#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkl s SER 2 N 0.00 -1.45 0.33 1.61 0.15 -1.26 -5.16 113.70 107.91 2dkl s SER 2 Ca 0.00 0.63 -0.02 0.00 0.70 0.00 0.00 55.95 57.26 2dkl s SER 2 Cb 0.00 2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 66.38 2dkl s SER 2 CO 0.00 -0.27 0.56 -0.94 1.20 0.00 0.00 173.24 173.79 2dkl s SER 3 N 2.85 6.36 1.01 5.45 1.04 -1.26 -5.06 113.70 124.08 2dkl s SER 3 Ca 0.17 0.60 -0.14 0.00 0.48 0.00 0.00 55.95 57.06 2dkl s SER 3 Cb -0.13 -2.09 0.09 0.00 0.10 0.00 0.00 66.02 63.98 2dkl s SER 3 CO -0.23 -0.27 0.43 0.61 0.98 0.00 0.00 173.24 174.77 2dkl n GLY 4 N -1.43 -1.95 3.54 7.32 0.00 -1.26 -5.04 105.19 106.36 2dkl n GLY 4 Ca -0.03 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 2dkl n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkl s SER 5 N -2.07 -0.66 0.26 1.61 1.04 -1.26 -5.18 113.70 107.44 2dkl s SER 5 Ca 0.59 1.04 0.09 0.00 0.48 0.00 0.00 55.95 58.14 2dkl s SER 5 Cb -0.19 0.99 -0.04 0.00 0.10 0.00 0.00 66.02 66.88 2dkl s SER 5 CO 0.66 -0.39 0.07 -0.55 0.98 0.00 0.00 173.24 174.00 2dkl s SER 6 N -0.34 4.91 0.00 7.02 0.15 -1.26 -5.13 113.70 119.04 2dkl s SER 6 Ca -0.05 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.10 2dkl s SER 6 Cb -0.03 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 2dkl s SER 6 CO 0.05 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2dkl n GLY 7 N -0.99 4.59 3.85 9.45 0.00 -1.26 -5.15 105.19 115.67 2dkl n GLY 7 Ca -0.07 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 2dkl n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dkl s GLY 8 N -0.16 2.44 0.28 -0.02 0.00 -1.26 -5.09 107.32 103.51 2dkl s GLY 8 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 44.72 44.54 2dkl s GLY 8 CO 0.00 0.07 -0.06 -3.16 0.00 0.00 0.00 173.10 169.94 2dkl s MET 9 N -1.38 1.57 0.33 2.90 0.00 -1.26 -5.16 119.30 116.30 2dkl s MET 9 Ca 0.27 -1.79 -0.08 0.00 0.00 0.00 0.00 55.69 54.09 2dkl s MET 9 Cb -0.16 -1.20 0.01 0.00 0.00 0.00 0.00 34.83 33.49 2dkl s MET 9 CO 0.15 0.05 0.56 0.15 0.00 0.00 0.00 175.02 175.93 2dkl s LYS 10 N -3.72 1.90 0.30 3.16 1.02 -1.26 -5.19 119.74 115.96 2dkl s LYS 10 Ca 0.30 -1.55 0.03 0.00 0.02 0.00 0.00 55.97 54.77 2dkl s LYS 10 Cb 0.03 0.50 -0.04 0.00 -0.52 0.00 0.00 37.83 37.80 2dkl s LYS 10 CO 0.12 -0.82 0.16 0.95 -0.92 0.00 0.00 175.35 174.84 2dkl s THR 11 N -3.11 0.33 -0.22 2.17 -4.23 -1.26 -5.09 115.64 104.23 2dkl s THR 11 Ca 0.25 -2.00 -0.37 0.00 -1.18 0.00 0.00 61.69 58.39 2dkl s THR 11 Cb -0.02 -2.52 -0.13 0.00 1.34 0.00 0.00 72.50 71.17 2dkl s THR 11 CO 0.15 0.00 1.86 -0.24 -0.54 0.00 0.00 174.62 175.86 2dkl n SER 12 N -0.91 2.78 -4.52 3.99 2.88 -1.26 -4.91 113.62 111.67 2dkl n SER 12 Ca 0.01 0.94 -0.30 0.00 -1.33 0.00 0.00 58.87 58.20 2dkl n SER 12 Cb 0.65 -1.25 0.22 0.00 -0.75 0.00 0.00 64.21 63.08 2dkl n SER 12 