#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkl h SER 2 N 0.00 0.00 -3.34 1.61 0.87 -2.11 -3.45 113.55 107.13 2dkl h SER 2 Ca 0.00 -0.74 -0.53 0.00 -1.23 0.00 0.00 61.79 59.29 2dkl h SER 2 Cb 0.00 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.03 2dkl h SER 2 CO 0.00 0.99 0.83 -0.44 -0.53 0.00 0.00 176.83 177.68 2dkl s SER 3 N -6.20 6.50 0.00 6.23 0.01 -1.26 -4.95 113.70 114.03 2dkl s SER 3 Ca -0.18 2.82 0.00 0.00 1.31 0.00 0.00 55.95 59.90 2dkl s SER 3 Cb -0.01 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2dkl s SER 3 CO 0.56 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2dkl n GLY 4 N 2.22 1.32 3.37 3.44 0.00 -1.26 -5.19 105.19 109.08 2dkl n GLY 4 Ca 0.08 0.48 -0.10 0.00 0.00 0.00 0.00 46.02 46.48 2dkl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkl s SER 5 N 0.00 -0.16 0.12 1.61 0.01 -1.26 -5.18 113.70 108.84 2dkl s SER 5 Ca 0.00 -0.49 -0.21 0.00 1.31 0.00 0.00 55.95 56.56 2dkl s SER 5 Cb 0.00 0.48 0.05 0.00 0.21 0.00 0.00 66.02 66.77 2dkl s SER 5 CO 0.00 -0.90 0.51 -0.55 0.41 0.00 0.00 173.24 172.71 2dkl s SER 6 N -2.86 -0.42 0.00 2.44 0.15 -1.26 -5.17 113.70 106.58 2dkl s SER 6 Ca 0.07 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2dkl s SER 6 Cb 0.02 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2dkl s SER 6 CO -0.07 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.11 2dkl n GLY 7 N -0.13 4.68 0.00 9.45 0.00 -1.26 -4.97 105.19 112.97 2dkl n GLY 7 Ca -0.17 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2dkl n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkl n GLY 8 N -1.97 0.00 3.16 -0.02 0.00 -1.26 -5.15 105.19 99.95 2dkl n GLY 8 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.02 -0.11 1.61 -1.94 -1.26 -5.01 119.30 115.62 2dkl s MET 9 Ca 0.00 -0.84 -0.03 0.00 -1.71 0.00 0.00 55.69 53.11 2dkl s MET 9 Cb 0.00 -2.48 -0.05 0.00 2.01 0.00 0.00 34.83 34.30 2dkl s MET 9 CO 0.00 -0.07 2.68 1.63 -0.01 0.00 0.00 175.02 179.25 2dkl n LYS 10 N 4.22 1.65 -3.44 2.03 4.01 -1.26 -4.74 118.16 120.63 2dkl n LYS 10 Ca -0.20 -0.89 -0.43 0.00 -0.51 0.00 0.00 58.31 56.28 2dkl n LYS 10 Cb 0.51 -1.59 -0.03 0.00 -0.51 0.00 0.00 35.03 33.41 2dkl n LYS 10 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2dkl s THR 11 N -0.28 5.26 0.55 -0.18 2.01 -1.26 -5.06 115.64 116.68 2dkl s THR 11 Ca 0.36 -3.11 -0.14 0.00 0.31 0.00 0.00 61.69 59.11 2dkl s THR 11 Cb 0.20 -4.23 -0.12 0.00 0.01 0.00 0.00 72.50 68.35 2dkl s THR 11 CO -0.03 -1.07 -0.30 -1.20 -0.69 0.00 0.00 174.62 171.33 2dkl n SER 12 N 3.19 -3.65 0.00 3.53 7.64 -1.26 -4.82 113.62 118.25 2dkl n SER 12 Ca 0.18 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.45 2dkl n SER 12 Cb 0.41 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 2dkl n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkl n