#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 -0.02 3.17 0.00 -1.26 -4.56 117.00 114.33 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 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 2kix n LEU 2 CO 0.00 0.00 0.58 -0.33 0.00 0.00 0.00 177.39 177.64 2kix h GLU 3 N 0.00 -0.01 0.00 1.96 5.08 -2.05 -2.33 114.58 117.23 2kix h GLU 3 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2kix h GLU 3 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2kix h GLU 3 CO 0.00 0.58 -1.64 -0.35 -1.00 0.00 0.00 179.01 176.59 2kix n PRO 4 N -4.81 0.64 -0.08 2.33 -0.04 -1.26 -4.27 135.00 127.50 2kix n PRO 4 Ca -0.09 0.07 -0.14 0.00 -0.04 0.00 0.00 63.50 63.30 2kix n PRO 4 Cb 0.29 -1.70 -0.10 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.00 -0.73 0.54 3.04 -1.85 -3.31 116.94 114.63 2kix h PHE 5 Ca -0.16 0.00 0.16 0.00 3.98 0.00 0.00 57.97 61.94 2kix h PHE 5 Cb 1.47 0.00 -0.13 0.00 2.56 0.00 0.00 35.95 39.84 2kix h PHE 5 CO 0.00 0.97 -0.07 0.37 -2.02 0.00 0.00 178.31 177.56 2kix h GLN 6 N -1.00 0.06 0.00 1.11 4.15 -1.64 1.04 115.11 118.82 2kix h GLN 6 Ca -0.13 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 2kix h GLN 6 Cb 0.95 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.62 2kix h GLN 6 CO -0.08 0.04 -0.01 0.97 -1.93 0.00 0.00 178.83 177.82 2kix h ILE 7 N 0.06 0.11 -0.01 2.39 2.10 -1.73 -1.64 117.51 118.80 2kix h ILE 7 Ca 0.38 -0.11 -0.25 0.00 1.08 0.00 0.00 64.86 65.96 2kix h ILE 7 Cb 0.64 1.10 0.01 0.00 -1.09 0.00 0.00 36.82 37.48 2kix h ILE 7 CO -0.68 0.01 -0.99 0.25 -1.08 0.00 0.00 178.15 175.66 2kix h LEU 8 N 0.00 0.78 -0.23 2.19 5.85 0.10 -0.54 115.31 123.47 2kix h LEU 8 Ca -0.00 -0.61 -0.04 0.00 0.84 0.00 0.00 57.88 58.07 2kix h LEU 8 Cb 0.10 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 2kix h LEU 8 CO 0.00 1.41 -0.01 0.77 -0.34 0.00 0.00 178.44 180.28 2kix h SER 9 N 0.35 0.40 1.22 1.25 4.64 -0.93 0.31 113.55 120.79 2kix h SER 9 Ca -0.11 -0.32 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 2kix h SER 9 Cb 1.63 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.61 2kix h SER 9 CO 0.19 0.62 -0.06 0.40 -0.87 0.00 0.00 176.83 177.11 2kix h ILE 10 N 0.16 0.13 0.01 0.95 5.03 -1.53 -1.32 117.51 120.95 2kix h ILE 10 Ca 0.06 -0.78 -0.04 0.00 -0.12 0.00 0.00 64.86 63.98 2kix h ILE 10 Cb 0.42 1.69 -0.00 0.00 -3.03 0.00 0.00 36.82 35.90 2kix h ILE 10 CO 0.01 0.06 -0.20 -1.28 -0.68 0.00 0.00 178.15 176.06 2kix h SER 11 N 0.00 0.04 0.32 1.72 0.87 -0.67 -2.81 113.55 113.02 2kix h SER 11 Ca -0.00 -0.94 -0.04 0.00 -1.23 0.00 0.00 61.79 59.58 2kix h SER 11 Cb 0.68 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 2kix h SER 11 CO 0.01 1.08 -0.17 0.28 -0.53 0.00 0.00 176.83 177.50 2kix h SER 12 N -0.95 0.00 0.32 6.23 0.02 -0.40 -1.07 113.55 117.71 2kix h SER 12 Ca -0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2kix h SER 12 