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkl n GLY 13 N 4.61 -1.51 2.96 0.46 0.00 -1.26 -4.85 105.19 105.60 2dkl n GLY 13 Ca 0.27 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 2dkl n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dkl n LYS 14 N -4.42 0.00 -3.04 1.61 5.02 -1.26 -4.83 118.16 111.25 2dkl n LYS 14 Ca 0.06 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.90 2dkl n LYS 14 Cb 0.54 -0.89 -0.02 0.00 -0.02 0.00 0.00 35.03 34.64 2dkl n LYS 14 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2dkl s GLN 15 N -0.89 3.59 -0.15 1.97 -1.52 -1.26 -4.99 119.66 116.41 2dkl s GLN 15 Ca 0.54 -1.93 0.02 0.00 -1.95 0.00 0.00 55.36 52.03 2dkl s GLN 15 Cb -0.65 -4.77 0.02 0.00 -0.22 0.00 0.00 33.01 27.39 2dkl s GLN 15 CO 0.54 -1.64 -0.19 -0.51 -0.25 0.00 0.00 175.29 173.24 2dkl s ASP 16 N 3.24 2.93 0.55 5.90 1.11 -1.26 -4.99 116.67 124.15 2dkl s ASP 16 Ca 0.28 -0.57 0.32 0.00 0.18 0.00 0.00 52.55 52.77 2dkl s ASP 16 Cb -0.07 -1.35 1.48 0.00 1.07 0.00 0.00 42.92 44.06 2dkl s ASP 16 CO -0.09 0.03 1.86 -0.33 1.18 0.00 0.00 175.17 177.81 2dkl h GLU 17 N 7.61 0.00 0.17 8.23 3.07 -1.99 -2.05 114.58 129.63 2dkl h GLU 17 Ca -0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 2dkl h GLU 17 Cb 1.17 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.04 2dkl h GLU 17 CO 0.56 0.00 -0.41 0.00 -1.40 0.00 0.00 179.01 177.76 2dkl h ALA 18 N 1.48 -0.95 -0.57 3.43 0.00 -2.00 0.24 119.26 120.89 2dkl h ALA 18 Ca 0.43 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.28 2dkl h ALA 18 Cb 1.79 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 20.30 2dkl h ALA 18 CO -0.00 -1.03 0.38 0.11 0.00 0.00 0.00 179.25 178.70 2dkl h TRP 19 N -0.64 0.58 -0.60 0.00 5.08 -1.79 -1.88 115.95 116.70 2dkl h TRP 19 Ca -0.02 0.01 -0.05 0.00 1.08 0.00 0.00 58.89 59.92 2dkl h TRP 19 Cb 0.62 -0.19 -0.03 0.00 -3.00 0.00 0.00 29.16 26.56 2dkl h TRP 19 CO -0.37 0.32 0.18 0.82 -1.28 0.00 0.00 178.44 178.11 2dkl h ILE 20 N 0.59 1.25 -0.99 0.12 2.04 -1.15 -2.94 117.51 116.42 2dkl h ILE 20 Ca 0.24 -0.85 0.34 0.00 1.00 0.00 0.00 64.86 65.59 2dkl h ILE 20 Cb 0.21 0.66 -0.18 0.00 -0.74 0.00 0.00 36.82 36.77 2dkl h ILE 20 CO -0.07 0.32 0.29 -0.03 0.00 0.00 0.00 178.15 178.66 2dkl h MET 21 N 0.86 0.02 -0.09 2.37 4.05 0.31 0.46 114.93 122.90 2dkl h MET 21 Ca 0.19 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.64 2dkl h MET 21 Cb 0.31 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 2dkl h MET 21 CO -0.00 0.01 -0.12 1.03 0.23 0.00 0.00 176.91 178.06 2dkl h SER 22 N 0.02 -0.36 -0.83 1.39 0.87 -1.62 -2.72 113.55 110.30 2dkl h SER 22 Ca 0.72 0.07 0.11 0.00 -1.23 0.00 0.00 61.79 61.46 2dkl h SER 22 Cb 1.72 0.17 -0.12 0.00 -0.44 0.00 0.00 62.40 63.73 2dkl h SER 22 CO -0.84 -0.16 -0.38 0.54 -0.53 0.00 0.00 176.83 175.46 2dkl n ARG 23 N -5.26 -0.25 -0.14 2.24 1.74 0.16 0.21 116.66 