#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkl n SER 2 N 0.00 -1.19 -4.66 1.61 7.64 -1.26 -4.75 113.62 111.01 2dkl n SER 2 Ca 0.00 -1.25 -0.44 0.00 1.01 0.00 0.00 58.87 58.19 2dkl n SER 2 Cb 0.00 -1.59 -0.04 0.00 -1.01 0.00 0.00 64.21 61.57 2dkl n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dkl n SER 3 N -2.54 3.85 0.00 6.43 2.88 -1.26 -4.08 113.62 118.90 2dkl n SER 3 Ca 0.02 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 2dkl n SER 3 Cb 0.50 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 2dkl n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkl n GLY 4 N 4.69 0.74 2.91 0.46 0.00 -1.26 -5.14 105.19 107.60 2dkl n GLY 4 Ca 0.22 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 2dkl n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dkl s SER 5 N -1.24 1.66 0.41 1.61 0.15 -1.26 -5.12 113.70 109.91 2dkl s SER 5 Ca 0.00 -0.22 -0.24 0.00 0.70 0.00 0.00 55.95 56.19 2dkl s SER 5 Cb 0.00 -0.67 -0.11 0.00 -1.71 0.00 0.00 66.02 63.52 2dkl s SER 5 CO 0.00 -0.07 0.80 -1.20 1.20 0.00 0.00 173.24 173.97 2dkl n SER 6 N 4.43 0.28 -4.54 5.45 7.64 -1.26 -4.84 113.62 120.78 2dkl n SER 6 Ca -0.18 0.98 -0.41 0.00 1.01 0.00 0.00 58.87 60.27 2dkl n SER 6 Cb 0.51 -1.24 -0.03 0.00 -1.01 0.00 0.00 64.21 62.44 2dkl n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dkl s GLY 7 N -0.85 1.36 0.00 0.23 0.00 -1.26 -4.30 107.32 102.50 2dkl s GLY 7 Ca 0.64 -2.32 0.00 0.00 0.00 0.00 0.00 44.72 43.03 2dkl s GLY 7 CO 0.57 2.58 0.00 0.61 0.00 0.00 0.00 173.10 176.86 2dkl n GLY 8 N 6.65 -2.36 3.15 0.20 0.00 -1.26 -5.10 105.19 106.47 2dkl n GLY 8 Ca 0.31 0.76 -0.35 0.00 0.00 0.00 0.00 46.02 46.75 2dkl n GLY 8 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dkl s MET 9 N 0.00 2.34 -0.05 1.61 1.00 -1.26 -4.98 119.30 117.95 2dkl s MET 9 Ca 0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 55.69 54.33 2dkl s MET 9 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 34.83 31.63 2dkl s MET 9 CO 0.00 -0.67 2.20 0.36 0.00 0.00 0.00 175.02 176.90 2dkl n LYS 10 N 4.59 1.25 -1.66 2.03 2.85 -1.26 -4.87 118.16 121.09 2dkl n LYS 10 Ca -0.11 -0.37 -0.56 0.00 -1.05 0.00 0.00 58.31 56.21 2dkl n LYS 10 Cb 0.43 -1.22 -0.07 0.00 -0.65 0.00 0.00 35.03 33.52 2dkl n LYS 10 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2dkl n THR 11 N 1.44 0.29 -0.14 0.58 -1.04 -1.26 -4.83 114.28 109.32 2dkl n THR 11 Ca 0.10 -0.08 -0.04 0.00 -2.04 0.00 0.00 64.05 61.99 2dkl n THR 11 Cb 0.56 -1.27 0.03 0.00 -1.82 0.00 0.00 70.33 67.82 2dkl n THR 11 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2dkl h SER 12 N 8.08 -0.34 -1.06 8.00 0.87 -2.07 -3.47 113.55 123.56 2dkl h SER 12 Ca -0.42 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2dkl h SER 12 Cb 1.32 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 2dkl h SER 