#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0p s GLU 3 N 5.87 3.50 0.00 0.00 0.41 -1.26 -4.93 118.70 122.29 1k0p s GLU 3 Ca 0.60 -0.27 0.28 0.00 -0.41 0.00 0.00 54.97 55.16 1k0p s GLU 3 Cb -0.02 -2.65 1.26 0.00 -1.78 0.00 0.00 34.13 30.94 1k0p s GLU 3 CO -0.00 0.14 1.91 -0.85 -0.49 0.00 0.00 175.26 175.96 1k0p n GLU 4 N -1.73 0.15 -0.11 1.61 0.28 -1.26 0.09 120.64 119.67 1k0p n GLU 4 Ca -0.04 0.03 0.01 0.00 -0.16 0.00 0.00 57.16 57.00 1k0p n GLU 4 Cb 0.56 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.98 1k0p n GLU 4 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1k0p n PRO 5 N -1.42 1.48 -0.08 3.44 -0.04 -1.26 -1.97 135.00 135.15 1k0p n PRO 5 Ca 0.09 -0.39 -0.14 0.00 -0.04 0.00 0.00 63.50 63.01 1k0p n PRO 5 Cb 0.28 -1.56 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 1k0p n PRO 5 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1k0p n THR 6 N 0.06 1.29 -0.35 0.52 -1.04 0.11 -4.20 114.28 110.67 1k0p n THR 6 Ca 0.03 -0.03 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1k0p n THR 6 Cb 0.35 -1.97 0.30 0.00 -1.82 0.00 0.00 70.33 67.19 1k0p n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k0p h ARG 8 N 0.78 0.35 -0.97 0.00 2.43 -1.69 1.75 114.38 117.03 1k0p h ARG 8 Ca 0.56 -0.09 0.29 0.00 -0.81 0.00 0.00 59.98 59.92 1k0p h ARG 8 Cb 0.83 -0.04 -0.14 0.00 -0.42 0.00 0.00 29.97 30.19 1k0p h ARG 8 CO -0.37 0.49 0.49 -0.91 -1.51 0.00 0.00 179.97 178.16 1k0p h ASN 9 N 0.15 0.42 0.69 -3.80 4.21 -1.71 -1.82 115.58 113.72 1k0p h ASN 9 Ca 0.07 0.18 -0.18 0.00 1.21 0.00 0.00 56.30 57.58 1k0p h ASN 9 Cb 0.30 0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.62 1k0p h ASN 9 CO 0.00 -0.10 -1.43 -1.14 -1.29 0.00 0.00 177.43 173.48 1k0p n ARG 10 N -5.07 0.62 -0.18 0.81 3.00 0.58 -1.19 116.66 115.24 1k0p n ARG 10 Ca 0.28 0.23 -0.03 0.00 -0.00 0.00 0.00 57.85 58.33 1k0p n ARG 10 Cb 0.86 -1.81 0.07 0.00 0.00 0.00 0.00 32.46 31.58 1k0p n ARG 10 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1k0p h THR 11 N 0.00 0.95 0.65 5.15 2.02 0.26 20.76 112.91 142.70 1k0p h THR 11 Ca -0.17 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 1k0p h THR 11 Cb 1.62 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1k0p h THR 11 CO 0.05 0.10 -0.43 -0.09 0.37 0.00 0.00 175.52 175.52 1k0p h ARG 12 N 0.54 -0.99 -0.74 6.66 1.12 -1.43 -1.83 114.38 117.71 1k0p h ARG 12 Ca 0.25 0.07 0.21 0.00 -1.11 0.00 0.00 59.98 59.40 1k0p h ARG 12 Cb 0.16 0.22 -0.03 0.00 -0.01 0.00 0.00 29.97 30.32 1k0p h ARG 12 CO -0.17 -0.66 0.56 0.45 -3.11 0.00 0.00 179.97 177.04 1k0p h HIS 13 N -1.02 0.00 0.23 2.20 3.86 -1.20 -2.84 115.15 116.37 1k0p h HIS 13 Ca -0.08 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.14 1k0p h HIS 13 Cb 0.84 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.27 1k0p h HIS 13 CO -0.12 0.00 -0.44 1.25 0.86 0.00 0.00 177.93 179.47 1k0p h LEU 14 N 0.00 -1.28 0.00 2.43 5.85 4.91 0.67 115.31 127.89 1k0p h LEU 14 Ca 0.35 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.20 1k0p h LEU 14 Cb 1.47 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.96 1k0p h LEU 14 CO -0.00 -0.54 0.00 -2.65 -0.34 0.00 0.00 178.44 174.91 1k0p n PRO 15 N -5.49 0.00 -0.40 5.25 -0.02 -0.74 -1.75 135.00 131.85 1k0p n PRO 15 Ca -0.09 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1k0p n PRO 15 Cb 0.40 -1.32 -0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1k0p n PRO 15 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1k0p n LEU 16 N -0.78 4.15 -4.28 