GLY 13 N 2.31 2.35 3.52 0.23 0.00 -1.26 -4.94 105.19 107.39 2dkl n GLY 13 Ca 0.04 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 2dkl n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dkl s LYS 14 N -4.40 3.24 -0.02 1.61 1.02 -1.26 -4.85 119.74 115.08 2dkl s LYS 14 Ca 0.00 -0.37 -0.02 0.00 0.02 0.00 0.00 55.97 55.59 2dkl s LYS 14 Cb 0.00 -4.14 -0.27 0.00 -0.52 0.00 0.00 37.83 32.90 2dkl s LYS 14 CO 0.00 -1.80 0.78 1.96 -0.92 0.00 0.00 175.35 175.37 2dkl h GLN 15 N 9.62 0.23 -3.93 1.68 4.20 -1.92 -3.48 115.11 121.52 2dkl h GLN 15 Ca -0.27 -0.40 -0.11 0.00 0.06 0.00 0.00 58.65 57.93 2dkl h GLN 15 Cb 1.06 0.15 -0.13 0.00 0.30 0.00 0.00 27.48 28.87 2dkl h GLN 15 CO 1.18 1.08 -0.35 -0.51 -0.67 0.00 0.00 178.83 179.56 2dkl s ASP 16 N -6.92 0.06 -0.01 1.46 1.11 -1.26 -5.06 116.67 106.05 2dkl s ASP 16 Ca -0.10 -0.90 0.10 0.00 0.18 0.00 0.00 52.55 51.82 2dkl s ASP 16 Cb 0.07 0.43 -0.23 0.00 1.07 0.00 0.00 42.92 44.26 2dkl s ASP 16 CO 0.84 -0.89 0.77 1.05 1.18 0.00 0.00 175.17 178.13 2dkl h GLU 17 N 2.56 0.02 0.00 8.23 9.09 -2.00 -3.34 114.58 129.14 2dkl h GLU 17 Ca -0.32 -0.04 0.03 0.00 0.05 0.00 0.00 59.36 59.08 2dkl h GLU 17 Cb 1.23 0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 28.30 2dkl h GLU 17 CO 0.49 0.64 -0.19 0.00 0.05 0.00 0.00 179.01 180.00 2dkl h ALA 18 N 0.94 -0.24 -0.74 1.06 0.00 -2.01 -1.71 119.26 116.56 2dkl h ALA 18 Ca -0.24 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.73 2dkl h ALA 18 Cb 1.97 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 20.05 2dkl h ALA 18 CO 0.09 -0.68 0.48 0.11 0.00 0.00 0.00 179.25 179.25 2dkl h TRP 19 N -0.31 0.80 -0.22 0.00 5.08 -1.94 -2.28 115.95 117.08 2dkl h TRP 19 Ca 0.06 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 60.05 2dkl h TRP 19 Cb 0.38 -0.26 -0.01 0.00 -3.00 0.00 0.00 29.16 26.26 2dkl h TRP 19 CO -0.23 0.43 0.14 0.82 -1.28 0.00 0.00 178.44 178.31 2dkl h ILE 20 N 0.80 1.08 -0.87 0.12 2.04 -1.46 -2.80 117.51 116.41 2dkl h ILE 20 Ca 0.31 -0.18 0.27 0.00 1.00 0.00 0.00 64.86 66.26 2dkl h ILE 20 Cb 0.22 0.80 -0.16 0.00 -0.74 0.00 0.00 36.82 36.94 2dkl h ILE 20 CO -0.10 0.08 0.11 0.80 0.00 0.00 0.00 178.15 179.04 2dkl n MET 21 N -4.91 -0.07 -0.17 2.37 1.56 -0.75 0.13 117.12 115.29 2dkl n MET 21 Ca -0.03 1.29 -0.01 0.00 -0.27 0.00 0.00 57.70 58.68 2dkl n MET 21 Cb 0.04 -2.10 0.08 0.00 2.15 0.00 0.00 33.22 33.40 2dkl n MET 21 CO 0.00 0.00 0.00 0.77 -0.73 0.00 0.00 175.97 176.01 2dkl h SER 22 N 0.00 -0.07 -0.84 6.12 0.02 -1.59 -2.38 113.55 114.81 2dkl h SER 22 Ca 0.57 0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.72 2dkl h SER 22 Cb 1.27 0.17 -0.12 0.00 0.14 0.00 0.00 62.40 63.86 2dkl h SER 22 CO -0.79 -0.02 -0.54 0.03 -1.14 0.00 0.00 176.83 174.38 2dkl h ARG 23 N 0.20 -0.10 -0.58 3.45 3.08 0.97 0.83 114.38 122.24 2dkl