#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 0.03 4.03 0.00 -1.26 -4.54 117.00 115.26 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 0.73 -0.33 0.00 0.00 0.00 177.39 177.79 2kix h GLU 3 N 0.00 -0.05 0.00 1.96 5.08 -2.06 -2.04 114.58 117.47 2kix h GLU 3 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.11 2kix h GLU 3 Cb 0.00 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2kix h GLU 3 CO 0.00 0.21 -1.96 -0.35 -1.00 0.00 0.00 179.01 175.91 2kix n PRO 4 N -4.99 0.66 0.02 2.33 -0.04 -1.26 -4.48 135.00 127.23 2kix n PRO 4 Ca -0.08 0.09 -0.21 0.00 -0.04 0.00 0.00 63.50 63.26 2kix n PRO 4 Cb 0.16 -1.65 -0.14 0.00 -0.04 0.00 0.00 33.50 31.83 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 0.46 -0.27 0.54 3.04 -1.85 -3.35 116.94 115.51 2kix h PHE 5 Ca -0.33 -0.34 0.03 0.00 3.98 0.00 0.00 57.97 61.32 2kix h PHE 5 Cb 1.88 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 40.32 2kix h PHE 5 CO 0.00 1.42 -0.34 0.37 -2.02 0.00 0.00 178.31 177.74 2kix h GLN 6 N -0.38 -0.22 -0.28 1.11 4.15 -1.60 0.78 115.11 118.68 2kix h GLN 6 Ca -0.22 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.29 2kix h GLN 6 Cb 1.67 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.40 2kix h GLN 6 CO 0.09 -0.14 0.71 0.97 -1.93 0.00 0.00 178.83 178.53 2kix h ILE 7 N -0.22 0.08 -0.05 2.39 2.10 -1.75 0.60 117.51 120.65 2kix h ILE 7 Ca 0.05 0.00 -0.16 0.00 1.08 0.00 0.00 64.86 65.82 2kix h ILE 7 Cb 0.35 0.35 0.01 0.00 -1.09 0.00 0.00 36.82 36.44 2kix h ILE 7 CO -0.37 0.00 -0.60 0.25 -1.08 0.00 0.00 178.15 176.34 2kix h LEU 8 N 0.00 0.62 -0.84 2.19 6.46 0.45 -2.85 115.31 121.34 2kix h LEU 8 Ca 0.13 -0.70 0.00 0.00 -0.12 0.00 0.00 57.88 57.20 2kix h LEU 8 Cb 1.56 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 41.26 2kix h LEU 8 CO -0.00 1.23 0.54 -1.28 -0.62 0.00 0.00 178.44 178.31 2kix h SER 9 N 0.06 0.98 0.93 1.25 0.87 0.64 -2.39 113.55 115.89 2kix h SER 9 Ca -0.06 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.41 2kix h SER 9 Cb 1.28 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 63.00 2kix h SER 9 CO 0.12 0.73 -0.45 0.40 -0.53 0.00 0.00 176.83 177.10 2kix h ILE 10 N 1.14 0.04 -1.02 2.23 5.03 -1.50 -2.41 117.51 121.04 2kix h ILE 10 Ca 0.31 -0.05 0.35 0.00 -0.12 0.00 0.00 64.86 65.34 2kix h ILE 10 Cb -0.10 0.05 -0.15 0.00 -3.03 0.00 0.00 36.82 33.58 2kix h ILE 10 CO -0.06 0.00 0.58 0.28 -0.68 0.00 0.00 178.15 178.26 2kix h SER 11 N -1.30 0.46 -0.71 1.72 0.02 -1.39 0.65 113.55 113.01 2kix h SER 11 Ca -0.13 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2kix h SER 11 Cb 0.96 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 2kix h SER 11 CO 0.21 -0.20 0.44 -1.28 -1.14 0.00 0.00 176.83 174.86 2kix h SER 12 N 0.24 0.83 -0.65 3.07 0.87 -0.96 -2.14 113.55 114.82 2kix h SER 12 Ca 0.76 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 61.24 2kix h SER 12 Cb 1.84 