#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 3.17 0.00 -1.26 -4.56 117.00 114.34 2kix n LEU 2 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.89 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 0.11 0.00 1.96 4.39 -2.05 -1.85 114.58 117.13 2kix h GLU 3 Ca 0.00 -0.03 -0.26 0.00 0.34 0.00 0.00 59.36 59.41 2kix h GLU 3 Cb 0.00 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 2kix h GLU 3 CO 0.00 0.36 -1.95 -0.35 -1.16 0.00 0.00 179.01 175.91 2kix n PRO 4 N -4.88 0.66 -0.00 2.33 -0.04 -1.26 -4.45 135.00 127.35 2kix n PRO 4 Ca -0.07 0.10 -0.21 0.00 -0.04 0.00 0.00 63.50 63.28 2kix n PRO 4 Cb 0.17 -1.65 -0.14 0.00 -0.04 0.00 0.00 33.50 31.84 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 0.39 -0.15 0.54 3.04 -1.85 -3.35 116.94 115.55 2kix h PHE 5 Ca -0.33 -0.29 0.02 0.00 3.98 0.00 0.00 57.97 61.35 2kix h PHE 5 Cb 1.89 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 40.35 2kix h PHE 5 CO 0.00 1.48 -0.23 0.37 -2.02 0.00 0.00 178.31 177.91 2kix h GLN 6 N -0.41 -0.17 -0.13 1.11 4.15 -1.56 0.62 115.11 118.71 2kix h GLN 6 Ca -0.27 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.20 2kix h GLN 6 Cb 1.66 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.38 2kix h GLN 6 CO 0.05 -0.12 0.76 0.97 -1.93 0.00 0.00 178.83 178.56 2kix h ILE 7 N -0.18 0.03 0.04 2.39 6.09 -1.76 0.34 117.51 124.45 2kix h ILE 7 Ca 0.03 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.52 2kix h ILE 7 Cb 0.26 0.27 0.00 0.00 0.47 0.00 0.00 36.82 37.82 2kix h ILE 7 CO -0.24 0.00 -0.02 0.25 -3.07 0.00 0.00 178.15 175.07 2kix h LEU 8 N 0.00 -0.04 -1.22 2.19 6.46 0.12 -2.59 115.31 120.23 2kix h LEU 8 Ca 0.06 -0.63 0.04 0.00 -0.12 0.00 0.00 57.88 57.23 2kix h LEU 8 Cb 1.57 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 41.47 2kix h LEU 8 CO -0.00 0.65 0.54 0.77 -0.62 0.00 0.00 178.44 179.78 2kix h SER 9 N -0.78 0.87 0.78 1.25 4.64 0.02 -2.64 113.55 117.69 2kix h SER 9 Ca -0.01 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 2kix h SER 9 Cb 0.67 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2kix h SER 9 CO 0.01 0.60 -0.38 0.40 -0.87 0.00 0.00 176.83 176.59 2kix h ILE 10 N 1.01 0.22 -0.81 0.95 1.08 -1.42 -0.94 117.51 117.60 2kix h ILE 10 Ca 0.33 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.95 2kix h ILE 10 Cb 0.04 0.22 -0.15 0.00 -3.07 0.00 0.00 36.82 33.86 2kix h ILE 10 CO -0.10 0.00 -0.25 0.28 -0.69 0.00 0.00 178.15 177.39 2kix h SER 11 N -1.06 -0.93 -0.88 1.72 0.02 -1.13 0.70 113.55 112.00 2kix h SER 11 Ca -0.11 0.25 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 2kix h SER 11 Cb 0.81 0.56 -0.05 0.00 0.14 0.00 0.00 62.40 63.86 2kix h SER 11 CO 0.17 -0.28 0.58 -1.28 -1.14 0.00 0.00 176.83 174.88 2kix h SER 12 N -0.03 0.94 -0.80 3.07 0.87 -1.22 -1.74 113.55 114.65 2kix h SER 12 Ca 0.37 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2kix