h ARG 23 Ca 0.28 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.41 2dkl h ARG 23 Cb 0.40 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 2dkl h ARG 23 CO -0.39 -0.06 0.39 -0.07 -1.07 0.00 0.00 179.97 178.77 2dkl h LEU 24 N -0.10 0.41 0.06 3.04 3.38 -1.48 -2.36 115.31 118.26 2dkl h LEU 24 Ca 0.17 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2dkl h LEU 24 Cb 0.49 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2dkl h LEU 24 CO -0.85 0.25 -0.03 0.40 0.09 0.00 0.00 178.44 178.30 2dkl h ILE 25 N 0.46 1.18 -0.72 1.22 1.08 0.83 -3.27 117.51 118.28 2dkl h ILE 25 Ca 0.26 -0.81 0.08 0.00 -0.39 0.00 0.00 64.86 64.01 2dkl h ILE 25 Cb 0.43 1.70 -0.11 0.00 -3.07 0.00 0.00 36.82 35.78 2dkl h ILE 25 CO -0.07 0.20 -0.52 0.50 -0.69 0.00 0.00 178.15 177.56 2dkl h LYS 26 N -0.44 -0.17 -0.98 2.37 3.64 0.04 0.45 116.57 121.48 2dkl h LYS 26 Ca -0.01 0.01 0.33 0.00 -1.27 0.00 0.00 60.65 59.71 2dkl h LYS 26 Cb 0.39 0.04 -0.16 0.00 -0.41 0.00 0.00 32.23 32.08 2dkl h LYS 26 CO 0.01 -0.11 0.41 1.96 -2.27 0.00 0.00 179.45 179.45 2dkl h GLN 27 N -0.18 0.14 0.17 1.90 1.08 -1.59 -0.43 115.11 116.21 2dkl h GLN 27 Ca 0.16 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 2dkl h GLN 27 Cb 0.52 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2dkl h GLN 27 CO -0.78 0.09 -0.08 -0.07 -0.95 0.00 0.00 178.83 177.04 2dkl h LEU 28 N 0.15 -0.20 -1.29 1.46 4.07 -0.35 -3.20 115.31 115.95 2dkl h LEU 28 Ca 0.72 -0.20 0.45 0.00 0.08 0.00 0.00 57.88 58.93 2dkl h LEU 28 Cb 1.69 0.05 -0.15 0.00 1.08 0.00 0.00 40.66 43.33 2dkl h LEU 28 CO -0.72 0.35 0.79 0.71 -1.08 0.00 0.00 178.44 178.49 2dkl h THR 29 N -1.00 0.04 -0.43 0.22 1.35 0.72 1.25 112.91 115.06 2dkl h THR 29 Ca -0.02 -0.01 -0.09 0.00 -0.55 0.00 0.00 66.41 65.73 2dkl h THR 29 Cb 0.38 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.79 2dkl h THR 29 CO 0.04 0.01 -0.10 -0.78 -0.25 0.00 0.00 175.52 174.43 2dkl h ASP 30 N 0.03 0.83 0.59 5.36 3.58 -1.20 -3.27 116.42 122.36 2dkl h ASP 30 Ca 0.86 -0.36 -0.02 0.00 0.42 0.00 0.00 57.03 57.92 2dkl h ASP 30 Cb 2.60 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 43.41 2dkl h ASP 30 CO -0.53 1.00 -0.48 0.24 -2.88 0.00 0.00 179.24 176.59 2dkl h MET 31 N 0.65 -1.01 0.00 0.28 2.86 0.16 -3.46 114.93 114.41 2dkl h MET 31 Ca 0.11 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2dkl h MET 31 Cb 0.64 0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.53 2dkl h MET 31 CO 0.04 -0.67 0.00 0.41 1.06 0.00 0.00 176.91 177.75 2dkl n GLY 32 N -1.57 0.00 3.16 8.32 0.00 -0.98 -4.56 105.19 109.55 2dkl n GLY 32 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 1.39 0.67 1.61 0.08 -1.24 -5.05 117.98 115.44 2dkl s PHE 33 Ca 0.00 -0.33 -0.14 0.00 0.12 0.00 0.00 56.93 56.57 2dkl s PHE 33 Cb 0.00 -0.84 0.01 0.00 -0.57 0.00 0.00 