#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiw s LYS 2 N 0.00 4.33 0.61 0.03 2.20 -1.26 -5.00 119.74 120.66 3kiw s LYS 2 Ca 0.00 2.14 0.08 0.00 -0.36 0.00 0.00 55.97 57.82 3kiw s LYS 2 Cb 0.00 -3.18 0.10 0.00 -1.51 0.00 0.00 37.83 33.24 3kiw s LYS 2 CO 0.00 -0.35 0.85 1.03 -0.36 0.00 0.00 175.35 176.51 3kiw s ARG 3 N 0.16 2.14 0.22 4.03 1.81 -1.26 -5.02 118.95 121.03 3kiw s ARG 3 Ca 0.60 -1.56 -0.09 0.00 -1.72 0.00 0.00 55.73 52.96 3kiw s ARG 3 Cb -0.38 -2.58 0.20 0.00 -0.45 0.00 0.00 34.95 31.74 3kiw s ARG 3 CO 0.37 -1.02 1.88 1.79 -0.68 0.00 0.00 175.30 177.65 3kiw h THR 4 N 0.01 1.17 -3.54 0.02 1.35 -2.10 -3.42 112.91 106.40 3kiw h THR 4 Ca -0.31 -0.36 -0.62 0.00 -0.55 0.00 0.00 66.41 64.57 3kiw h THR 4 Cb 1.28 0.04 -0.13 0.00 -1.73 0.00 0.00 68.15 67.62 3kiw h THR 4 CO 0.40 0.19 0.20 0.86 -0.25 0.00 0.00 175.52 176.92 3kiw s TRP 5 N -6.12 3.16 -0.55 4.73 -0.11 -1.26 -4.98 118.94 113.81 3kiw s TRP 5 Ca -0.13 0.47 0.05 0.00 1.22 0.00 0.00 56.10 57.71 3kiw s TRP 5 Cb 0.16 -3.16 0.20 0.00 -1.50 0.00 0.00 33.47 29.17 3kiw s TRP 5 CO 0.78 -0.61 0.51 1.04 -4.62 0.00 0.00 176.95 174.06 3kiw n GLN 6 N 6.09 1.30 -1.19 5.86 1.13 -1.26 -5.10 117.38 124.20 3kiw n GLN 6 Ca -0.00 -3.91 -0.46 0.00 -1.94 0.00 0.00 57.00 50.69 3kiw n GLN 6 Cb 0.49 -1.90 -0.06 0.00 0.11 0.00 0.00 30.24 28.88 3kiw n GLN 6 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3kiw n PRO 7 N 1.87 0.00 -3.24 -1.09 -0.04 -1.26 -4.99 135.00 126.25 3kiw n PRO 7 Ca 0.25 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.69 3kiw n PRO 7 Cb 0.43 -1.13 -0.04 0.00 -0.04 0.00 0.00 33.50 32.72 3kiw n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3kiw s ASN 8 N -0.16 -0.62 0.16 3.54 3.04 -1.26 -5.07 114.94 114.56 3kiw s ASN 8 Ca 0.69 0.57 -0.16 0.00 0.04 0.00 0.00 52.86 54.00 3kiw s ASN 8 Cb -0.97 1.67 0.07 0.00 -1.54 0.00 0.00 41.25 40.48 3kiw s ASN 8 CO 0.46 -0.28 1.74 0.03 -3.04 0.00 0.00 177.10 176.01 3kiw h ARG 9 N 8.09 0.22 -0.07 0.43 3.08 -1.96 -0.89 114.38 123.26 3kiw h ARG 9 Ca -0.21 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.85 3kiw h ARG 9 Cb 1.16 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 3kiw h ARG 9 CO 0.27 0.14 -0.10 -0.09 -1.07 0.00 0.00 179.97 179.12 3kiw h ARG 10 N 0.22 -0.12 0.10 0.04 2.43 -1.99 -1.55 114.38 113.51 3kiw h ARG 10 Ca 0.17 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3kiw h ARG 10 Cb 0.17 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 3kiw h ARG 10 CO -0.20 -0.08 -0.47 -0.22 -1.51 0.00 0.00 179.97 177.49 3kiw h LYS 11 N -0.13 -0.64 -0.73 0.20 1.63 -1.90 0.68 116.57 115.68 3kiw h LYS 11 Ca 0.06 0.04 0.16 0.00 -0.85 0.00 0.00 60.65 60.07 3kiw h LYS 11 Cb 0.22 0.15 -0.13 0.00 -0.60 0.00 0.00 32.23 31.87 3kiw h LYS 11 CO -0.15 -0.43 0.02 -0.09 -3.45 0.00 0.00 179.45 175.35 3kiw h ARG 12 N -0.67 0.11 -0.13 1.90 2.43 -0.92 0.33 114.38 117.44 3kiw h ARG 12 Ca -0.00 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3kiw h ARG 12 Cb 0.67 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3kiw h ARG 12 CO -0.26 0.08 -0.20 0.00 -1.51 0.00 0.00 179.97 178.07 3kiw h ALA 13 N 1.68 0.21 -0.27 