115.36 2dkl n ARG 23 Ca -0.04 1.27 0.01 0.00 -0.77 0.00 0.00 57.85 58.32 2dkl n ARG 23 Cb 0.18 -1.88 0.28 0.00 -1.02 0.00 0.00 32.46 30.02 2dkl n ARG 23 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2dkl h LEU 24 N 0.00 0.73 0.14 0.55 3.38 -1.51 -2.87 115.31 115.73 2dkl h LEU 24 Ca 0.24 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2dkl h LEU 24 Cb 0.44 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2dkl h LEU 24 CO -0.81 0.58 -0.07 0.40 0.09 0.00 0.00 178.44 178.63 2dkl h ILE 25 N 0.84 0.97 -0.75 1.22 1.08 0.27 -3.00 117.51 118.14 2dkl h ILE 25 Ca 0.22 -0.45 0.28 0.00 -0.39 0.00 0.00 64.86 64.52 2dkl h ILE 25 Cb -0.01 1.25 -0.14 0.00 -3.07 0.00 0.00 36.82 34.85 2dkl h ILE 25 CO -0.04 0.11 0.27 1.17 -0.69 0.00 0.00 178.15 178.96 2dkl n LYS 26 N -5.07 -0.05 0.19 2.37 3.00 0.77 -0.38 118.16 118.98 2dkl n LYS 26 Ca -0.09 1.07 -0.08 0.00 -0.00 0.00 0.00 58.31 59.22 2dkl n LYS 26 Cb 0.18 -1.84 -0.04 0.00 0.00 0.00 0.00 35.03 33.33 2dkl n LYS 26 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2dkl h GLN 27 N 0.00 -0.47 -1.06 1.64 1.08 -1.60 -1.40 115.11 113.30 2dkl h GLN 27 Ca 0.57 0.03 0.29 0.00 -1.45 0.00 0.00 58.65 58.10 2dkl h GLN 27 Cb 1.42 0.11 -0.12 0.00 -0.05 0.00 0.00 27.48 28.84 2dkl h GLN 27 CO -0.62 -0.32 0.65 -0.07 -0.95 0.00 0.00 178.83 177.52 2dkl h LEU 28 N -0.64 0.50 -0.91 1.46 4.07 -0.72 0.77 115.31 119.83 2dkl h LEU 28 Ca -0.05 0.13 -0.11 0.00 0.08 0.00 0.00 57.88 57.93 2dkl h LEU 28 Cb 0.38 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 2dkl h LEU 28 CO 0.08 0.01 -0.44 0.71 -1.08 0.00 0.00 178.44 177.72 2dkl h THR 29 N 0.39 1.32 -0.27 0.22 1.35 -0.68 -2.79 112.91 112.46 2dkl h THR 29 Ca 0.67 -1.60 -0.13 0.00 -0.55 0.00 0.00 66.41 64.80 2dkl h THR 29 Cb 1.60 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 69.76 2dkl h THR 29 CO -0.43 0.47 -0.39 -2.24 -0.25 0.00 0.00 175.52 172.69 2dkl h ASP 30 N 0.18 0.65 0.40 5.36 3.04 0.17 -3.32 116.42 122.90 2dkl h ASP 30 Ca 0.01 -0.28 -0.02 0.00 -3.24 0.00 0.00 57.03 53.50 2dkl h ASP 30 Cb 0.86 -0.18 0.00 0.00 -1.04 0.00 0.00 39.33 38.97 2dkl h ASP 30 CO 0.07 0.97 -0.19 0.24 -2.04 0.00 0.00 179.24 178.28 2dkl h MET 31 N 0.51 -0.52 0.00 4.15 2.86 -1.15 -3.47 114.93 117.31 2dkl h MET 31 Ca 0.05 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2dkl h MET 31 Cb 0.89 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2dkl h MET 31 CO 0.08 -0.35 0.00 0.41 1.06 0.00 0.00 176.91 178.11 2dkl n GLY 32 N -0.76 0.00 3.09 8.32 0.00 -1.13 -5.13 105.19 109.57 2dkl n GLY 32 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 2dkl n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dkl s PHE 33 N 0.00 0.97 0.66 1.61 0.08 -1.07 -5.06 117.98 115.17 2dkl s PHE 33 Ca 0.00 -0.33 -0.15 0.00 0.12 0.00 0.00 56.93 56.57 2dkl s PHE 33 Cb 0.00 -0.58 -0.00 0.00 -0.57 0.00 0.00 43.02 