43.02 41.61 2dkl s PHE 33 CO 0.00 0.03 1.11 -1.25 -0.10 0.00 0.00 175.22 175.01 2dkl s PRO 34 N -0.95 2.74 0.44 0.24 0.04 -1.26 -3.70 135.00 132.55 2dkl s PRO 34 Ca 0.04 1.37 0.23 0.00 0.04 0.00 0.00 61.00 62.67 2dkl s PRO 34 Cb -0.08 -1.94 1.01 0.00 0.04 0.00 0.00 34.50 33.54 2dkl s PRO 34 CO 0.01 -1.29 1.88 0.07 0.04 0.00 0.00 177.00 177.71 2dkl h ARG 35 N -0.10 0.00 -0.22 4.56 0.11 -1.98 -3.04 114.38 113.71 2dkl h ARG 35 Ca -0.46 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.64 2dkl h ARG 35 Cb 1.24 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.28 2dkl h ARG 35 CO 0.54 0.24 -0.28 0.93 0.10 0.00 0.00 179.97 181.50 2dkl h GLU 36 N 0.00 -0.19 0.05 0.08 4.39 -2.01 -1.61 114.58 115.29 2dkl h GLU 36 Ca -0.00 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 2dkl h GLU 36 Cb 0.64 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2dkl h GLU 36 CO 0.03 -0.13 -0.02 -1.00 -1.16 0.00 0.00 179.01 176.73 2dkl h PRO 37 N -0.20 -0.06 -1.67 2.33 0.13 -1.97 -3.07 132.00 127.49 2dkl h PRO 37 Ca 0.04 0.00 0.48 0.00 -0.87 0.00 0.00 66.00 65.66 2dkl h PRO 37 Cb 0.30 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.38 2dkl h PRO 37 CO -0.31 0.40 1.31 0.00 -0.23 0.00 0.00 178.00 179.18 2dkl h ALA 38 N 0.35 3.58 0.00 -0.56 0.00 -1.44 0.18 119.26 121.38 2dkl h ALA 38 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2dkl h ALA 38 Cb 0.49 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2dkl h ALA 38 CO 0.01 -2.17 -0.09 1.49 0.00 0.00 0.00 179.25 178.49 2dkl h GLU 39 N 0.00 0.00 -0.27 0.00 4.81 -1.23 -3.18 114.58 114.72 2dkl h GLU 39 Ca 0.79 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 60.09 2dkl h GLU 39 Cb 3.41 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 32.72 2dkl h GLU 39 CO -0.01 0.00 -0.29 0.93 -0.73 0.00 0.00 179.01 178.91 2dkl h GLU 40 N -0.80 -0.28 -0.04 1.92 4.39 -0.95 -1.89 114.58 116.92 2dkl h GLU 40 Ca 0.00 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.73 2dkl h GLU 40 Cb 0.09 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 2dkl h GLU 40 CO 0.00 -0.19 -0.34 0.00 -1.16 0.00 0.00 179.01 177.33 2dkl h ALA 41 N 0.68 -0.75 -0.91 3.43 0.00 -0.93 -1.62 119.26 119.16 2dkl h ALA 41 Ca 0.14 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.23 2dkl h ALA 41 Cb 0.51 0.82 -0.17 0.00 0.00 0.00 0.00 17.79 18.96 2dkl h ALA 41 CO -0.43 -0.86 0.01 -0.07 0.00 0.00 0.00 179.25 177.89 2dkl h LEU 42 N -0.39 -0.45 -1.51 0.00 3.38 -1.47 1.44 115.31 116.31 2dkl h LEU 42 Ca 0.01 0.25 0.13 0.00 0.09 0.00 0.00 57.88 58.36 2dkl h LEU 42 Cb 0.44 0.44 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 2dkl h LEU 42 CO -0.25 -0.28 0.49 0.11 0.09 0.00 0.00 178.44 178.60 2dkl h LYS 43 N 0.05 0.49 0.00 1.13 1.79 -0.49 0.21 116.57 119.74 2dkl h LYS 43 Ca 0.53 