0.00 33.50 31.82 2kix n PRO 4 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2kix h PHE 5 N 0.00 0.57 -0.20 0.54 3.57 -1.85 -3.34 116.94 116.24 2kix h PHE 5 Ca -0.38 -0.42 0.02 0.00 3.53 0.00 0.00 57.97 60.72 2kix h PHE 5 Cb 2.02 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 40.69 2kix h PHE 5 CO 0.00 1.40 -0.28 0.37 -2.23 0.00 0.00 178.31 177.57 2kix h GLN 6 N -0.29 -0.20 -0.42 1.11 4.15 -1.57 0.69 115.11 118.58 2kix h GLN 6 Ca -0.20 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.36 2kix h GLN 6 Cb 1.74 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 29.45 2kix h GLN 6 CO 0.14 -0.13 0.84 0.97 -1.93 0.00 0.00 178.83 178.73 2kix h ILE 7 N -0.20 0.07 -0.06 2.39 6.09 -1.74 1.02 117.51 125.08 2kix h ILE 7 Ca 0.03 0.00 -0.21 0.00 -1.37 0.00 0.00 64.86 63.32 2kix h ILE 7 Cb 0.30 0.25 0.01 0.00 0.47 0.00 0.00 36.82 37.85 2kix h ILE 7 CO -0.29 0.00 -0.76 0.25 -3.07 0.00 0.00 178.15 174.27 2kix h LEU 8 N 0.00 0.78 -0.94 2.19 6.46 0.25 -2.87 115.31 121.18 2kix h LEU 8 Ca 0.20 -0.70 -0.03 0.00 -0.12 0.00 0.00 57.88 57.23 2kix h LEU 8 Cb 1.88 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 41.54 2kix h LEU 8 CO -0.00 1.36 0.35 0.77 -0.62 0.00 0.00 178.44 180.30 2kix h SER 9 N 0.26 1.01 0.84 1.25 4.64 0.15 -2.50 113.55 119.21 2kix h SER 9 Ca -0.08 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 2kix h SER 9 Cb 1.42 -0.26 0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2kix h SER 9 CO 0.15 0.87 -0.40 0.40 -0.87 0.00 0.00 176.83 176.98 2kix h ILE 10 N 1.10 0.08 -0.96 0.95 5.03 -1.47 0.12 117.51 122.36 2kix h ILE 10 Ca 0.26 -0.13 0.30 0.00 -0.12 0.00 0.00 64.86 65.18 2kix h ILE 10 Cb 0.14 0.09 -0.16 0.00 -3.03 0.00 0.00 36.82 33.86 2kix h ILE 10 CO -0.03 0.00 0.40 0.28 -0.68 0.00 0.00 178.15 178.12 2kix h SER 11 N -1.24 0.21 -0.16 1.72 0.02 -1.42 0.27 113.55 112.94 2kix h SER 11 Ca -0.12 0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 2kix h SER 11 Cb 0.87 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 2kix h SER 11 CO 0.19 -0.22 -0.24 -1.28 -1.14 0.00 0.00 176.83 174.15 2kix h SER 12 N 0.20 0.48 -0.39 3.07 0.87 -1.12 -2.44 113.55 114.22 2kix h SER 12 Ca 0.68 -0.52 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2kix h SER 12 Cb 1.54 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.34 2kix h SER 12 CO -0.68 0.91 0.25 0.15 -0.53 0.00 0.00 176.83 176.93 2kix h PHE 13 N 0.07 0.47 -0.91 2.24 3.57 0.21 0.40 116.94 123.00 2kix h PHE 13 Ca 0.02 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2kix h PHE 13 Cb 0.80 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 2kix h PHE 13 CO 0.09 0.29 0.60 0.82 -2.23 0.00 0.00 178.31 177.88 2kix h ILE 14 N 0.51 1.22 -0.20 1.41 2.04 -0.69 -2.40 117.51 119.39 2kix h ILE 14 Ca 0.15 -0.42 -0.21 0.00 1.00 0.00 0.00 64.86 65.38 2kix h ILE 14 Cb -0.04 -0.10 0.01 0.00 -0.74 0.00 0.00 36.82 35.95 2kix h ILE 14 CO -0.05 0.22 -0.70 0.25 0.00 0.00 0.00 178.15 177.88 2kix h LEU 15 N 1.21 0.96 -0.60 1.44 6.46 -0.90 -2.38 115.31 121.50 2kix h LEU 15 Ca 0.34 -0.59 0.10 0.00 -0.12 0.00 0.00 57.88 57.60 2kix h LEU 15 Cb -0.11 -0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 39.46 2kix h LEU 15 CO -0.08 1.39 0.20 0.28 -0.62 0.00 0.00 178.44 179.61 2kix h SER 16 N 0.59 0.18 -0.03 1.25 0.02 0.24 0.40 113.55 116.20 2kix h SER 16 Ca -0.03 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2kix h SER 16 Cb 1.32 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.94 2kix h SER 16 CO 0.15 0.11 -0.05 0.00 -1.14 0.00 0.00 176.83 175.90 2kix h ALA 17 N 1.42 0.05 -0.90 3.77 0.00 -1.45 -2.54 119.26 119.61 2kix h ALA 17 Ca 0.30 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 55.02 2kix h ALA 17 Cb 0.39 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2kix h ALA 17 CO -0.32 -0.14 0.58 1.25 0.00 0.00 0.00 179.25 180.63 2kix h LEU 18 N -0.42 0.80 -0.64 0.00 5.85 -0.97 -0.80 115.31 119.14 2kix h LEU 18 Ca 0.00 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 2kix h LEU 18 Cb 0.60 