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 63.56 2kix h SER 12 CO -0.63 0.63 0.29 0.15 -0.53 0.00 0.00 176.83 176.74 2kix h PHE 13 N 0.96 0.99 -0.26 2.24 3.57 0.71 -1.47 116.94 123.68 2kix h PHE 13 Ca 0.26 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2kix h PHE 13 Cb -0.06 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.36 2kix h PHE 13 CO -0.02 0.75 0.13 0.82 -2.23 0.00 0.00 178.31 177.76 2kix h ILE 14 N 0.97 1.14 -0.06 1.41 1.08 -0.79 -2.39 117.51 118.88 2kix h ILE 14 Ca 0.23 -0.41 -0.07 0.00 -0.39 0.00 0.00 64.86 64.22 2kix h ILE 14 Cb 0.16 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 2kix h ILE 14 CO -0.02 0.14 -0.28 0.25 -0.69 0.00 0.00 178.15 177.55 2kix h LEU 15 N 0.29 0.10 0.34 1.44 5.85 -1.13 -1.91 115.31 120.29 2kix h LEU 15 Ca 0.09 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2kix h LEU 15 Cb 0.11 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2kix h LEU 15 CO -0.01 0.38 -0.16 0.28 -0.34 0.00 0.00 178.44 178.59 2kix h SER 16 N 0.09 -0.39 0.03 1.25 0.02 -0.77 0.75 113.55 114.53 2kix h SER 16 Ca 0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2kix h SER 16 Cb 0.55 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2kix h SER 16 CO 0.04 -0.27 -0.02 0.00 -1.14 0.00 0.00 176.83 175.45 2kix h ALA 17 N 0.18 -0.04 -0.88 3.77 0.00 -1.39 -0.86 119.26 120.04 2kix h ALA 17 Ca -0.05 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 54.86 2kix h ALA 17 Cb 0.36 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 2kix h ALA 17 CO 0.08 -0.35 0.45 1.25 0.00 0.00 0.00 179.25 180.67 2kix h LEU 18 N -0.38 0.52 -0.57 0.00 5.85 -1.31 0.18 115.31 119.60 2kix h LEU 18 Ca -0.00 0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.67 2kix h LEU 18 Cb 0.36 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2kix h LEU 18 CO 0.01 0.18 -0.51 -0.74 -0.34 0.00 0.00 178.44 177.04 2kix h HIS 19 N 0.59 0.67 0.46 1.25 2.76 -0.69 -0.60 115.15 119.59 2kix h HIS 19 Ca 0.50 -0.23 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 2kix h HIS 19 Cb 0.77 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.60 2kix h HIS 19 CO -0.09 0.94 -0.22 0.35 -1.30 0.00 0.00 177.93 177.61 2kix h PHE 20 N 0.43 -0.57 -0.47 5.26 3.57 0.70 0.31 116.94 126.17 2kix h PHE 20 Ca 0.02 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2kix h PHE 20 Cb 1.04 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 2kix h PHE 20 CO 0.04 -0.25 0.22 0.97 -2.23 0.00 0.00 178.31 177.07 2kix h ILE 21 N -0.95 1.16 -0.20 1.41 6.09 -0.86 -0.42 117.51 123.74 2kix h ILE 21 Ca -0.06 -0.45 -0.10 0.00 -1.37 0.00 0.00 64.86 62.87 2kix h ILE 21 Cb 0.58 0.57 -0.00 0.00 0.47 0.00 0.00 36.82 38.44 2kix h ILE 21 CO 0.10 0.19 -0.28 0.00 -3.07 0.00 0.00 178.15 175.09 2kix h ALA 22 N 1.59 0.30 -0.39 0.18 0.00 -1.02 -2.40 119.26 117.53 2kix h ALA 22 Ca 0.16 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2kix h ALA 22 