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 2dkl h LYS 43 Cb 1.02 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2dkl h LYS 43 CO -0.83 0.33 -1.18 0.43 -1.08 0.00 0.00 179.45 177.12 2dkl n SER 44 N -4.49 0.57 -2.14 0.86 7.64 0.40 -4.05 113.62 112.41 2dkl n SER 44 Ca 0.13 -0.09 -0.16 0.00 1.01 0.00 0.00 58.87 59.76 2dkl n SER 44 Cb 0.45 0.92 0.24 0.00 -1.01 0.00 0.00 64.21 64.81 2dkl n SER 44 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dkl n ASN 45 N -2.14 4.26 -4.23 6.43 3.02 0.35 -4.91 115.26 118.04 2dkl n ASN 45 Ca 0.01 -3.44 -0.32 0.00 -0.03 0.00 0.00 54.58 50.80 2dkl n ASN 45 Cb 0.48 -0.80 -0.06 0.00 -0.61 0.00 0.00 39.78 38.78 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 -0.70 -0.35 -3.74 6.41 3.02 -0.72 -0.57 115.26 118.60 2dkl n ASN 46 Ca 0.52 -1.16 -0.26 0.00 -0.03 0.00 0.00 54.58 53.65 2dkl n ASN 46 Cb 1.56 -2.18 0.02 0.00 -0.61 0.00 0.00 39.78 38.57 2dkl n ASN 46 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2dkl n MET 47 N -4.44 -3.02 -4.43 3.52 2.81 0.53 -4.97 117.12 107.12 2dkl n MET 47 Ca -0.21 0.51 -0.33 0.00 -1.81 0.00 0.00 57.70 55.86 2dkl n MET 47 Cb 0.64 -4.66 -0.16 0.00 -0.71 0.00 0.00 33.22 28.33 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 -4.01 3.30 0.00 7.83 -0.87 0.26 -5.04 114.94 116.41 2dkl s ASN 48 Ca 0.19 -0.58 -0.08 0.00 -1.57 0.00 0.00 52.86 50.82 2dkl s ASN 48 Cb -0.06 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.25 39.63 2dkl s ASN 48 CO 0.85 0.05 0.77 0.25 -2.57 0.00 0.00 177.10 176.44 2dkl h LEU 49 N 7.56 -0.24 -0.88 0.60 5.85 -1.93 0.12 115.31 126.38 2dkl h LEU 49 Ca -0.37 0.01 0.22 0.00 0.84 0.00 0.00 57.88 58.58 2dkl h LEU 49 Cb 1.17 0.06 -0.16 0.00 0.37 0.00 0.00 40.66 42.11 2dkl h LEU 49 CO 0.59 -0.12 0.03 0.44 -0.34 0.00 0.00 178.44 179.04 2dkl h ASP 50 N -0.39 -0.40 -0.07 1.25 3.32 -1.98 0.20 116.42 118.35 2dkl h ASP 50 Ca -0.03 0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2dkl h ASP 50 Cb 0.22 0.41 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 2dkl h ASP 50 CO 0.05 -0.26 0.02 1.56 -1.72 0.00 0.00 179.24 178.89 2dkl h GLN 51 N 0.07 0.10 0.52 3.56 1.08 -1.92 -2.83 115.11 115.68 2dkl h GLN 51 Ca 0.51 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.68 2dkl h GLN 51 Cb 0.99 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.38 2dkl h GLN 51 CO -0.80 0.27 -0.49 0.00 -0.95 0.00 0.00 178.83 176.86 2dkl h ALA 52 N 0.83 -1.11 -0.68 3.87 0.00 0.14 -0.18 119.26 122.12 2dkl h ALA 52 Ca 0.02 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.81 2dkl h ALA 52 Cb 0.21 0.70 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 2dkl h ALA 52 CO -0.00 -1.16 -0.51 0.52 0.00 0.00 0.00 179.25 178.10 2dkl h MET 53 N -1.00 -0.13 -0.17 0.00 2.86 -0.84 0.92 114.93 116.57 2dkl h MET 53 Ca -0.06 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.64 