2.80 0.00 -1.01 -1.08 119.26 121.59 3kiw h ALA 13 Ca 0.40 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kiw h ALA 13 Cb 0.70 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kiw h ALA 13 CO -0.63 0.14 0.06 0.87 0.00 0.00 0.00 179.25 179.70 3kiw h LYS 14 N -0.02 0.38 0.00 0.00 1.57 0.16 0.65 116.57 119.31 3kiw h LYS 14 Ca 0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3kiw h LYS 14 Cb 0.77 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 3kiw h LYS 14 CO 0.05 0.36 -0.18 1.15 -0.57 0.00 0.00 179.45 180.25 3kiw h THR 15 N 0.38 1.09 -0.40 -0.16 2.02 -0.32 -3.39 112.91 112.12 3kiw h THR 15 Ca 0.09 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.40 3kiw h THR 15 Cb 0.15 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 3kiw h THR 15 CO -0.00 0.37 0.00 1.41 0.37 0.00 0.00 175.52 177.66 3kiw n HIS 16 N -4.64 0.66 -1.39 3.16 8.25 -0.41 -4.83 115.22 116.02 3kiw n HIS 16 Ca -0.10 -0.56 -0.35 0.00 -0.26 0.00 0.00 57.72 56.45 3kiw n HIS 16 Cb 0.36 -0.08 0.10 0.00 1.12 0.00 0.00 29.99 31.49 3kiw n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kiw n GLY 17 N 0.54 0.14 0.26 -1.41 0.00 0.23 -4.48 105.19 100.46 3kiw n GLY 17 Ca 0.15 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.85 3kiw n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kiw h PHE 18 N -0.23 0.57 0.12 1.61 3.57 -1.95 0.31 116.94 120.94 3kiw h PHE 18 Ca -0.48 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 3kiw h PHE 18 Cb 1.32 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 3kiw h PHE 18 CO 0.43 0.20 -0.09 0.00 -2.23 0.00 0.00 178.31 176.62 3kiw h ARG 19 N 0.55 -0.21 -0.05 1.11 3.08 -1.90 -2.40 114.38 114.55 3kiw h ARG 19 Ca 0.33 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.43 3kiw h ARG 19 Cb 0.35 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 3kiw h ARG 19 CO -0.27 -0.14 -0.16 0.00 -1.07 0.00 0.00 179.97 178.33 3kiw h ALA 20 N 0.65 -0.15 -0.97 0.04 0.00 -1.67 -1.26 119.26 115.89 3kiw h ALA 20 Ca -0.00 0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.18 3kiw h ALA 20 Cb 0.20 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 3kiw h ALA 20 CO -0.01 -0.64 0.65 0.00 0.00 0.00 0.00 179.25 179.25 3kiw h ARG 21 N -0.24 0.26 -0.01 0.00 2.47 -0.81 -1.24 114.38 114.80 3kiw h ARG 21 Ca 0.07 -0.02 -0.15 0.00 -1.26 0.00 0.00 59.98 58.62 3kiw h ARG 21 Cb 0.34 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.58 3kiw h ARG 21 CO -0.20 0.17 -0.71 0.52 0.56 0.00 0.00 179.97 180.32 3kiw h MET 22 N 0.27 0.07 -0.47 0.04 2.86 -0.71 -0.46 114.93 116.54 3kiw h MET 22 Ca 0.50 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 58.05 3kiw h MET 22 Cb 1.49 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.15 3kiw h MET 22 CO -0.16 0.75 0.14 0.00 1.06 0.00 0.00 176.91 178.70 3kiw h ARG 23 N 0.05 0.73 -6.33 1.72 3.08 -0.94 -3.43 114.38 109.25 3kiw h ARG 23 Ca -0.01 -0.16 -0.56 0.00 0.07 0.00 0.00 59.98 59.32 3kiw h ARG 23 Cb 1.25 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.16 3kiw h ARG 23 CO 0.10 0.70 -0.07 -0.08 -1.07 0.00 0.00 179.97 179.54 3kiw s THR 24 N -5.39 4.83 0.30 2.04 -1.32 -1.24 -4.97 115.64 109.89 3kiw s THR 24 Ca -0.13 0.89 0.06 0.00 -1.21 0.00 0.00 61.69 61.30 3kiw s THR 24 Cb 0.11 -3.75 0.05 0.00 -1.51 0.00 0.00 72.50 67.39 3kiw s THR 24 CO 0.78 0.27 1.72 1.55 -2.21 0.00 0.00 174.62 176.72 3kiw h PRO 25 N 3.63 0.28 -0.82 7.08 0.13 -1.86 -0.01 132.00 140.42 3kiw h PRO 25 Ca -0.49 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 64.48 3kiw h PRO 25 Cb 1.19 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 3kiw h PRO 25 CO 0.65 0.61 0.35 0.78 -0.23 0.00 0.00 178.00 180.17 3kiw h GLY 26 N 1.15 1.30 0.96 1.56 0.00 -1.93 -2.02 103.07 104.08 3kiw h GLY 26 Ca 0.03 -0.69 -0.10 0.00 0.00 0.00 0.00 47.33 46.57 3kiw h GLY 26 CO 0.06 0.65 -0.17 -1.33 0.00 0.00 0.00 176.54 175.74 3kiw h GLY 27 N 1.19 0.77 0.42 4.60 0.00 -1.52 -2.61 103.07 105.91 3kiw h GLY 27 Ca 0.28 -0.70 0.14 0.00 0.00 0.00 0.00 47.33 47.05 3kiw h GLY 27 CO -0.03 0.63 0.62 3.21 0.00 0.00 0.00 176.54 180.97 3kiw h ARG 28 N 0.48 0.86 -0.62 4.80 3.08 0.74 0.51 114.38 124.22 3kiw h ARG 28 Ca 0.07 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3kiw h ARG 28 Cb 0.71 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3kiw h ARG 28 CO 0.05 0.57 0.22 0.87 -1.07 0.00 0.00 179.97 180.61 3kiw h LYS 29 N 0.88 0.95 -0.11 0.04 1.79 -1.11 0.09 116.57 119.11 3kiw h LYS 29 Ca 0.50 -0.19 0.04 0.00 -2.18 0.00 0.00 60.65 58.82 3kiw h LYS 29 Cb 0.62 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 31.07 3kiw h LYS 29 CO -0.27 0.83 -0.23 0.28 -1.08 0.00 0.00 179.45 178.98 3kiw h VAL 30 N 0.88 0.45 -0.04 0.50 2.07 -0.56 1.76 116.25 121.32 3kiw h VAL 30 Ca 0.20 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.76 3kiw h VAL 30 Cb 0.26 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3kiw h VAL 30 CO -0.01 0.00 -0.26 -0.07 0.02 0.00 0.00 177.57 177.25 3kiw h LEU 31 N -0.30 -0.77 0.16 2.57 3.38 -1.00 0.16 115.31 119.51 3kiw h LEU 31 Ca 0.10 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.19 3kiw h LEU 31 Cb 0.44 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 3kiw h LEU 31 CO -0.29 -0.32 -0.39 0.50 0.09 0.00 0.00 178.44 178.04 3kiw h LYS 32 N -0.37 -0.62 -0.77 1.13 3.64 0.06 -0.64 116.57 119.00 3kiw h LYS 32 Ca 0.07 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.65 3kiw h LYS 32 Cb 0.48 0.14 -0.14 0.00 -0.41 0.00 0.00 32.23 32.29 3kiw h LYS 32 CO -0.25 -0.41 -0.16 -0.09 -2.27 0.00 0.00 179.45 176.27 3kiw h ARG 33 N -0.65 0.01 0.54 1.90 2.43 0.33 0.21 114.38 119.16 3kiw h ARG 33 Ca 0.02 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3kiw h ARG 33 Cb 0.66 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3kiw h ARG 33 CO -0.20 0.01 -0.26 0.00 -1.51 0.00 0.00 179.97 178.01 3kiw h ARG 34 N 0.01 -0.70 -0.85 0.20 3.08 -0.09 -1.17 114.38 114.87 3kiw h ARG 34 Ca 0.38 0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.60 3kiw h ARG 34 Cb 0.60 0.16 -0.14 0.00 0.08 0.00 0.00 29.97 30.67 3kiw h ARG 34 CO -0.77 -0.47 -0.41 0.00 -1.07 0.00 0.00 179.97 177.25 3kiw h ARG 35 N -0.80 -0.07 -0.67 0.04 3.08 -0.75 1.15 114.38 116.35 3kiw h ARG 35 Ca -0.07 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.11 3kiw h ARG 