12 CO 0.98 -0.12 0.00 0.61 -0.53 0.00 0.00 176.83 177.77 2dkl n GLY 13 N -1.32 -1.05 2.95 5.77 0.00 -1.26 -4.87 105.19 105.41 2dkl n GLY 13 Ca 0.03 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 2dkl n GLY 13 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dkl n LYS 14 N -0.23 0.00 -2.34 1.61 0.00 -1.26 -4.79 118.16 111.15 2dkl n LYS 14 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 2dkl n LYS 14 Cb 0.00 -0.93 -0.02 0.00 -0.00 0.00 0.00 35.03 34.08 2dkl n LYS 14 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2dkl s GLN 15 N -1.23 4.26 0.43 -1.58 1.11 -1.26 -5.02 119.66 116.37 2dkl s GLN 15 Ca 0.48 1.79 0.07 0.00 0.01 0.00 0.00 55.36 57.71 2dkl s GLN 15 Cb -0.37 -3.71 -0.04 0.00 -1.01 0.00 0.00 33.01 27.88 2dkl s GLN 15 CO 0.66 -0.64 0.23 -0.51 0.01 0.00 0.00 175.29 175.04 2dkl s ASP 16 N 2.04 4.54 -0.08 5.90 1.11 -1.26 -5.05 116.67 123.87 2dkl s ASP 16 Ca 0.59 -1.05 0.13 0.00 0.18 0.00 0.00 52.55 52.40 2dkl s ASP 16 Cb -0.26 -0.39 -0.23 0.00 1.07 0.00 0.00 42.92 43.10 2dkl s ASP 16 CO 0.20 -0.62 0.54 -0.62 1.18 0.00 0.00 175.17 175.86 2dkl n GLU 17 N -1.34 0.65 -0.05 8.23 1.02 -1.26 -4.12 120.64 123.77 2dkl n GLU 17 Ca -0.01 0.24 -0.08 0.00 -0.02 0.00 0.00 57.16 57.29 2dkl n GLU 17 Cb 0.64 -1.74 -0.02 0.00 -0.02 0.00 0.00 31.44 30.30 2dkl n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dkl h ALA 18 N 0.97 0.13 -0.42 0.62 0.00 -2.01 -1.13 119.26 117.42 2dkl h ALA 18 Ca -0.34 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2dkl h ALA 18 Cb 2.06 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 20.02 2dkl h ALA 18 CO 0.07 -0.49 0.28 0.11 0.00 0.00 0.00 179.25 179.22 2dkl h TRP 19 N -0.02 0.47 -0.18 0.00 5.08 -2.01 -2.44 115.95 116.85 2dkl h TRP 19 Ca 0.11 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 60.08 2dkl h TRP 19 Cb 0.19 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 26.19 2dkl h TRP 19 CO -0.25 0.28 0.05 0.82 -1.28 0.00 0.00 178.44 178.06 2dkl h ILE 20 N 0.49 1.19 -0.73 0.12 2.04 -1.39 -3.03 117.51 116.20 2dkl h ILE 20 Ca 0.17 -0.60 0.23 0.00 1.00 0.00 0.00 64.86 65.66 2dkl h ILE 20 Cb 0.06 1.25 -0.13 0.00 -0.74 0.00 0.00 36.82 37.26 2dkl h ILE 20 CO -0.04 0.19 0.13 0.80 0.00 0.00 0.00 178.15 179.23 2dkl n MET 21 N -4.81 -0.05 0.02 2.37 1.56 -0.75 0.15 117.12 115.60 2dkl n MET 21 Ca -0.04 1.07 -0.10 0.00 -0.27 0.00 0.00 57.70 58.35 2dkl n MET 21 Cb 0.15 -1.76 -0.04 0.00 2.15 0.00 0.00 33.22 33.72 2dkl n MET 21 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2dkl h SER 22 N 0.00 -0.38 -0.78 6.12 0.87 -1.64 -2.59 113.55 115.14 2dkl h SER 22 Ca 0.50 0.07 0.11 0.00 -1.23 0.00 0.00 61.79 61.23 2dkl h SER 22 Cb 1.14 0.17 -0.12 0.00 -0.44 0.00 0.00 62.40 63.16 2dkl h SER 22 CO -0.65 -0.17 -0.34 0.54 -0.53 0.00 0.00 176.83 175.68 2dkl n ARG 23 N -5.26 -0.22 -0.28 2.24 1.74 0.39 0.17 116.66 115.44 2dkl n ARG 23 Ca -0.04 1.20 -0.05 0.00 -0.77 0.00 0.00 57.85 58.19 2dkl n ARG 23 Cb 0.18 -1.78 0.08 0.00 -1.02 0.00 0.00 32.46 29.92 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 1.09 -0.20 0.55 3.38 -1.52 -2.95 115.31 115.67 2dkl h LEU 24 Ca 0.24 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2dkl h LEU 24 Cb 0.44 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2dkl h LEU 24 CO -0.77 0.96 0.11 0.40 0.09 0.00 0.00 178.44 179.23 2dkl h ILE 25 N 1.15 1.01 -0.88 1.22 1.08 0.21 -3.02 117.51 118.29 2dkl h ILE 25 Ca 0.26 -0.08 0.11 0.00 -0.39 0.00 0.00 64.86 64.76 2dkl h ILE 25 Cb 0.21 0.77 -0.12 0.00 -3.07 0.00 0.00 36.82 34.60 2dkl h ILE 25 CO -0.02 0.04 -0.43 1.17 -0.69 0.00 0.00 178.15 178.22 2dkl n LYS 26 N -4.99 -0.29 -0.31 2.37 4.81 0.83 0.64 118.16 121.22 2dkl n LYS 26 Ca -0.03 1.34 0.06 0.00 -0.87 0.00 0.00 58.31 58.81 2dkl n LYS 26 Cb 0.04 -1.99 0.15 0.00 0.02 0.00 0.00 35.03 33.26 2dkl n LYS 26 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2dkl h GLN 27 N 0.00 0.02 0.16 1.64 7.50 -1.61 -0.16 115.11 122.66 2dkl h GLN 27 Ca 0.23 -0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.37 2dkl h GLN 27 Cb 0.45 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.97 2dkl h GLN 27 CO -0.85 0.01 -0.08 -0.07 -1.50 0.00 0.00 178.83 176.34 2dkl h LEU 28 N 0.02 -0.18 -1.51 1.46 4.07 0.10 -2.65 115.31 116.62 2dkl h LEU 28 Ca 0.45 -0.35 0.43 0.00 0.08 0.00 0.00 57.88 58.50 2dkl h LEU 28 Cb 0.77 0.05 -0.11 0.00 1.08 0.00 0.00 40.66 42.44 2dkl h LEU 28 CO -0.87 0.32 0.91 0.71 -1.08 0.00 0.00 178.44 178.43 2dkl h THR 29 N -0.76 0.15 0.00 0.22 1.35 0.64 1.78 112.91 116.29 2dkl h THR 29 Ca -0.02 -0.03 -0.20 0.00 -0.55 0.00 0.00 66.41 65.60 2dkl h THR 29 Cb 0.52 0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 66.96 2dkl h THR 29 CO 0.04 0.02 -1.03 -0.78 -0.25 0.00 0.00 175.52 173.51 2dkl h ASP 30 N 0.09 0.00 0.07 5.36 3.58 -1.05 -3.38 116.42 121.08 2dkl h ASP 30 Ca 0.80 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 58.25 2dkl h ASP 30 Cb 2.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.68 2dkl h ASP 30 CO -0.34 0.92 -0.03 0.24 -2.88 0.00 0.00 179.24 177.15 2dkl h MET 31 N 0.00 -0.09 0.00 0.28 2.86 0.31 -3.47 114.93 114.81 2dkl h MET 31 Ca -0.05 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2dkl h MET 31 Cb 1.74 0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.42 2dkl h MET 31 CO 0.11 -0.06 0.00 0.41 1.06 0.00 0.00 176.91 178.43 2dkl n GLY 32 N -0.18 0.00 3.15 8.32 0.00 -0.74 -4.89 105.19 110.85 2dkl n GLY 32 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.25 0.73 1.61 0.08 -1.22 -5.05 117.98 113.87 2dkl s PHE 33 Ca 0.00 0.60 -0.12 0.00 0.12 0.00 0.00 56.93 57.53 2dkl s PHE 33 Cb 0.00 0.09 0.03 0.00 -0.57 0.00 