41.87 2dkl s PHE 33 CO 0.00 -0.00 1.11 -1.25 -0.10 0.00 0.00 175.22 174.98 2dkl s PRO 34 N -1.01 2.81 0.52 0.24 0.04 -1.26 -3.88 135.00 132.45 2dkl s PRO 34 Ca -0.01 1.39 0.30 0.00 0.04 0.00 0.00 61.00 62.73 2dkl s PRO 34 Cb -0.07 -1.95 1.22 0.00 0.04 0.00 0.00 34.50 33.74 2dkl s PRO 34 CO 0.01 -1.24 1.93 0.07 0.04 0.00 0.00 177.00 177.81 2dkl h ARG 35 N 0.04 0.00 -0.04 4.56 0.11 -1.96 -3.10 114.38 113.99 2dkl h ARG 35 Ca -0.47 0.00 0.01 0.00 0.10 0.00 0.00 59.98 59.63 2dkl h ARG 35 Cb 1.25 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.29 2dkl h ARG 35 CO 0.54 0.07 -0.31 0.93 0.10 0.00 0.00 179.97 181.30 2dkl h GLU 36 N 0.00 -0.35 0.05 0.08 5.08 -1.99 0.13 114.58 117.58 2dkl h GLU 36 Ca -0.00 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dkl h GLU 36 Cb 0.58 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2dkl h GLU 36 CO 0.01 -0.23 -0.02 -1.00 -1.00 0.00 0.00 179.01 176.76 2dkl h PRO 37 N -0.36 -0.06 -0.70 2.33 0.13 -1.97 -2.79 132.00 128.57 2dkl h PRO 37 Ca 0.01 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.35 2dkl h PRO 37 Cb 0.41 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.52 2dkl h PRO 37 CO -0.23 0.40 0.72 0.00 -0.23 0.00 0.00 178.00 178.66 2dkl h ALA 38 N 0.35 2.50 0.03 -0.56 0.00 -1.52 0.80 119.26 120.86 2dkl h ALA 38 Ca -0.01 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 2dkl h ALA 38 Cb 0.49 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2dkl h ALA 38 CO 0.01 -1.08 -1.49 1.49 0.00 0.00 0.00 179.25 178.18 2dkl h GLU 39 N 0.00 0.06 0.02 0.00 4.81 -0.87 -3.11 114.58 115.48 2dkl h GLU 39 Ca 0.33 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2dkl h GLU 39 Cb 1.77 0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.19 2dkl h GLU 39 CO -0.00 0.78 -0.01 0.93 -0.73 0.00 0.00 179.01 179.98 2dkl h GLU 40 N 0.02 -0.02 0.63 1.92 4.39 0.67 -3.29 114.58 118.89 2dkl h GLU 40 Ca -0.20 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 2dkl h GLU 40 Cb 1.94 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.59 2dkl h GLU 40 CO 0.11 0.60 -0.44 0.00 -1.16 0.00 0.00 179.01 178.11 2dkl h ALA 41 N -0.34 -1.08 -0.53 3.43 0.00 -0.59 -2.85 119.26 117.29 2dkl h ALA 41 Ca -0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2dkl h ALA 41 Cb 0.63 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 2dkl h ALA 41 CO 0.00 -1.13 -0.32 1.28 0.00 0.00 0.00 179.25 179.09 2dkl n LEU 42 N -5.56 -0.57 -0.34 0.00 4.77 -1.18 0.21 117.00 114.34 2dkl n LEU 42 Ca -0.13 1.27 0.31 0.00 -0.03 0.00 0.00 56.01 57.43 2dkl n LEU 42 Cb 0.45 -0.28 0.65 0.00 -2.33 0.00 0.00 43.42 41.91 2dkl n LEU 42 CO 0.32 -0.94 1.28 0.11 -1.33 0.00 0.00 177.39 176.84 2dkl h LYS 43 N 0.00 0.16 0.00 3.23 1.57 -1.61 1.10 116.57 121.01 2dkl h LYS 43 Ca 0.09 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2dkl h LYS 43 Cb 0.22 