2.45 0.00 0.24 -4.95 117.00 113.82 1k0p n LEU 16 Ca 0.00 -1.89 -0.43 0.00 0.00 0.00 0.00 56.01 53.68 1k0p n LEU 16 Cb 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 43.42 42.54 1k0p n LEU 16 CO 0.00 0.80 1.66 0.00 0.00 0.00 0.00 177.39 179.84 1k0p n GLN 17 N 1.64 3.41 0.33 1.96 10.64 -0.72 -4.48 117.38 130.17 1k0p n GLN 17 Ca 0.01 -3.67 0.20 0.00 -1.83 0.00 0.00 57.00 51.72 1k0p n GLN 17 Cb 0.40 -3.05 1.09 0.00 -0.86 0.00 0.00 30.24 27.82 1k0p n GLN 17 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.06 175.97 1k0p h PHE 18 N 6.72 0.00 -3.14 2.61 -1.00 -1.92 -3.45 116.94 116.76 1k0p h PHE 18 Ca 0.36 0.00 -0.61 0.00 2.81 0.00 0.00 57.97 60.53 1k0p h PHE 18 Cb 0.79 0.00 -0.35 0.00 3.61 0.00 0.00 35.95 40.00 1k0p h PHE 18 CO 1.18 0.00 -0.84 -1.12 -1.61 0.00 0.00 178.31 175.93 1k0p s SER 19 N -5.07 2.73 -1.21 2.17 0.01 -1.26 -4.92 113.70 106.15 1k0p s SER 19 Ca -0.05 -0.51 -0.06 0.00 1.31 0.00 0.00 55.95 56.65 1k0p s SER 19 Cb 0.12 -1.22 0.21 0.00 0.21 0.00 0.00 66.02 65.34 1k0p s SER 19 CO 0.39 -0.03 1.92 -1.14 0.41 0.00 0.00 173.24 174.79 1k0p n ARG 20 N 4.60 4.37 -2.16 12.44 3.00 -1.26 -4.45 116.66 133.19 1k0p n ARG 20 Ca -0.18 -3.92 0.00 0.00 -0.00 0.00 0.00 57.85 53.75 1k0p n ARG 20 Cb 0.50 -2.68 0.00 0.00 0.00 0.00 0.00 32.46 30.28 1k0p n ARG 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1k0p n THR 21 N 1.91 0.00 -1.28 5.15 -2.24 -1.26 -4.95 114.28 111.61 1k0p n THR 21 Ca 0.44 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 62.24 1k0p n THR 21 Cb 0.31 -2.10 0.21 0.00 -2.10 0.00 0.00 70.33 66.65 1k0p n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k0p n GLY 22 N -0.80 4.66 3.03 3.38 0.00 -1.26 -4.64 105.19 109.56 1k0p n GLY 22 Ca 0.00 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 1k0p n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1k0p s PRO 23 N -3.08 2.15 -0.21 1.61 0.04 -1.26 -4.79 135.00 129.47 1k0p s PRO 23 Ca 0.42 -0.52 -0.08 0.00 0.04 0.00 0.00 61.00 60.85 1k0p s PRO 23 Cb 0.37 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 33.10 1k0p s PRO 23 CO 0.02 -0.12 0.46 -0.51 0.04 0.00 0.00 177.00 176.89 1k0p s LEU 24 N 1.16 -0.56 0.00 -3.56 2.01 -1.26 -4.23 118.68 112.25 1k0p s LEU 24 Ca -0.03 1.05 0.23 0.00 0.01 0.00 0.00 54.13 55.40 1k0p s LEU 24 Cb -0.14 1.51 0.43 0.00 0.01 0.00 0.00 46.19 48.00 1k0p s LEU 24 CO -0.04 -0.22 1.40 0.00 1.01 0.00 0.00 176.35 178.50 1k0p n PRO 26 N 1.27 0.75 -0.09 0.00 -0.05 -1.26 -1.58 135.00 134.05 1k0p n PRO 26 Ca 0.18 0.00 0.04 0.00 -0.05 0.00 0.00 63.50 63.67 1k0p n PRO 26 Cb 0.56 -1.35 0.15 0.00 -0.05 0.00 0.00 33.50 32.81 1k0p n PRO 26 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1k0p n ALA 27 N 0.08 2.48 -2.64 0.55 0.00 -1.26 -5.01 120.51 114.71 1k0p n ALA 27 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 1k0p n ALA 27 Cb 0.18 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 1k0p n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k0p n MET 29 N 5.16 1.78 -5.19 0.00 0.00 -1.26 -5.10 117.12 112.52 1k0p n MET 29 Ca 0.09 -4.15 -0.32 0.00 0.00 0.00 0.00 57.70 53.33 1k0p n MET 29 Cb 0.48 -1.94 -0.15 0.00 0.00 0.00 0.00 33.22 31.61 1k0p n MET 29 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1k0p s LYS 30 N -1.82 2.31 0.00 3.17 3.01 -1.26 -5.07 119.74 120.08 1k0p s LYS 30 Ca 0.36 -0.86 0.00 0.00 -1.01 0.00 0.00 55.97 54.46 1k0p s LYS 30 Cb 0.12 -2.16 0.00 0.00 -1.01 0.00 0.00 37.83 34.78 1k0p s LYS 30 CO -0.07 0.54 0.00 0.00 0.51 0.00 0.00 175.35 176.33