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2kix h SER 12 CO -0.01 0.17 -0.15 0.15 -1.14 0.00 0.00 176.83 175.85 2kix h PHE 13 N 0.00 -0.40 -0.37 3.45 3.57 -1.32 0.04 116.94 121.90 2kix h PHE 13 Ca -0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.57 2kix h PHE 13 Cb 0.38 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 2kix h PHE 13 CO 0.00 -0.25 0.26 0.97 -2.23 0.00 0.00 178.31 177.06 2kix h ILE 14 N -0.98 0.88 -0.02 1.41 2.10 -1.48 -0.04 117.51 119.38 2kix h ILE 14 Ca -0.04 -0.05 -0.19 0.00 1.08 0.00 0.00 64.86 65.66 2kix h ILE 14 Cb 0.33 0.74 -0.01 0.00 -1.09 0.00 0.00 36.82 36.79 2kix h ILE 14 CO 0.07 0.02 -0.81 0.25 -1.08 0.00 0.00 178.15 176.61 2kix h LEU 15 N 0.13 0.32 0.31 2.19 5.85 -1.21 -2.52 115.31 120.38 2kix h LEU 15 Ca 0.17 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2kix h LEU 15 Cb 0.51 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2kix h LEU 15 CO -0.02 1.00 -0.15 0.28 -0.34 0.00 0.00 178.44 179.21 2kix h SER 16 N 0.16 -0.35 0.05 1.25 0.02 0.99 0.48 113.55 116.15 2kix h SER 16 Ca -0.04 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2kix h SER 16 Cb 1.41 0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.04 2kix h SER 16 CO 0.13 -0.17 -0.02 0.00 -1.14 0.00 0.00 176.83 175.63 2kix h ALA 17 N 0.15 -0.07 -0.94 3.77 0.00 -1.56 0.16 119.26 120.78 2kix h ALA 17 Ca -0.04 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.94 2kix h ALA 17 Cb 0.38 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 2kix h ALA 17 CO 0.07 -0.47 0.54 1.25 0.00 0.00 0.00 179.25 180.64 2kix h LEU 18 N -0.21 0.70 -0.45 0.00 5.85 -1.40 0.28 115.31 120.07 2kix h LEU 18 Ca -0.01 0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.63 2kix h LEU 18 Cb 0.19 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 2kix h LEU 18 CO 0.01 0.29 -0.61 -0.74 -0.34 0.00 0.00 178.44 177.05 2kix h HIS 19 N 0.75 0.70 0.28 1.25 2.76 -0.47 -0.30 115.15 120.12 2kix h HIS 19 Ca 0.52 -0.27 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 2kix h HIS 19 Cb 0.72 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.56 2kix h HIS 19 CO -0.04 1.02 -0.13 0.35 -1.30 0.00 0.00 177.93 177.82 2kix h PHE 20 N 0.41 -0.35 -0.54 5.26 3.57 0.17 -0.57 116.94 124.89 2kix h PHE 20 Ca -0.01 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2kix h PHE 20 Cb 1.17 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 2kix h PHE 20 CO 0.05 -0.00 0.13 0.97 -2.23 0.00 0.00 178.31 177.23 2kix h ILE 21 N -0.77 1.22 -0.28 1.41 6.09 -0.64 -1.69 117.51 122.86 2kix h ILE 21 Ca -0.04 -0.80 -0.08 0.00 -1.37 0.00 0.00 64.86 62.57 2kix h ILE 21 Cb 0.50 0.67 -0.02 0.00 0.47 0.00 0.00 36.82 38.45 2kix h ILE 21 CO 0.06 0.30 -0.16 0.00 -3.07 0.00 0.00 178.15 175.28 2kix h ALA 22 N 1.35 1.21 -0.16 0.18 0.00 -1.01 -2.18 119.26 118.66 2kix h ALA 22 Ca 0.18 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2kix