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2dkl h LYS 43 CO -0.50 0.10 -0.78 1.03 -0.57 0.00 0.00 179.45 178.73 2dkl h SER 44 N 0.16 0.00 -0.47 0.86 0.87 0.28 -3.30 113.55 111.95 2dkl h SER 44 Ca 0.60 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 61.10 2dkl h SER 44 Cb 2.02 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.94 2dkl h SER 44 CO -0.15 0.03 0.08 0.59 -0.53 0.00 0.00 176.83 176.85 2dkl n ASN 45 N -2.79 4.29 -3.70 6.23 3.02 0.41 -4.89 115.26 117.83 2dkl n ASN 45 Ca 0.01 -2.76 -0.28 0.00 -0.03 0.00 0.00 54.58 51.52 2dkl n ASN 45 Cb 0.56 -0.66 0.03 0.00 -0.61 0.00 0.00 39.78 39.11 2dkl n ASN 45 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2dkl n ASN 46 N 0.25 -5.12 -3.19 6.41 2.85 -0.80 -1.56 115.26 114.10 2dkl n ASN 46 Ca 0.24 -0.64 -0.18 0.00 -0.11 0.00 0.00 54.58 53.90 2dkl n ASN 46 Cb 1.01 -4.09 0.08 0.00 1.24 0.00 0.00 39.78 38.02 2dkl n ASN 46 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 2dkl n MET 47 N -4.56 -6.38 -4.42 1.20 2.81 -0.56 -5.01 117.12 100.20 2dkl n MET 47 Ca 0.02 0.75 -0.32 0.00 -1.81 0.00 0.00 57.70 56.33 2dkl n MET 47 Cb 0.54 -5.50 -0.10 0.00 -0.71 0.00 0.00 33.22 27.46 2dkl n MET 47 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2dkl s ASN 48 N -3.83 4.73 -0.09 7.83 -0.87 -0.60 -5.06 114.94 117.05 2dkl s ASN 48 Ca 0.21 -0.12 -0.05 0.00 -1.57 0.00 0.00 52.86 51.34 2dkl s ASN 48 Cb -0.09 -1.13 -0.02 0.00 -0.02 0.00 0.00 41.25 39.99 2dkl s ASN 48 CO 0.65 0.28 -0.10 0.25 -2.57 0.00 0.00 177.10 175.61 2dkl h LEU 49 N 4.48 0.00 -0.81 0.60 5.85 -1.95 -3.18 115.31 120.31 2dkl h LEU 49 Ca -0.49 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.37 2dkl h LEU 49 Cb 1.17 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 2dkl h LEU 49 CO 0.54 0.49 0.40 -0.78 -0.34 0.00 0.00 178.44 178.75 2dkl h ASP 50 N -0.69 0.48 0.46 1.25 1.82 -1.99 0.18 116.42 117.93 2dkl h ASP 50 Ca 0.00 0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 2dkl h ASP 50 Cb 0.29 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.31 2dkl h ASP 50 CO 0.00 0.21 -0.22 1.56 -1.61 0.00 0.00 179.24 179.18 2dkl h GLN 51 N 0.60 -0.59 0.89 0.28 4.20 -1.93 -2.62 115.11 115.93 2dkl h GLN 51 Ca 0.43 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 59.14 2dkl h GLN 51 Cb 0.59 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.51 2dkl h GLN 51 CO -0.35 -0.37 -0.48 0.00 -0.67 0.00 0.00 178.83 176.96 2dkl h ALA 52 N -0.13 -1.29 -0.87 3.87 0.00 -1.38 -2.00 119.26 117.46 2dkl h ALA 52 Ca -0.06 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.68 2dkl h ALA 52 Cb 0.50 0.56 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 2dkl h ALA 52 CO 0.10 -1.23 -0.43 -1.33 0.00 0.00 0.00 179.25 176.36 2dkl n MET 53 N -5.64 -0.30 -0.13 0.00 2.81 0.59 0.19 117.12 114.65 2dkl n MET 53 Ca -0.16 1.33 0.05 0.00 -1.81 0.00 0.00 57.70 57.11 