0.00 43.02 42.57 2dkl s PHE 33 CO 0.00 -0.17 1.10 -1.25 -0.10 0.00 0.00 175.22 174.80 2dkl s PRO 34 N -0.11 2.48 0.34 0.24 0.04 -1.26 -3.25 135.00 133.48 2dkl s PRO 34 Ca -0.02 1.26 0.11 0.00 0.04 0.00 0.00 61.00 62.39 2dkl s PRO 34 Cb -0.03 -1.92 0.62 0.00 0.04 0.00 0.00 34.50 33.21 2dkl s PRO 34 CO 0.01 -1.48 1.77 0.07 0.04 0.00 0.00 177.00 177.41 2dkl h ARG 35 N -0.65 0.05 -0.40 4.56 -0.00 -1.96 -2.99 114.38 112.98 2dkl h ARG 35 Ca -0.45 -0.02 0.04 0.00 -0.00 0.00 0.00 59.98 59.55 2dkl h ARG 35 Cb 1.24 -0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 31.15 2dkl h ARG 35 CO 0.52 0.45 -0.27 0.93 -0.00 0.00 0.00 179.97 181.61 2dkl h GLU 36 N 0.04 -0.04 0.05 0.08 3.07 -2.00 0.61 114.58 116.40 2dkl h GLU 36 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2dkl h GLU 36 Cb 0.75 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 2dkl h GLU 36 CO 0.06 -0.03 -0.02 -1.00 -1.40 0.00 0.00 179.01 176.61 2dkl h PRO 37 N -0.04 -0.06 -0.29 2.33 0.13 -1.97 -2.98 132.00 129.12 2dkl h PRO 37 Ca 0.07 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.28 2dkl h PRO 37 Cb 0.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 2dkl h PRO 37 CO -0.40 0.40 0.75 0.00 -0.23 0.00 0.00 178.00 178.51 2dkl h ALA 38 N 0.35 2.03 0.00 -0.56 0.00 -1.34 0.21 119.26 119.95 2dkl h ALA 38 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2dkl h ALA 38 Cb 0.49 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2dkl h ALA 38 CO 0.01 -0.90 -0.54 1.49 0.00 0.00 0.00 179.25 179.31 2dkl h GLU 39 N 0.00 0.00 -0.84 0.00 4.81 -0.77 -3.12 114.58 114.67 2dkl h GLU 39 Ca 0.14 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 2dkl h GLU 39 Cb 1.63 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.96 2dkl h GLU 39 CO -0.00 0.49 0.53 1.05 -0.73 0.00 0.00 179.01 180.35 2dkl h GLU 40 N -1.00 0.98 0.80 1.92 4.11 -0.85 -2.91 114.58 117.64 2dkl h GLU 40 Ca -0.11 -0.06 -0.04 0.00 0.07 0.00 0.00 59.36 59.22 2dkl h GLU 40 Cb 0.74 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.78 2dkl h GLU 40 CO -0.07 0.65 -0.39 0.00 0.07 0.00 0.00 179.01 179.28 2dkl h ALA 41 N 1.36 -1.18 -0.84 1.06 0.00 -0.86 -3.18 119.26 115.62 2dkl h ALA 41 Ca 0.34 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 55.13 2dkl h ALA 41 Cb 0.06 0.42 -0.12 0.00 0.00 0.00 0.00 17.79 18.14 2dkl h ALA 41 CO -0.13 -1.10 -0.37 1.28 0.00 0.00 0.00 179.25 178.92 2dkl n LEU 42 N -5.17 -0.64 -0.31 0.00 4.77 -1.16 0.14 117.00 114.63 2dkl n LEU 42 Ca -0.13 1.47 0.15 0.00 -0.03 0.00 0.00 56.01 57.46 2dkl n LEU 42 Cb 0.42 -0.29 0.31 0.00 -2.33 0.00 0.00 43.42 41.53 2dkl n LEU 42 CO 0.32 -1.28 0.94 0.11 -1.33 0.00 0.00 177.39 176.15 2dkl h LYS 43 N 0.00 0.18 0.00 3.23 1.57 -1.50 1.38 116.57 121.42 2dkl h LYS 43 Ca 0.25 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2dkl