2dkl h MET 53 Cb 0.87 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 2dkl h MET 53 CO -0.05 -0.09 0.16 1.03 1.06 0.00 0.00 176.91 179.02 2dkl h SER 54 N -0.14 0.00 1.09 1.22 0.87 -1.39 0.19 113.55 115.40 2dkl h SER 54 Ca 0.11 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 2dkl h SER 54 Cb 0.43 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2dkl h SER 54 CO -0.71 0.00 -0.27 0.00 -0.53 0.00 0.00 176.83 175.32 2dkl h ALA 55 N 1.85 0.95 0.00 6.23 0.00 0.27 -2.22 119.26 126.34 2dkl h ALA 55 Ca 0.08 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 2dkl h ALA 55 Cb 0.39 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2dkl h ALA 55 CO -0.00 0.34 -1.53 1.28 0.00 0.00 0.00 179.25 179.33 2dkl n LEU 56 N -3.34 1.88 -0.10 0.00 4.77 0.47 -4.43 117.00 116.26 2dkl n LEU 56 Ca 0.01 0.41 -0.07 0.00 -0.03 0.00 0.00 56.01 56.33 2dkl n LEU 56 Cb 0.50 -0.93 0.01 0.00 -2.33 0.00 0.00 43.42 40.67 2dkl n LEU 56 CO 0.35 0.32 0.95 -0.07 -1.33 0.00 0.00 177.39 177.61 2dkl h LEU 57 N -1.00 0.18 -1.18 2.23 4.07 -1.07 -2.11 115.31 116.43 2dkl h LEU 57 Ca -0.42 0.03 0.38 0.00 0.08 0.00 0.00 57.88 57.95 2dkl h LEU 57 Cb 1.35 -0.00 -0.09 0.00 1.08 0.00 0.00 40.66 43.00 2dkl h LEU 57 CO -0.25 0.14 0.80 -1.84 -1.08 0.00 0.00 178.44 176.21 2dkl n GLU 58 N -4.99 -0.02 -0.10 1.13 0.28 -0.83 0.13 120.64 116.24 2dkl n GLU 58 Ca 0.01 0.88 -0.17 0.00 -0.16 0.00 0.00 57.16 57.71 2dkl n GLU 58 Cb 0.11 -1.83 -0.08 0.00 1.43 0.00 0.00 31.44 31.07 2dkl n GLU 58 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2dkl n LYS 59 N -3.88 0.53 -3.87 3.44 4.76 -0.83 -4.84 118.16 113.47 2dkl n LYS 59 Ca 0.31 0.52 -0.35 0.00 -2.87 0.00 0.00 58.31 55.91 2dkl n LYS 59 Cb 1.28 -1.69 -0.13 0.00 -1.84 0.00 0.00 35.03 32.64 2dkl n LYS 59 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2dkl s LYS 60 N -2.37 2.44 -0.24 1.97 -0.14 0.12 -5.08 119.74 116.44 2dkl s LYS 60 Ca -0.26 -1.28 -0.06 0.00 -1.36 0.00 0.00 55.97 53.01 2dkl s LYS 60 Cb 0.06 -3.25 -0.02 0.00 -1.68 0.00 0.00 37.83 32.93 2dkl s LYS 60 CO 0.46 -0.65 0.04 0.54 -0.76 0.00 0.00 175.35 174.98 2dkl s VAL 61 N 1.27 4.13 0.06 3.17 0.11 -1.19 -4.18 120.40 123.77 2dkl s VAL 61 Ca -0.04 -0.24 -0.08 0.00 -2.93 0.00 0.00 61.98 58.70 2dkl s VAL 61 Cb -0.20 -2.91 -0.00 0.00 -1.53 0.00 0.00 36.38 31.73 2dkl s VAL 61 CO -0.01 0.36 0.16 1.51 -3.33 0.00 0.00 175.10 173.80 2dkl s ASP 62 N 1.50 0.13 -0.86 3.54 -4.77 -1.26 -5.10 116.67 109.85 2dkl s ASP 62 Ca 0.06 -0.57 -0.25 0.00 -3.30 0.00 0.00 52.55 48.49 2dkl s ASP 62 Cb -0.15 0.29 0.02 0.00 -1.09 0.00 0.00 42.92 42.00 2dkl s ASP 62 CO 0.02 -0.63 1.48 -0.69 0.70 0.00 0.00 175.17 176.05 2dkl s VAL 63 N -3.24 3.74 0.48 2.11 1.01 -1.26 -4.97 120.40 118.26 2dkl s VAL 63 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.87 