h SER 12 Cb 0.60 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 2kix h SER 12 CO -0.85 0.64 0.52 0.15 -0.53 0.00 0.00 176.83 176.76 2kix h PHE 13 N 1.09 1.02 0.03 2.24 3.57 0.18 0.41 116.94 125.48 2kix h PHE 13 Ca 0.35 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.87 2kix h PHE 13 Cb 0.04 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.44 2kix h PHE 13 CO -0.00 0.66 -0.02 0.82 -2.23 0.00 0.00 178.31 177.54 2kix h ILE 14 N 1.09 1.06 -0.75 1.41 1.08 -0.35 -2.68 117.51 118.36 2kix h ILE 14 Ca 0.29 -0.27 -0.06 0.00 -0.39 0.00 0.00 64.86 64.43 2kix h ILE 14 Cb -0.10 1.24 -0.03 0.00 -3.07 0.00 0.00 36.82 34.86 2kix h ILE 14 CO -0.06 0.07 0.25 0.25 -0.69 0.00 0.00 178.15 177.97 2kix h LEU 15 N -0.16 1.08 -0.54 1.44 6.46 -1.07 -1.00 115.31 121.52 2kix h LEU 15 Ca -0.00 -0.20 0.11 0.00 -0.12 0.00 0.00 57.88 57.66 2kix h LEU 15 Cb 0.15 -0.28 -0.11 0.00 -0.73 0.00 0.00 40.66 39.69 2kix h LEU 15 CO 0.01 1.00 -0.19 0.77 -0.62 0.00 0.00 178.44 179.40 2kix h SER 16 N 1.11 -0.69 -0.18 1.25 4.64 0.09 0.52 113.55 120.29 2kix h SER 16 Ca 0.25 0.18 -0.17 0.00 -0.47 0.00 0.00 61.79 61.58 2kix h SER 16 Cb 0.29 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2kix h SER 16 CO -0.01 -0.23 -0.54 0.00 -0.87 0.00 0.00 176.83 175.19 2kix h ALA 17 N 1.37 0.31 -0.75 5.18 0.00 -1.25 -2.46 119.26 121.65 2kix h ALA 17 Ca 0.25 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 54.72 2kix h ALA 17 Cb 0.46 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2kix h ALA 17 CO -0.59 0.51 0.44 1.25 0.00 0.00 0.00 179.25 180.86 2kix h LEU 18 N 0.38 0.65 -0.77 0.00 7.12 0.05 -1.08 115.31 121.65 2kix h LEU 18 Ca -0.02 0.03 -0.11 0.00 0.13 0.00 0.00 57.88 57.92 2kix h LEU 18 Cb 1.16 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.17 2kix h LEU 18 CO 0.12 0.41 -0.24 -0.74 -0.13 0.00 0.00 178.44 177.85 2kix h HIS 19 N 0.78 0.76 -0.08 1.25 2.76 0.01 0.33 115.15 120.96 2kix h HIS 19 Ca 0.34 -0.17 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2kix h HIS 19 Cb 0.23 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 2kix h HIS 19 CO -0.06 0.85 0.05 0.35 -1.30 0.00 0.00 177.93 177.81 2kix h PHE 20 N 0.59 0.11 0.09 5.26 3.57 -0.74 0.44 116.94 126.26 2kix h PHE 20 Ca 0.08 -0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.31 2kix h PHE 20 Cb 0.72 -0.04 0.02 0.00 2.79 0.00 0.00 35.95 39.44 2kix h PHE 20 CO 0.03 0.14 -1.16 0.97 -2.23 0.00 0.00 178.31 176.07 2kix h ILE 21 N 0.06 1.36 -0.28 1.41 2.10 -1.25 -2.64 117.51 118.26 2kix h ILE 21 Ca 0.03 -2.57 -0.07 0.00 1.08 0.00 0.00 64.86 63.33 2kix h ILE 21 Cb 0.06 2.66 -0.01 0.00 -1.09 0.00 0.00 36.82 38.44 2kix h ILE 21 CO -0.01 0.77 -0.11 0.00 -1.08 0.00 0.00 178.15 177.73 2kix h ALA 22 N 0.48 0.39 -0.44 0.18 0.00 -0.27 -1.57 119.26 118.03 2kix h ALA 22 Ca -0.15 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2kix h ALA 22 