h LYS 43 Cb 0.46 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2dkl h LYS 43 CO -0.82 0.12 -0.15 0.77 -0.57 0.00 0.00 179.45 178.80 2dkl h SER 44 N 0.18 0.00 -1.00 0.86 0.02 0.13 -3.26 113.55 110.48 2dkl h SER 44 Ca 0.58 -0.03 -0.58 0.00 -0.84 0.00 0.00 61.79 60.92 2dkl h SER 44 Cb 1.21 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.44 2dkl h SER 44 CO -0.69 0.02 0.74 0.59 -1.14 0.00 0.00 176.83 176.35 2dkl n ASN 45 N -2.45 5.23 -3.48 3.07 3.02 0.45 -4.88 115.26 116.22 2dkl n ASN 45 Ca 0.05 -3.68 -0.24 0.00 -0.03 0.00 0.00 54.58 50.68 2dkl n ASN 45 Cb 0.46 -0.89 -0.01 0.00 -0.61 0.00 0.00 39.78 38.72 2dkl n ASN 45 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2dkl n ASN 46 N -1.06 -3.18 -3.62 6.41 4.13 -0.86 -0.07 115.26 117.01 2dkl n ASN 46 Ca 0.61 -0.45 -0.22 0.00 1.68 0.00 0.00 54.58 56.20 2dkl n ASN 46 Cb 1.30 -2.66 0.07 0.00 -1.54 0.00 0.00 39.78 36.94 2dkl n ASN 46 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2dkl n MET 47 N -3.68 -6.61 -4.22 3.52 2.81 0.31 -5.00 117.12 104.26 2dkl n MET 47 Ca 0.01 0.76 -0.24 0.00 -1.81 0.00 0.00 57.70 56.42 2dkl n MET 47 Cb 0.52 -5.69 -0.07 0.00 -0.71 0.00 0.00 33.22 27.28 2dkl n MET 47 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2dkl s ASN 48 N -3.83 4.87 -0.22 7.83 3.84 0.90 -5.05 114.94 123.28 2dkl s ASN 48 Ca 0.31 -0.45 -0.16 0.00 0.21 0.00 0.00 52.86 52.78 2dkl s ASN 48 Cb -0.15 -1.05 -0.18 0.00 -0.55 0.00 0.00 41.25 39.33 2dkl s ASN 48 CO 0.76 0.03 0.02 -0.11 -2.79 0.00 0.00 177.10 175.01 2dkl n LEU 49 N -0.64 2.08 -0.15 3.21 7.94 -1.26 -2.82 117.00 125.35 2dkl n LEU 49 Ca -0.08 0.33 -0.04 0.00 -1.11 0.00 0.00 56.01 55.11 2dkl n LEU 49 Cb 0.57 -0.94 0.16 0.00 0.53 0.00 0.00 43.42 43.74 2dkl n LEU 49 CO 0.40 0.50 0.95 0.44 -1.11 0.00 0.00 177.39 178.57 2dkl h ASP 50 N -0.79 0.82 0.12 1.96 3.32 -1.97 0.41 116.42 120.30 2dkl h ASP 50 Ca -0.49 -0.16 -0.25 0.00 0.02 0.00 0.00 57.03 56.14 2dkl h ASP 50 Cb 1.54 -0.22 0.03 0.00 0.22 0.00 0.00 39.33 40.90 2dkl h ASP 50 CO -0.23 0.82 -1.05 1.56 -1.72 0.00 0.00 179.24 178.61 2dkl h GLN 51 N 0.84 0.50 0.19 3.56 1.08 -1.89 -3.14 115.11 116.25 2dkl h GLN 51 Ca 0.18 -0.70 -0.01 0.00 -1.45 0.00 0.00 58.65 56.67 2dkl h GLN 51 Cb 0.34 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2dkl h GLN 51 CO 0.00 1.31 -0.09 0.00 -0.95 0.00 0.00 178.83 179.10 2dkl h ALA 52 N 0.23 -0.26 -0.07 3.87 0.00 -1.41 -2.75 119.26 118.87 2dkl h ALA 52 Ca -0.17 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.65 2dkl h ALA 52 Cb 1.77 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.60 2dkl h ALA 52 CO 0.20 -0.56 -0.47 0.52 0.00 0.00 0.00 179.25 178.94 2dkl h MET 53 N -0.43 -0.56 -0.92 0.00 2.86 -1.05 0.12 114.93 114.96 2dkl h MET 53 Ca -0.03 0.04 0.27 0.00 -2.06 0.00 0.00 59.70 57.92 2dkl h MET 53 Cb 