h ALA 22 Cb 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kix h ALA 22 CO -0.00 0.51 -0.33 2.35 0.00 0.00 0.00 179.25 181.78 2kix h TRP 23 N 0.44 0.63 -0.26 0.00 2.91 -0.48 0.20 115.95 119.39 2kix h TRP 23 Ca 0.08 -0.23 -0.02 0.00 1.13 0.00 0.00 58.89 59.85 2kix h TRP 23 Cb 0.54 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.06 2kix h TRP 23 CO 0.02 0.96 0.08 1.15 -1.03 0.00 0.00 178.44 179.61 2kix h THR 24 N 0.12 1.12 0.00 2.65 2.02 -1.17 -0.23 112.91 117.42 2kix h THR 24 Ca 0.00 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2kix h THR 24 Cb 0.93 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2kix h THR 24 CO 0.07 0.15 -0.24 0.40 0.37 0.00 0.00 175.52 176.27 2kix h ILE 25 N 0.37 0.00 -0.92 3.11 2.04 -1.30 -2.44 117.51 118.36 2kix h ILE 25 Ca 0.09 -0.90 0.20 0.00 1.00 0.00 0.00 64.86 65.25 2kix h ILE 25 Cb 0.13 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.13 2kix h ILE 25 CO -0.01 0.00 0.60 1.23 0.00 0.00 0.00 178.15 179.98 2kix h GLY 26 N -0.90 1.03 0.17 5.37 0.00 -0.65 1.24 103.07 109.33 2kix h GLY 26 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 2kix h GLY 26 CO 0.00 -0.01 -0.17 0.84 0.00 0.00 0.00 176.54 177.20 2kix h HIS 27 N 0.48 0.12 0.21 5.60 -0.00 -1.19 -3.11 115.15 117.25 2kix h HIS 27 Ca 0.49 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.76 2kix h HIS 27 Cb 1.11 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 2kix h HIS 27 CO -0.00 1.05 -0.10 1.25 -0.00 0.00 0.00 177.93 180.13 2kix h LEU 28 N -0.84 -0.23 -1.98 0.26 6.46 -0.88 -2.93 115.31 115.16 2kix h LEU 28 Ca -0.03 -0.27 0.23 0.00 -0.12 0.00 0.00 57.88 57.69 2kix h LEU 28 Cb 1.12 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 41.08 2kix h LEU 28 CO 0.03 0.18 0.60 -0.55 -0.62 0.00 0.00 178.44 178.08 2kix h ASN 29 N -0.70 0.00 0.27 1.25 -1.07 0.14 -0.89 115.58 114.58 2kix h ASN 29 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.33 2kix h ASN 29 Cb 0.49 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.74 2kix h ASN 29 CO 0.05 0.00 -0.13 -0.61 0.07 0.00 0.00 177.43 176.81 2kix h GLN 30 N 0.00 -0.35 -2.28 4.14 5.75 -1.44 0.24 115.11 121.17 2kix h GLN 30 Ca 0.38 0.02 -0.48 0.00 -0.15 0.00 0.00 58.65 58.42 2kix h GLN 30 Cb 1.57 0.08 -0.10 0.00 1.07 0.00 0.00 27.48 30.09 2kix h GLN 30 CO -0.00 -0.08 1.12 1.51 -2.65 0.00 0.00 178.83 178.73 2kix n ILE 31 N -5.14 3.78 0.05 2.39 3.06 -0.34 -4.02 119.36 119.14 2kix n ILE 31 Ca -0.10 -2.76 0.00 0.00 -2.50 0.00 0.00 62.75 57.39 2kix n ILE 31 Cb 0.23 -1.97 0.00 0.00 0.54 0.00 0.00 39.64 38.44 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 1.94 0.00 -0.25 9.51 4.81 -1.16 -5.00 118.16 128.01 2kix n LYS 32 Ca 0.55 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 2kix n LYS 32 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 2kix n LYS 32 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44