2dkl s VAL 63 Cb 0.02 -4.78 0.00 0.00 0.00 0.00 0.00 36.38 31.62 2dkl s VAL 63 CO -0.08 -1.70 0.34 1.51 0.00 0.00 0.00 175.10 175.17 2dkl s ASP 64 N 5.15 4.68 0.81 3.32 1.47 -1.26 -5.08 116.67 125.76 2dkl s ASP 64 Ca 0.46 -1.09 -0.17 0.00 1.18 0.00 0.00 52.55 52.94 2dkl s ASP 64 Cb -0.05 -0.05 -0.15 0.00 -0.34 0.00 0.00 42.92 42.34 2dkl s ASP 64 CO 0.04 -0.85 -0.57 1.17 0.68 0.00 0.00 175.17 175.63 2dkl n LYS 65 N -1.58 0.00 -0.65 2.11 4.81 -1.26 -4.86 118.16 116.73 2dkl n LYS 65 Ca -0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 2dkl n LYS 65 Cb 0.64 -0.97 0.18 0.00 0.02 0.00 0.00 35.03 34.90 2dkl n LYS 65 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2dkl n ARG 66 N 2.11 -1.01 -0.76 1.64 1.85 -1.26 -4.96 116.66 114.27 2dkl n ARG 66 Ca 0.01 -0.24 -0.29 0.00 -1.00 0.00 0.00 57.85 56.33 2dkl n ARG 66 Cb 0.52 -2.17 0.20 0.00 -1.05 0.00 0.00 32.46 29.96 2dkl n ARG 66 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2dkl s GLY 67 N -2.40 1.59 -0.06 2.89 0.00 -1.26 -5.01 107.32 103.08 2dkl s GLY 67 Ca 0.65 0.02 -0.13 0.00 0.00 0.00 0.00 44.72 45.26 2dkl s GLY 67 CO 0.62 0.62 0.33 -2.27 0.00 0.00 0.00 173.10 172.40 2dkl s LEU 68 N -6.83 4.41 0.06 0.66 2.96 -1.26 -5.09 118.68 113.58 2dkl s LEU 68 Ca 0.67 0.76 0.05 0.00 -0.22 0.00 0.00 54.13 55.39 2dkl s LEU 68 Cb -0.23 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 2dkl s LEU 68 CO 0.61 0.30 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.97 2dkl s GLY 69 N -0.74 0.80 0.11 7.98 0.00 -1.26 -5.10 107.32 109.10 2dkl s GLY 69 Ca 0.20 -0.90 -0.33 0.00 0.00 0.00 0.00 44.72 43.69 2dkl s GLY 69 CO 0.09 -0.91 0.77 1.55 0.00 0.00 0.00 173.10 174.61 2dkl n VAL 70 N 1.57 1.06 -1.93 1.40 3.14 -1.26 -4.88 118.33 117.44 2dkl n VAL 70 Ca -0.20 -0.27 -0.26 0.00 -2.96 0.00 0.00 64.34 60.66 2dkl n VAL 70 Cb 0.54 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.35 2dkl n VAL 70 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2dkl n THR 71 N 0.70 2.69 -0.30 1.55 5.66 -1.26 -4.83 114.28 118.48 2dkl n THR 71 Ca 0.19 -4.04 0.11 0.00 -3.05 0.00 0.00 64.05 57.26 2dkl n THR 71 Cb 0.17 -1.14 0.25 0.00 -1.55 0.00 0.00 70.33 68.06 2dkl n THR 71 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2dkl h ASP 72 N 2.16 -0.28 -0.41 1.09 3.58 -1.95 -0.98 116.42 119.63 2dkl h ASP 72 Ca 0.40 0.23 0.05 0.00 0.42 0.00 0.00 57.03 58.13 2dkl h ASP 72 Cb 1.42 0.37 -0.08 0.00 1.72 0.00 0.00 39.33 42.77 2dkl h ASP 72 CO 0.88 -0.24 -0.49 -0.74 -2.88 0.00 0.00 179.24 175.77 2dkl h HIS 73 N 0.10 -1.52 -3.72 0.28 2.76 -2.01 -3.36 115.15 107.68 2dkl h HIS 73 Ca 0.53 0.08 -0.67 0.00 -2.20 0.00 0.00 60.37 58.10 2dkl h HIS 73 Cb 1.05 0.72 -0.19 0.00 1.55 0.00 0.00 27.41 30.53 2dkl h HIS 73 CO -0.40 -0.42 -0.48 1.21 -1.30 0.00 0.00 177.93 176.54 2dkl s ASN 74 N -4.81 