0.33 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 2dkl h MET 53 CO 0.04 -0.37 0.69 1.03 1.06 0.00 0.00 176.91 179.36 2dkl h SER 54 N -0.58 0.00 0.11 1.22 0.87 -1.56 0.58 113.55 114.19 2dkl h SER 54 Ca 0.05 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 2dkl h SER 54 Cb 0.67 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2dkl h SER 54 CO -0.38 0.00 -0.42 0.00 -0.53 0.00 0.00 176.83 175.50 2dkl h ALA 55 N 1.49 0.96 0.00 6.23 0.00 -0.46 -2.43 119.26 125.05 2dkl h ALA 55 Ca 0.44 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2dkl h ALA 55 Cb 1.81 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2dkl h ALA 55 CO -0.00 0.63 -0.53 -0.07 0.00 0.00 0.00 179.25 179.27 2dkl h LEU 56 N 0.33 0.00 -0.72 0.00 3.38 0.52 -3.37 115.31 115.45 2dkl h LEU 56 Ca 0.03 -0.42 0.16 0.00 0.09 0.00 0.00 57.88 57.74 2dkl h LEU 56 Cb 0.88 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.51 2dkl h LEU 56 CO 0.07 1.01 0.07 -0.07 0.09 0.00 0.00 178.44 179.61 2dkl h LEU 57 N -1.00 -0.20 -0.68 1.67 3.38 -0.90 -1.83 115.31 115.76 2dkl h LEU 57 Ca -0.12 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2dkl h LEU 57 Cb 0.80 0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.73 2dkl h LEU 57 CO -0.07 -0.12 -0.55 -0.33 0.09 0.00 0.00 178.44 177.46 2dkl h GLU 58 N 0.16 -0.19 -0.36 1.13 4.39 -1.60 -0.34 114.58 117.78 2dkl h GLU 58 Ca 0.40 0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.18 2dkl h GLU 58 Cb 0.69 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.30 2dkl h GLU 58 CO -0.58 -0.12 -0.13 0.87 -1.16 0.00 0.00 179.01 177.89 2dkl h LYS 59 N -0.19 -0.05 -4.25 2.33 1.79 -1.50 -3.40 116.57 111.31 2dkl h LYS 59 Ca 0.11 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 58.08 2dkl h LYS 59 Cb 0.49 0.01 -0.36 0.00 -1.58 0.00 0.00 32.23 30.79 2dkl h LYS 59 CO -0.74 -0.03 -0.80 0.21 -1.08 0.00 0.00 179.45 177.01 2dkl s LYS 60 N -6.19 1.41 -0.22 3.15 2.20 -0.16 -5.12 119.74 114.82 2dkl s LYS 60 Ca -0.14 -0.25 -0.18 0.00 -0.36 0.00 0.00 55.97 55.04 2dkl s LYS 60 Cb 0.14 -1.39 -0.03 0.00 -1.51 0.00 0.00 37.83 35.04 2dkl s LYS 60 CO 0.70 -0.17 0.53 0.08 -0.36 0.00 0.00 175.35 176.13 2dkl s VAL 61 N 1.34 5.09 0.27 4.02 1.01 -1.09 -4.15 120.40 126.88 2dkl s VAL 61 Ca -0.02 0.96 0.04 0.00 0.00 0.00 0.00 61.98 62.95 2dkl s VAL 61 Cb -0.14 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 2dkl s VAL 61 CO -0.04 0.14 0.01 -0.62 0.00 0.00 0.00 175.10 174.60 2dkl s ASP 62 N 1.26 2.05 -1.10 3.32 2.15 -1.26 -5.08 116.67 118.02 2dkl s ASP 62 Ca 0.24 -1.27 -0.21 0.00 0.43 0.00 0.00 52.55 51.73 2dkl s ASP 62 Cb -0.15 -0.03 0.07 0.00 -0.30 0.00 0.00 42.92 42.50 2dkl s ASP 62 CO 0.09 -0.53 1.51 -0.69 -0.17 0.00 0.00 175.17 175.38 2dkl s VAL 63 N -3.36 4.07 0.44 1.11 1.01 -1.26 -4.98 120.40 117.44 2dkl s VAL 63 