2dkl n MET 53 Cb 0.51 -1.96 0.36 0.00 -0.71 0.00 0.00 33.22 31.43 2dkl n MET 53 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 2dkl h SER 54 N 0.00 0.62 0.82 7.83 0.02 -1.39 0.11 113.55 121.57 2dkl h SER 54 Ca 0.22 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 2dkl h SER 54 Cb 0.44 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2dkl h SER 54 CO -0.84 0.43 -0.18 0.00 -1.14 0.00 0.00 176.83 175.10 2dkl h ALA 55 N 1.64 1.06 0.03 3.77 0.00 0.29 0.15 119.26 126.20 2dkl h ALA 55 Ca 0.25 -0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.69 2dkl h ALA 55 Cb 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2dkl h ALA 55 CO -0.07 0.22 -1.75 -0.07 0.00 0.00 0.00 179.25 177.58 2dkl h LEU 56 N 0.00 0.11 0.22 0.00 3.38 0.13 -3.38 115.31 115.77 2dkl h LEU 56 Ca -0.00 -0.23 -0.33 0.00 0.09 0.00 0.00 57.88 57.41 2dkl h LEU 56 Cb 0.64 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 41.38 2dkl h LEU 56 CO 0.02 1.21 -1.47 -0.07 0.09 0.00 0.00 178.44 178.23 2dkl h LEU 57 N 0.02 0.72 -1.72 1.67 3.38 -0.73 -3.29 115.31 115.36 2dkl h LEU 57 Ca -0.31 -0.80 0.32 0.00 0.09 0.00 0.00 57.88 57.18 2dkl h LEU 57 Cb 2.01 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 42.46 2dkl h LEU 57 CO 0.09 1.63 0.78 1.05 0.09 0.00 0.00 178.44 182.09 2dkl h GLU 58 N 0.13 0.15 0.00 1.13 -0.00 -0.88 -2.40 114.58 112.71 2dkl h GLU 58 Ca -0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.11 2dkl h GLU 58 Cb 2.12 -0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 30.83 2dkl h GLU 58 CO 0.25 0.10 -0.01 0.87 -0.00 0.00 0.00 179.01 180.22 2dkl h LYS 59 N 0.16 -0.01 -6.40 1.06 1.79 -1.73 -3.43 116.57 108.01 2dkl h LYS 59 Ca 0.59 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 58.38 2dkl h LYS 59 Cb 2.00 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 32.43 2dkl h LYS 59 CO -0.14 -0.01 -0.77 0.21 -1.08 0.00 0.00 179.45 177.66 2dkl s LYS 60 N -3.03 2.38 -0.56 3.15 2.47 -0.90 -5.09 119.74 118.17 2dkl s LYS 60 Ca -0.00 -0.78 -0.24 0.00 -1.56 0.00 0.00 55.97 53.39 2dkl s LYS 60 Cb 0.00 -2.33 0.05 0.00 -1.46 0.00 0.00 37.83 34.08 2dkl s LYS 60 CO 0.01 0.60 0.92 0.08 0.16 0.00 0.00 175.35 177.11 2dkl s VAL 61 N -0.81 4.42 0.42 4.02 1.01 -1.26 -4.82 120.40 123.37 2dkl s VAL 61 Ca 0.13 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.31 2dkl s VAL 61 Cb -0.11 -4.54 0.01 0.00 0.00 0.00 0.00 36.38 31.74 2dkl s VAL 61 CO 0.03 -1.13 0.58 -0.62 0.00 0.00 0.00 175.10 173.96 2dkl s ASP 62 N 2.92 5.73 -0.09 3.32 -1.08 -1.26 -5.05 116.67 121.16 2dkl s ASP 62 Ca 0.28 -0.17 -0.25 0.00 -0.52 0.00 0.00 52.55 51.90 2dkl s ASP 62 Cb -0.13 -1.02 -0.21 0.00 -1.46 0.00 0.00 42.92 40.09 2dkl s ASP 62 CO 0.18 -0.70 0.86 0.58 0.52 0.00 0.00 175.17 176.61 2dkl h VAL 63 N 0.60 1.40 -3.56 1.11 2.07 -2.04 -3.46 116.25 112.37 2dkl h VAL 63 Ca -0.43 -1.73 -0.52 0.00 0.82 