6.04 0.00 3.26 3.84 -0.37 -4.61 114.94 118.29 2dkl s ASN 74 Ca -0.12 -0.40 0.00 0.00 0.21 0.00 0.00 52.86 52.55 2dkl s ASN 74 Cb 0.08 -2.13 0.00 0.00 -0.55 0.00 0.00 41.25 38.64 2dkl s ASN 74 CO 0.54 -0.22 0.00 0.61 -2.79 0.00 0.00 177.10 175.24 2dkl n GLY 75 N 5.10 0.27 3.66 1.21 0.00 -1.26 -4.80 105.19 109.38 2dkl n GLY 75 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2dkl n GLY 75 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dkl s MET 76 N 0.00 2.03 -0.23 1.61 0.23 -1.26 -5.01 119.30 116.67 2dkl s MET 76 Ca 0.00 -2.21 0.02 0.00 -1.03 0.00 0.00 55.69 52.47 2dkl s MET 76 Cb 0.00 -1.57 0.05 0.00 -1.53 0.00 0.00 34.83 31.78 2dkl s MET 76 CO 0.00 -0.16 -0.12 0.00 -2.03 0.00 0.00 175.02 172.71 2dkl s ALA 77 N -2.79 2.36 0.29 3.16 0.00 -1.26 -5.12 121.76 118.40 2dkl s ALA 77 Ca 0.25 -1.52 0.07 0.00 0.00 0.00 0.00 51.96 50.76 2dkl s ALA 77 Cb 0.07 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 2dkl s ALA 77 CO 0.13 -0.97 0.25 0.00 0.00 0.00 0.00 175.76 175.17 2dkl s ALA 78 N 1.22 3.73 -0.64 0.00 0.00 -1.26 -5.06 121.76 119.74 2dkl s ALA 78 Ca -0.05 -1.49 -0.25 0.00 0.00 0.00 0.00 51.96 50.17 2dkl s ALA 78 Cb -0.18 -1.30 0.04 0.00 0.00 0.00 0.00 23.12 21.68 2dkl s ALA 78 CO -0.07 0.15 1.09 0.21 0.00 0.00 0.00 175.76 177.14 2dkl s LYS 79 N -3.92 3.25 0.13 0.00 2.47 -1.26 -4.98 119.74 115.44 2dkl s LYS 79 Ca 0.36 -0.34 -0.11 0.00 -1.56 0.00 0.00 55.97 54.33 2dkl s LYS 79 Cb -0.07 -4.14 0.00 0.00 -1.46 0.00 0.00 37.83 32.17 2dkl s LYS 79 CO 0.26 -1.81 0.29 -1.12 0.16 0.00 0.00 175.35 173.13 2dkl s SER 80 N 3.37 0.00 0.00 1.43 0.01 -1.26 -5.13 113.70 112.13 2dkl s SER 80 Ca 0.31 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2dkl s SER 80 Cb -0.12 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2dkl s SER 80 CO 0.16 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.58 2dkl n GLY 81 N -0.17 -1.86 3.71 3.44 0.00 -1.26 -5.17 105.19 103.87 2dkl n GLY 81 Ca -0.12 0.96 -0.30 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 1.08 -0.25 1.61 0.04 -1.26 -5.08 135.00 131.14 2dkl s PRO 82 Ca 0.00 0.76 -0.04 0.00 0.04 0.00 0.00 61.00 61.76 2dkl s PRO 82 Cb 0.00 -1.79 0.14 0.00 0.04 0.00 0.00 34.50 32.89 2dkl s PRO 82 CO 0.00 -2.35 0.47 -1.12 0.04 0.00 0.00 177.00 174.04 2dkl s SER 83 N -3.42 -0.42 -0.08 6.66 0.01 -1.26 -5.15 113.70 110.03 2dkl s SER 83 Ca 0.64 0.68 -0.03 0.00 1.31 0.00 0.00 55.95 58.55 2dkl s SER 83 Cb -0.18 1.56 -0.04 0.00 0.21 0.00 0.00 66.02 67.57 2dkl s SER 83 CO 0.57 -0.27 0.06 -0.94 0.41 0.00 0.00 173.24 173.08 2dkl s SER 84 N 2.68 5.70 0.00 2.44 1.04 -1.26 -5.39 113.70 118.91 2dkl s SER 84 Ca 0.10 0.25 0.13 0.00 0.48 0.00 0.00 55.95 56.91 2dkl s SER 84 Cb -0.14 -1.70 0.10 0.00 0.10 0.00 0.00 66.02 64.38 2dkl s SER 84 CO -0.17 0.37 0.91 0.61 0.98 0.00 0.00 173.24 175.94