Ca 0.32 -1.20 0.04 0.00 0.00 0.00 0.00 61.98 61.14 2dkl s VAL 63 Cb 0.06 -5.07 0.01 0.00 0.00 0.00 0.00 36.38 31.38 2dkl s VAL 63 CO 0.11 -1.92 0.62 1.51 0.00 0.00 0.00 175.10 175.42 2dkl s ASP 64 N 4.61 5.65 0.05 3.32 1.47 -1.26 -5.02 116.67 125.48 2dkl s ASP 64 Ca 0.47 -0.13 0.07 0.00 1.18 0.00 0.00 52.55 54.14 2dkl s ASP 64 Cb 0.01 -1.00 -0.02 0.00 -0.34 0.00 0.00 42.92 41.56 2dkl s ASP 64 CO -0.05 -0.79 -0.19 -0.54 0.68 0.00 0.00 175.17 174.29 2dkl s LYS 65 N -4.46 1.25 0.16 2.11 1.02 -1.26 -5.04 119.74 113.52 2dkl s LYS 65 Ca 0.52 -0.91 -0.12 0.00 0.02 0.00 0.00 55.97 55.48 2dkl s LYS 65 Cb -0.10 -1.35 0.06 0.00 -0.52 0.00 0.00 37.83 35.91 2dkl s LYS 65 CO 0.35 0.34 1.70 0.07 -0.92 0.00 0.00 175.35 176.89 2dkl h ARG 66 N 4.83 0.86 -6.09 1.68 0.11 -2.04 -3.42 114.38 110.31 2dkl h ARG 66 Ca -0.42 -0.18 -0.57 0.00 0.10 0.00 0.00 59.98 58.92 2dkl h ARG 66 Cb 1.17 -0.13 -0.05 0.00 1.11 0.00 0.00 29.97 32.07 2dkl h ARG 66 CO 0.44 0.77 -0.03 0.20 0.10 0.00 0.00 179.97 181.44 2dkl s GLY 67 N -3.17 2.61 0.41 0.08 0.00 -1.26 -5.07 107.32 100.91 2dkl s GLY 67 Ca -0.13 0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.64 2dkl s GLY 67 CO 0.80 0.68 0.11 0.48 0.00 0.00 0.00 173.10 175.16 2dkl s LEU 68 N -0.37 2.05 -0.65 0.66 0.05 -1.26 -5.05 118.68 114.11 2dkl s LEU 68 Ca 0.30 -1.64 -0.26 0.00 0.05 0.00 0.00 54.13 52.58 2dkl s LEU 68 Cb -0.18 -0.20 -0.10 0.00 -2.05 0.00 0.00 46.19 43.66 2dkl s LEU 68 CO 0.17 -0.89 2.37 -0.83 -0.55 0.00 0.00 176.35 176.63 2dkl s GLY 69 N -3.62 -0.57 0.52 -3.48 0.00 -1.26 -4.93 107.32 93.98 2dkl s GLY 69 Ca 0.23 -0.43 -0.08 0.00 0.00 0.00 0.00 44.72 44.44 2dkl s GLY 69 CO 0.13 4.14 0.87 -1.34 0.00 0.00 0.00 173.10 176.90 2dkl s VAL 70 N 13.22 4.81 -0.24 1.40 -7.23 -1.26 -5.02 120.40 126.09 2dkl s VAL 70 Ca 0.93 0.51 -0.29 0.00 -1.81 0.00 0.00 61.98 61.32 2dkl s VAL 70 Cb -0.15 -3.85 -0.00 0.00 0.56 0.00 0.00 36.38 32.95 2dkl s VAL 70 CO 0.17 -0.91 1.24 -0.89 -0.31 0.00 0.00 175.10 174.39 2dkl s THR 71 N -2.84 4.29 0.46 5.32 2.01 -1.26 -5.01 115.64 118.60 2dkl s THR 71 Ca 0.51 1.52 0.01 0.00 0.31 0.00 0.00 61.69 64.03 2dkl s THR 71 Cb -0.11 -4.13 -0.00 0.00 0.01 0.00 0.00 72.50 68.27 2dkl s THR 71 CO 0.46 -0.31 0.04 -0.90 -0.69 0.00 0.00 174.62 173.22 2dkl n ASP 72 N 7.01 2.72 -3.70 3.53 5.75 -1.26 -4.82 116.55 125.78 2dkl n ASP 72 Ca 0.14 -3.11 -0.24 0.00 -0.01 0.00 0.00 54.79 51.57 2dkl n ASP 72 Cb 0.46 0.53 0.05 0.00 -1.03 0.00 0.00 41.12 41.13 2dkl n ASP 72 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2dkl n HIS 73 N -1.11 -2.36 -3.06 2.11 8.25 -1.26 -4.99 115.22 112.80 2dkl n HIS 73 Ca -0.16 0.93 -0.19 0.00 -0.26 0.00 0.00 57.72 58.04 2dkl n HIS 73 Cb 0.61 -4.56 0.01 0.00 1.12 0.00 0.00 29.99 27.17 2dkl n HIS 73 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2dkl s