Cb 1.83 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 2kix h ALA 22 CO 0.21 0.24 0.09 2.35 0.00 0.00 0.00 179.25 182.14 2kix h TRP 23 N 0.31 0.76 -0.41 0.00 2.91 -0.20 0.22 115.95 119.54 2kix h TRP 23 Ca 0.06 -0.10 -0.06 0.00 1.13 0.00 0.00 58.89 59.92 2kix h TRP 23 Cb 0.61 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.03 2kix h TRP 23 CO 0.06 0.71 -0.00 1.15 -1.03 0.00 0.00 178.44 179.33 2kix h THR 24 N 0.59 1.22 0.04 2.65 2.02 -1.43 0.23 112.91 118.23 2kix h THR 24 Ca 0.14 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 2kix h THR 24 Cb 0.35 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2kix h THR 24 CO 0.00 0.32 -0.02 0.40 0.37 0.00 0.00 175.52 176.59 2kix h ILE 25 N 0.62 0.52 -0.40 3.11 2.04 -1.01 -1.03 117.51 121.37 2kix h ILE 25 Ca 0.13 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.67 2kix h ILE 25 Cb 0.40 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2kix h ILE 25 CO 0.02 0.17 0.25 1.23 0.00 0.00 0.00 178.15 179.81 2kix h GLY 26 N -1.00 0.56 0.11 5.37 0.00 -0.61 0.85 103.07 108.35 2kix h GLY 26 Ca -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 2kix h GLY 26 CO 0.01 0.21 -0.01 0.84 0.00 0.00 0.00 176.54 177.59 2kix h HIS 27 N 0.54 -0.02 -0.53 5.60 -0.00 -0.65 -2.67 115.15 117.43 2kix h HIS 27 Ca 0.14 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.46 2kix h HIS 27 Cb -0.04 0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 2kix h HIS 27 CO 0.00 0.78 0.12 1.25 -0.00 0.00 0.00 177.93 180.09 2kix h LEU 28 N -0.91 0.81 -1.11 0.26 6.46 -1.02 -2.63 115.31 117.18 2kix h LEU 28 Ca -0.00 -0.24 0.02 0.00 -0.12 0.00 0.00 57.88 57.55 2kix h LEU 28 Cb 0.80 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.47 2kix h LEU 28 CO 0.00 0.84 0.60 -1.13 -0.62 0.00 0.00 178.44 178.13 2kix h ASN 29 N 0.75 1.01 -0.28 1.25 -0.73 0.63 -2.37 115.58 115.85 2kix h ASN 29 Ca 0.17 -0.02 0.06 0.00 1.87 0.00 0.00 56.30 58.38 2kix h ASN 29 Cb 0.35 -0.24 -0.06 0.00 0.27 0.00 0.00 38.32 38.64 2kix h ASN 29 CO 0.00 0.71 -0.09 -0.61 -0.37 0.00 0.00 177.43 177.07 2kix h GLN 30 N 1.19 -0.03 -2.46 6.67 5.75 -1.10 -1.44 115.11 123.69 2kix h GLN 30 Ca 0.35 0.00 -0.70 0.00 -0.15 0.00 0.00 58.65 58.16 2kix h GLN 30 Cb -0.05 0.01 -0.15 0.00 1.07 0.00 0.00 27.48 28.36 2kix h GLN 30 CO -0.09 -0.02 1.90 1.51 -2.65 0.00 0.00 178.83 179.47 2kix n ILE 31 N -5.27 4.89 0.00 2.39 3.06 -0.89 -4.39 119.36 119.15 2kix n ILE 31 Ca -0.00 -4.15 0.00 0.00 -2.50 0.00 0.00 62.75 56.09 2kix n ILE 31 Cb 0.18 -1.93 0.00 0.00 0.54 0.00 0.00 39.64 38.43 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 1.41 0.00 -0.24 9.51 4.81 -0.86 -4.99 118.16 127.80 2kix n LYS 32 Ca 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 2kix n LYS 32 Cb 0.31 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.36 2kix n LYS 32 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44