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2kix h LEU 18 CO 0.01 0.46 0.08 -0.74 -0.34 0.00 0.00 178.44 177.91 2kix h HIS 19 N 0.88 1.16 0.24 1.25 2.76 -0.15 0.40 115.15 121.69 2kix h HIS 19 Ca 0.43 -0.17 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 2kix h HIS 19 Cb 0.44 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.09 2kix h HIS 19 CO -0.00 0.99 -0.11 0.35 -1.30 0.00 0.00 177.93 177.85 2kix h PHE 20 N 0.99 -0.30 -0.34 5.26 3.57 -0.72 0.36 116.94 125.76 2kix h PHE 20 Ca 0.19 -0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.52 2kix h PHE 20 Cb 0.47 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 2kix h PHE 20 CO 0.04 -0.13 -0.43 0.82 -2.23 0.00 0.00 178.31 176.38 2kix h ILE 21 N -0.39 1.28 -0.45 1.41 2.04 -1.34 -2.53 117.51 117.53 2kix h ILE 21 Ca -0.03 -1.60 -0.08 0.00 1.00 0.00 0.00 64.86 64.14 2kix h ILE 21 Cb 0.30 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2kix h ILE 21 CO 0.05 0.53 -0.05 0.00 0.00 0.00 0.00 178.15 178.68 2kix h ALA 22 N 0.82 1.06 -0.30 1.87 0.00 -0.07 -1.75 119.26 120.89 2kix h ALA 22 Ca 0.05 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2kix h ALA 22 Cb 1.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2kix h ALA 22 CO 0.10 0.58 -0.04 2.35 0.00 0.00 0.00 179.25 182.24 2kix h TRP 23 N 0.71 0.62 -0.27 0.00 2.91 -0.18 0.94 115.95 120.68 2kix h TRP 23 Ca 0.13 -0.12 -0.06 0.00 1.13 0.00 0.00 58.89 59.97 2kix h TRP 23 Cb 0.51 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 28.99 2kix h TRP 23 CO 0.03 0.72 -0.11 1.15 -1.03 0.00 0.00 178.44 179.20 2kix h THR 24 N 0.34 1.22 0.08 2.65 2.02 -1.29 0.24 112.91 118.17 2kix h THR 24 Ca 0.08 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 2kix h THR 24 Cb 0.50 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2kix h THR 24 CO 0.02 0.31 -0.04 0.40 0.37 0.00 0.00 175.52 176.58 2kix h ILE 25 N 0.42 0.39 -0.36 3.11 2.04 -1.12 -2.03 117.51 119.95 2kix h ILE 25 Ca 0.08 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 2kix h ILE 25 Cb 0.45 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2kix h ILE 25 CO 0.02 0.12 0.09 1.23 0.00 0.00 0.00 178.15 179.62 2kix h GLY 26 N -1.01 0.57 0.41 5.37 0.00 -0.85 -1.87 103.07 105.69 2kix h GLY 26 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 2kix h GLY 26 CO 0.02 0.28 -0.03 0.84 0.00 0.00 0.00 176.54 177.65 2kix h HIS 27 N 0.52 0.04 -0.81 5.60 -0.00 -0.63 -3.12 115.15 116.76 2kix h HIS 27 Ca 0.12 -0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.62 2kix h HIS 27 Cb 0.20 -0.01 -0.06 0.00 -0.00 0.00 0.00 27.41 27.54 2kix h HIS 27 CO 0.01 0.65 0.53 1.25 -0.00 0.00 0.00 177.93 180.37 2kix h LEU 28 N -0.58 0.51 -1.63 0.26 6.46 -1.21 0.20 115.31 119.33 2kix h LEU 28 Ca -0.00 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.84 2kix h LEU 28 Cb 0.65 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 2kix h LEU 28 CO 0.01 0.26 0.33 0.78 -0.62 0.00 0.00 178.44 179.19 2kix h ASN 29 N 0.54 0.41 -0.20 1.25 2.35 -1.27 -1.93 115.58 116.73 2kix h ASN 29 Ca 0.40 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.15 2kix h ASN 29 Cb 0.78 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 2kix h ASN 29 CO -0.15 0.27 0.12 -0.61 -1.65 0.00 0.00 177.43 175.41 2kix h GLN 30 N 0.47 0.27 -2.33 0.81 5.75 -0.60 -2.85 115.11 116.63 2kix h GLN 30 Ca 0.21 -0.02 -0.66 0.00 -0.15 0.00 0.00 58.65 58.03 2kix h GLN 30 Cb 0.23 -0.06 -0.16 0.00 1.07 0.00 0.00 27.48 28.56 2kix h GLN 30 CO -0.05 0.21 1.50 1.51 -2.65 0.00 0.00 178.83 179.35 2kix n ILE 31 N -4.93 4.53 0.00 2.39 3.06 -0.73 -4.44 119.36 119.25 2kix n ILE 31 Ca -0.03 -3.96 0.00 0.00 -2.50 0.00 0.00 62.75 56.26 2kix n ILE 31 Cb 0.05 -1.82 0.00 0.00 0.54 0.00 0.00 39.64 38.41 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 1.18 0.00 -0.29 9.51 4.81 -1.09 -5.01 118.16 127.28 2kix n LYS 32 Ca 0.56 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 2kix n LYS 32 Cb 0.36 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.41 2kix n LYS 32 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44