0.00 0.00 66.70 64.84 2dkl h VAL 63 Cb 1.27 2.49 0.21 0.00 -1.52 0.00 0.00 31.29 33.75 2dkl h VAL 63 CO 0.51 0.42 -0.37 -0.67 0.02 0.00 0.00 177.57 177.47 2dkl n ASP 64 N -4.74 -1.44 -4.60 0.57 2.03 -1.26 -5.03 116.55 102.08 2dkl n ASP 64 Ca -0.09 0.30 -0.27 0.00 0.52 0.00 0.00 54.79 55.25 2dkl n ASP 64 Cb 0.35 -1.27 -0.11 0.00 -0.72 0.00 0.00 41.12 39.37 2dkl n ASP 64 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2dkl s LYS 65 N -3.93 1.93 1.27 -0.67 -0.14 -1.26 -5.14 119.74 111.80 2dkl s LYS 65 Ca 0.60 -2.08 -0.17 0.00 -1.36 0.00 0.00 55.97 52.96 2dkl s LYS 65 Cb -0.21 -1.59 0.32 0.00 -1.68 0.00 0.00 37.83 34.67 2dkl s LYS 65 CO 0.65 -0.04 0.99 -0.98 -0.76 0.00 0.00 175.35 175.21 2dkl s ARG 66 N -3.71 -1.73 0.00 1.68 1.70 -1.26 -5.04 118.95 110.59 2dkl s ARG 66 Ca 0.35 0.50 0.00 0.00 -0.47 0.00 0.00 55.73 56.11 2dkl s ARG 66 Cb 0.09 -1.49 0.00 0.00 -0.57 0.00 0.00 34.95 32.99 2dkl s ARG 66 CO 0.18 -4.17 0.00 0.41 -1.08 0.00 0.00 175.30 170.63 2dkl n GLY 67 N 0.88 4.57 3.33 3.88 0.00 -1.26 -5.09 105.19 111.50 2dkl n GLY 67 Ca 0.07 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 2dkl n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dkl s LEU 68 N 0.00 5.05 0.00 0.99 1.43 -1.26 -4.99 118.68 119.89 2dkl s LEU 68 Ca 0.00 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 51.84 2dkl s LEU 68 Cb 0.00 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.18 2dkl s LEU 68 CO 0.00 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.70 2dkl n GLY 69 N 5.00 1.53 0.45 -3.19 0.00 -1.26 -0.40 105.19 107.33 2dkl n GLY 69 Ca -0.11 -0.34 0.36 0.00 0.00 0.00 0.00 46.02 45.93 2dkl n GLY 69 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2dkl h VAL 70 N 0.00 0.11 -6.20 1.61 3.04 -2.05 -3.43 116.25 109.33 2dkl h VAL 70 Ca 0.00 -0.03 -0.48 0.00 -1.01 0.00 0.00 66.70 65.18 2dkl h VAL 70 Cb 0.00 0.02 -0.29 0.00 -2.01 0.00 0.00 31.29 29.01 2dkl h VAL 70 CO 0.00 0.02 -0.69 1.07 -1.01 0.00 0.00 177.57 176.95 2dkl n THR 71 N -4.75 -0.03 -3.18 3.17 5.66 0.47 -4.82 114.28 110.79 2dkl n THR 71 Ca 0.37 -0.02 -0.44 0.00 -3.05 0.00 0.00 64.05 60.92 2dkl n THR 71 Cb 1.41 -0.39 -0.07 0.00 -1.55 0.00 0.00 70.33 69.73 2dkl n THR 71 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2dkl s ASP 72 N -2.76 6.23 0.28 1.09 -1.08 -1.26 -4.95 116.67 114.22 2dkl s ASP 72 Ca 0.61 -0.84 -0.26 0.00 -0.52 0.00 0.00 52.55 51.53 2dkl s ASP 72 Cb -0.36 -2.28 -0.16 0.00 -1.46 0.00 0.00 42.92 38.67 2dkl s ASP 72 CO 0.78 -0.83 0.55 1.41 0.52 0.00 0.00 175.17 177.60 2dkl n HIS 73 N 6.07 -0.41 -4.24 -5.34 8.25 -1.26 -4.98 115.22 113.30 2dkl n HIS 73 Ca -0.06 0.81 -0.17 0.00 -0.26 0.00 0.00 57.72 58.04 2dkl n HIS 73 Cb 0.46 -1.99 -0.14 0.00 1.12 0.00 0.00 29.99 29.44 2dkl n HIS 73 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2dkl s ASN 74 N -0.91 0.92 0.00 0.41 2.20 -1.26 -5.03 114.94 111.27 2dkl s ASN 74 Ca 0.62 -0.22 0.00 0.00 -0.94 0.00 0.00 52.86 52.32 2dkl s ASN 74 Cb -0.79 -0.08 0.00 0.00 -2.00 0.00 0.00 41.25 38.38 2dkl s ASN 74 CO 0.58 0.04 0.00 0.61 -2.94 0.00 0.00 177.10 175.39 2dkl n GLY 75 N 2.60 -0.95 3.32 0.45 0.00 -1.26 -5.17 105.19 104.17 2dkl n GLY 75 Ca -0.15 0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 2dkl n GLY 75 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dkl s MET 76 N 0.00 1.21 -0.30 1.61 -2.45 -1.26 -5.13 119.30 112.99 2dkl s MET 76 Ca 0.00 -1.25 -0.11 0.00 -1.25 0.00 0.00 55.69 53.08 2dkl s MET 76 Cb 0.00 -1.49 0.18 0.00 1.25 0.00 0.00 34.83 34.77 2dkl s MET 76 CO 0.00 0.34 0.95 0.00 1.05 0.00 0.00 175.02 177.36 2dkl s ALA 77 N -1.32 -3.08 -0.38 4.11 0.00 -1.26 -5.11 121.76 114.72 2dkl s ALA 77 Ca 0.10 1.62 -0.27 0.00 0.00 0.00 0.00 51.96 53.41 2dkl s ALA 77 Cb -0.09 -2.36 -0.06 0.00 0.00 0.00 0.00 23.12 20.61 2dkl s ALA 77 CO 0.05 -1.35 2.34 0.00 0.00 0.00 0.00 175.76 176.80 2dkl n ALA 78 N 5.38 1.22 -3.50 0.00 0.00 -1.26 -4.89 120.51 117.47 2dkl n ALA 78 Ca -0.06 -0.62 -0.15 0.00 0.00 0.00 0.00 53.44 52.60 2dkl n ALA 78 Cb 0.53 -3.07 -0.05 0.00 0.00 0.00 0.00 19.45 16.87 2dkl n ALA 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2dkl s LYS 79 N 7.43 1.07 -0.02 0.00 2.47 -1.26 -5.17 119.74 124.26 2dkl s LYS 79 Ca 1.00 0.03 -0.00 0.00 -1.56 0.00 0.00 55.97 55.43 2dkl s LYS 79 Cb -0.27 0.50 0.02 0.00 -1.46 0.00 0.00 37.83 36.62 2dkl s LYS 79 CO 0.31 -0.38 0.03 -1.54 0.16 0.00 0.00 175.35 173.93 2dkl s SER 80 N -1.67 0.02 -0.59 1.43 1.04 -1.26 -5.10 113.70 107.58 2dkl s SER 80 Ca -0.06 0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.47 2dkl s SER 80 Cb -0.00 -0.01 0.17 0.00 0.10 0.00 0.00 66.02 66.28 2dkl s SER 80 CO 0.02 -0.09 0.44 0.61 0.98 0.00 0.00 173.24 175.21 2dkl n GLY 81 N 3.80 3.30 3.77 7.32 0.00 -1.26 -5.11 105.19 117.01 2dkl n GLY 81 Ca -0.22 -2.09 -0.35 0.00 0.00 0.00 0.00 46.02 43.36 2dkl n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkl s PRO 82 N -0.90 3.25 0.40 1.61 0.04 -1.26 -5.06 135.00 133.09 2dkl s PRO 82 Ca 0.28 1.57 0.06 0.00 0.04 0.00 0.00 61.00 62.94 2dkl s PRO 82 Cb -0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2dkl s PRO 82 CO -0.18 -0.92 0.57 -1.12 0.04 0.00 0.00 177.00 175.39 2dkl s SER 83 N -1.93 5.77 -0.03 6.66 0.01 -1.26 -5.06 113.70 117.86 2dkl s SER 83 Ca 0.72 -0.18 -0.03 0.00 1.31 0.00 0.00 55.95 57.77 2dkl s SER 83 Cb -0.23 -1.05 -0.02 0.00 0.21 0.00 0.00 66.02 64.94 2dkl s SER 83 CO 0.30 -0.66 -0.06 -1.20 0.41 0.00 0.00 173.24 172.03 2dkl n SER 84 N -1.85 0.53 0.00 2.44 7.64 -1.26 -5.35 113.62 115.77 2dkl n SER 84 Ca 0.04 0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2dkl n SER 84 Cb 0.58 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 2dkl n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64