ASN 74 N -3.73 5.68 1.26 0.41 2.47 -1.26 -5.10 114.94 114.67 2dkl s ASN 74 Ca 0.38 -0.22 -0.16 0.00 0.42 0.00 0.00 52.86 53.28 2dkl s ASN 74 Cb -0.18 -0.93 0.25 0.00 -1.45 0.00 0.00 41.25 38.95 2dkl s ASN 74 CO 0.78 -0.74 0.57 0.61 -3.72 0.00 0.00 177.10 174.60 2dkl n GLY 75 N -1.91 -3.55 3.86 1.21 0.00 -1.26 -4.99 105.19 98.55 2dkl n GLY 75 Ca 0.05 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 2dkl n GLY 75 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dkl s MET 76 N -4.21 2.38 -0.06 1.61 -1.94 -1.26 -5.04 119.30 110.78 2dkl s MET 76 Ca 0.44 0.43 -0.02 0.00 -1.71 0.00 0.00 55.69 54.83 2dkl s MET 76 Cb -0.08 -1.97 -0.01 0.00 2.01 0.00 0.00 34.83 34.79 2dkl s MET 76 CO 0.37 -1.37 -0.04 0.00 -0.01 0.00 0.00 175.02 173.97 2dkl h ALA 77 N -0.90 0.00 -0.76 3.03 0.00 -2.08 -3.43 119.26 115.12 2dkl h ALA 77 Ca -0.46 -0.15 -0.32 0.00 0.00 0.00 0.00 54.91 53.97 2dkl h ALA 77 Cb 1.28 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2dkl h ALA 77 CO 0.63 0.11 1.25 0.00 0.00 0.00 0.00 179.25 181.24 2dkl n ALA 78 N -2.66 0.61 -1.63 0.00 0.00 -1.26 -4.89 120.51 110.69 2dkl n ALA 78 Ca -0.02 -0.94 -0.36 0.00 0.00 0.00 0.00 53.44 52.12 2dkl n ALA 78 Cb 0.06 -2.97 0.08 0.00 0.00 0.00 0.00 19.45 16.62 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 8.45 2.41 0.20 0.00 2.20 -1.26 -4.90 119.74 126.84 2dkl s LYS 79 Ca 1.08 2.01 -0.10 0.00 -0.36 0.00 0.00 55.97 58.59 2dkl s LYS 79 Cb -0.44 -1.84 0.27 0.00 -1.51 0.00 0.00 37.83 34.31 2dkl s LYS 79 CO 0.29 -1.69 1.73 0.66 -0.36 0.00 0.00 175.35 175.98 2dkl h SER 80 N 0.31 0.15 0.00 1.43 4.64 -1.98 -3.48 113.55 114.62 2dkl h SER 80 Ca -0.50 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2dkl h SER 80 Cb 1.33 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 2dkl h SER 80 CO 0.52 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 2dkl n GLY 81 N -1.30 0.74 3.56 -0.77 0.00 -1.26 -5.02 105.19 101.15 2dkl n GLY 81 Ca 0.08 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.00 2.56 -0.00 1.61 0.04 -1.26 -4.96 135.00 130.99 2dkl s PRO 82 Ca 0.00 -0.22 -0.01 0.00 0.04 0.00 0.00 61.00 60.82 2dkl s PRO 82 Cb 0.00 -5.01 -0.04 0.00 0.04 0.00 0.00 34.50 29.49 2dkl s PRO 82 CO 0.00 -3.33 0.10 -1.54 0.04 0.00 0.00 177.00 172.27 2dkl s SER 83 N 8.05 5.80 -0.15 6.66 1.04 -1.26 -5.03 113.70 128.81 2dkl s SER 83 Ca 0.70 0.18 -0.26 0.00 0.48 0.00 0.00 55.95 57.05 2dkl s SER 83 Cb -0.07 -1.69 -0.25 0.00 0.10 0.00 0.00 66.02 64.10 2dkl s SER 83 CO 0.01 0.27 0.63 0.77 0.98 0.00 0.00 173.24 175.90 2dkl h SER 84 N 4.03 0.07 0.00 7.02 4.64 -2.07 -3.55 113.55 123.69 2dkl h SER 84 Ca -0.49 -0.86 0.00 0.00 -0.47 0.00 0.00 61.79 59.97 2dkl h SER 84 Cb 1.18 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2dkl h SER 84 CO 0.64 1.20 0.00 0.61 -0.87 0.00 0.00 176.83 178.40