35 Cb 0.56 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 30.50 3kiw h ARG 35 CO 0.12 -0.05 -0.18 0.37 -1.07 0.00 0.00 179.97 179.17 3kiw h GLN 36 N -0.07 -0.01 -0.70 0.04 -0.00 -0.94 0.51 115.11 113.93 3kiw h GLN 36 Ca 0.27 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.87 3kiw h GLN 36 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.01 3kiw h GLN 36 CO -0.87 -0.01 0.23 -0.22 0.00 0.00 0.00 178.83 177.96 3kiw h LYS 37 N -0.01 1.07 0.00 1.69 3.64 0.25 -3.47 116.57 119.74 3kiw h LYS 37 Ca 0.32 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3kiw h LYS 37 Cb 0.50 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3kiw h LYS 37 CO -0.70 0.91 0.00 0.41 -2.27 0.00 0.00 179.45 177.80 3kiw n GLY 38 N -0.83 1.70 3.73 5.01 0.00 0.91 -5.09 105.19 110.62 3kiw n GLY 38 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3kiw n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kiw s ARG 39 N -0.29 2.15 0.14 1.61 1.81 -1.22 -4.93 118.95 118.22 3kiw s ARG 39 Ca 0.00 1.69 0.18 0.00 -1.72 0.00 0.00 55.73 55.88 3kiw s ARG 39 Cb 0.00 -1.84 -0.06 0.00 -0.45 0.00 0.00 34.95 32.60 3kiw s ARG 39 CO 0.00 -1.81 1.00 -1.49 -0.68 0.00 0.00 175.30 172.32 3kiw h TRP 40 N -0.37 0.00 -3.38 -0.53 4.06 -1.99 -3.44 115.95 110.30 3kiw h TRP 40 Ca -0.47 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 59.89 3kiw h TRP 40 Cb 1.29 0.00 -0.37 0.00 -1.00 0.00 0.00 29.16 29.07 3kiw h TRP 40 CO 0.48 0.41 -0.80 1.03 -3.56 0.00 0.00 178.44 176.01 3kiw s ARG 41 N -3.04 1.72 0.26 0.49 3.00 -1.26 -4.97 118.95 115.15 3kiw s ARG 41 Ca -0.01 -0.69 0.08 0.00 0.00 0.00 0.00 55.73 55.11 3kiw s ARG 41 Cb 0.09 -2.23 0.30 0.00 0.00 0.00 0.00 34.95 33.11 3kiw s ARG 41 CO 0.79 -0.44 1.58 -0.07 0.00 0.00 0.00 175.30 177.17 3kiw h LEU 42 N 8.04 0.09 -8.96 2.53 3.38 -1.97 -3.45 115.31 114.98 3kiw h LEU 42 Ca -0.26 -0.06 -0.64 0.00 0.09 0.00 0.00 57.88 57.02 3kiw h LEU 42 Cb 1.10 -0.03 -0.19 0.00 0.09 0.00 0.00 40.66 41.63 3kiw h LEU 42 CO 0.44 0.70 -0.83 -0.89 0.09 0.00 0.00 178.44 177.95 3kiw s THR 43 N -3.63 2.22 0.13 0.22 2.01 -1.26 -4.90 115.64 110.43 3kiw s THR 43 Ca -0.02 -1.93 -0.33 0.00 0.31 0.00 0.00 61.69 59.72 3kiw s THR 43 Cb 0.12 -2.03 -0.12 0.00 0.01 0.00 0.00 72.50 70.49 3kiw s THR 43 CO 0.78 -0.10 1.73 -2.65 -0.69 0.00 0.00 174.62 173.69 3kiw n PRO 44 N 0.45 2.50 -2.51 4.92 -0.02 -1.26 -4.92 135.00 134.16 3kiw n PRO 44 Ca -0.14 0.91 -0.40 0.00 -2.02 0.00 0.00 63.50 61.84 3kiw n PRO 44 Cb 0.55 -2.74 -0.04 0.00 -0.02 0.00 0.00 33.50 31.24 3kiw n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kiw s ALA 45 N 1.94 3.40 -0.30 3.55 0.00 -1.26 -4.98 121.76 124.10 3kiw s ALA 45 Ca 0.81 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 53.46 3kiw s ALA 45 Cb -0.58 -3.31 0.18 0.00 0.00 0.00 0.00 23.12 19.41 3kiw s ALA 45 CO 0.38 -0.12 1.17 0.08 0.00 0.00 0.00 175.76 177.28 3kiw s VAL 46 N -1.13 -0.21 -2.55 0.00 1.01 -1.26 -5.14 120.40 111.11 3kiw s VAL 46 Ca 0.44 0.00 0.20 0.00 0.00 0.00 0.00 61.98 62.63 3kiw s VAL 46 Cb -0.31 -1.00 0.16 0.00 0.00 0.00 0.00 36.38 35.23 3kiw s VAL 46 CO 0.40 0.00 1.15 -2.11 0.00 0.00 0.00 175.10 174.53