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2kix h ALA 22 CO -0.02 0.30 0.10 2.35 0.00 0.00 0.00 179.25 181.98 2kix h TRP 23 N 0.21 0.64 -0.27 0.00 2.91 0.03 0.24 115.95 119.71 2kix h TRP 23 Ca 0.02 -0.07 -0.01 0.00 1.13 0.00 0.00 58.89 59.96 2kix h TRP 23 Cb 0.85 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.30 2kix h TRP 23 CO 0.09 0.62 0.12 1.15 -1.03 0.00 0.00 178.44 179.39 2kix h THR 24 N 0.48 1.10 0.00 2.65 2.02 -1.09 0.14 112.91 118.21 2kix h THR 24 Ca 0.12 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 2kix h THR 24 Cb 0.29 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2kix h THR 24 CO -0.00 0.12 -0.21 0.40 0.37 0.00 0.00 175.52 176.20 2kix h ILE 25 N 0.38 0.08 -0.54 3.11 2.04 -1.00 -3.35 117.51 118.22 2kix h ILE 25 Ca 0.10 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 64.94 2kix h ILE 25 Cb 0.06 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 2kix h ILE 25 CO -0.01 0.03 0.36 1.23 0.00 0.00 0.00 178.15 179.75 2kix h GLY 26 N -1.00 0.64 0.80 5.37 0.00 -0.56 -1.46 103.07 106.85 2kix h GLY 26 Ca -0.01 -0.21 0.12 0.00 0.00 0.00 0.00 47.33 47.23 2kix h GLY 26 CO -0.00 0.17 0.49 0.84 0.00 0.00 0.00 176.54 178.04 2kix h HIS 27 N 0.53 0.60 -0.67 5.60 -0.00 -0.88 0.69 115.15 121.02 2kix h HIS 27 Ca 0.23 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.67 2kix h HIS 27 Cb 0.23 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.41 2kix h HIS 27 CO -0.00 0.26 0.45 -0.07 -0.00 0.00 0.00 177.93 178.56 2kix h LEU 28 N 0.54 0.64 -0.99 0.26 3.38 -1.39 -1.12 115.31 116.63 2kix h LEU 28 Ca 0.36 -0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.55 2kix h LEU 28 Cb 0.64 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.13 2kix h LEU 28 CO -0.13 0.42 0.58 0.78 0.09 0.00 0.00 178.44 180.18 2kix h ASN 29 N 0.73 0.68 -0.20 -0.43 -0.26 -0.95 1.00 115.58 116.15 2kix h ASN 29 Ca 0.28 0.12 -0.05 0.00 -0.56 0.00 0.00 56.30 56.10 2kix h ASN 29 Cb 0.20 0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 2kix h ASN 29 CO -0.09 0.16 -0.01 1.56 -1.06 0.00 0.00 177.43 178.00 2kix h GLN 30 N 0.63 0.47 -1.81 0.81 1.08 -1.30 -2.37 115.11 112.63 2kix h GLN 30 Ca 0.61 -0.10 -0.25 0.00 -1.45 0.00 0.00 58.65 57.46 2kix h GLN 30 Cb 1.08 -0.07 -0.10 0.00 -0.05 0.00 0.00 27.48 28.34 2kix h GLN 30 CO -0.44 0.51 0.18 -0.89 -0.95 0.00 0.00 178.83 177.23 2kix n ILE 31 N -4.29 2.70 -0.09 2.54 5.41 0.34 -4.24 119.36 121.73 2kix n ILE 31 Ca 0.01 -1.56 -0.09 0.00 1.00 0.00 0.00 62.75 62.11 2kix n ILE 31 Cb 0.24 -1.53 -0.03 0.00 -0.71 0.00 0.00 39.64 37.61 2kix n ILE 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2kix n LYS 32 N 1.07 0.51 -0.29 0.38 4.81 -0.89 -5.02 118.16 118.73 2kix n LYS 32 Ca 0.27 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 2kix n LYS 32 Cb 0.60 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 34.14 2kix n LYS 32 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11