#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 -0.63 0.34 1.61 0.01 -1.26 -5.17 113.70 108.60 2dkl s SER 2 Ca 0.00 1.15 0.08 0.00 1.31 0.00 0.00 55.95 58.49 2dkl s SER 2 Cb 0.00 1.23 -0.03 0.00 0.21 0.00 0.00 66.02 67.43 2dkl s SER 2 CO 0.00 -0.22 0.22 -0.44 0.41 0.00 0.00 173.24 173.21 2dkl s SER 3 N 1.91 4.99 0.00 2.44 0.01 -1.26 -5.10 113.70 116.70 2dkl s SER 3 Ca -0.07 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.55 2dkl s SER 3 Cb -0.09 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.29 2dkl s SER 3 CO -0.15 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.78 2dkl n GLY 4 N -1.27 4.09 3.79 3.44 0.00 -1.26 -5.19 105.19 108.79 2dkl n GLY 4 Ca -0.02 -0.76 -0.04 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 -0.12 0.05 1.61 1.04 -1.26 -5.19 113.70 109.84 2dkl s SER 5 Ca 0.00 -0.52 -0.04 0.00 0.48 0.00 0.00 55.95 55.88 2dkl s SER 5 Cb 0.00 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 2dkl s SER 5 CO 0.00 -0.97 0.05 -0.55 0.98 0.00 0.00 173.24 172.75 2dkl s SER 6 N -3.06 0.32 0.00 7.02 0.15 -1.26 -5.15 113.70 111.72 2dkl s SER 6 Ca 0.15 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.02 2dkl s SER 6 Cb -0.02 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2dkl s SER 6 CO 0.04 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.49 2dkl n GLY 7 N 0.31 4.99 0.00 9.45 0.00 -1.26 -5.19 105.19 113.49 2dkl n GLY 7 Ca -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.96 1.75 1.76 -0.02 0.00 -1.26 -5.00 105.19 100.46 2dkl n GLY 8 Ca 0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 2dkl n GLY 8 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2dkl n MET 9 N 0.00 1.49 -0.01 1.61 1.56 -1.26 -4.61 117.12 115.90 2dkl n MET 9 Ca 0.00 -0.68 -0.15 0.00 -0.27 0.00 0.00 57.70 56.60 2dkl n MET 9 Cb 0.00 -1.43 -0.10 0.00 2.15 0.00 0.00 33.22 33.84 2dkl n MET 9 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 2dkl h LYS 10 N 1.72 -0.54 -4.60 2.12 3.64 -2.05 -3.40 116.57 113.46 2dkl h LYS 10 Ca 0.12 0.04 -0.56 0.00 -1.27 0.00 0.00 60.65 58.98 2dkl h LYS 10 Cb 1.09 0.12 -0.35 0.00 -0.41 0.00 0.00 32.23 32.69 2dkl h LYS 10 CO 0.25 -0.36 -0.82 0.99 -2.27 0.00 0.00 179.45 177.23 2dkl s THR 11 N -5.63 1.34 0.35 1.00 2.01 -1.26 -5.13 115.64 108.31 2dkl s THR 11 Ca -0.15 -0.54 -0.13 0.00 0.31 0.00 0.00 61.69 61.18 2dkl s THR 11 Cb 0.07 -1.25 -0.08 0.00 0.01 0.00 0.00 72.50 71.25 2dkl s THR 11 CO 0.59 0.41 0.74 -0.94 -0.69 0.00 0.00 174.62 174.74 2dkl s SER 12 N 1.10 6.68 0.00 3.53 1.04 -1.26 -4.59 113.70 120.20 2dkl s SER 12 Ca -0.05 1.22 0.00 0.00 0.48 0.00 0.00 55.95 57.60 2dkl s SER 12 Cb -0.14 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2dkl s SER 12 CO -0.03 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2dkl n GLY 13 N -0.68 2.15 3.57 7.32 0.00 -1.26 -5.02 105.19 111.27 2dkl n GLY 13 Ca 0.03 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 2dkl n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dkl s LYS 14 N 0.00 2.04 0.49 1.61 2.47 -1.26 -4.91 119.74 120.17 2dkl s LYS 14 Ca 0.00 -0.46 -0.19 0.00 -1.56 0.00 0.00 55.97 53.77 2dkl s LYS 14 Cb 0.00 -5.05 -0.15 0.00 -1.46 0.00 0.00 37.83 31.17 2dkl s LYS 14 CO 0.00 -4.26 -0.02 0.00 0.16 0.00 0.00 175.35 171.22 2dkl n GLN 15 N 8.51 0.05 -4.43 4.03 0.00 -1.26 -4.99 117.38 119.29 2dkl n GLN 15 Ca 0.43 0.02 -0.21 0.00 0.00 0.00 0.00 57.00 57.24 2dkl n GLN 15 Cb 0.46 -1.06 -0.09 0.00 0.00 0.00 0.00 30.24 29.54 2dkl n GLN 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2dkl s ASP 16 N -1.01 2.14 -0.08 2.61 1.01 -1.26 -5.07 116.67 115.01 2dkl s ASP 16 Ca 0.58 -1.51 0.07 0.00 0.71 0.00 0.00 52.55 52.40 2dkl s ASP 16 Cb -0.52 0.25 -0.24 0.00 1.01 0.00 0.00 42.92 43.42 2dkl s ASP 16 CO 0.64 -0.79 0.50 -0.62 0.21 0.00 0.00 175.17 175.12 2dkl n GLU 17 N -0.70 0.67 0.01 8.23 1.02 -1.26 -3.97 120.64 124.64 2dkl n GLU 17 Ca -0.02 0.26 -0.10 0.00 -0.02 0.00 0.00 57.16 57.28 2dkl n GLU 17 Cb 0.66 -1.74 -0.03 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 0.70 -0.22 -0.47 0.62 0.00 -2.01 -0.66 119.26 117.22 2dkl h ALA 18 Ca -0.36 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.61 2dkl h ALA 18 Cb 2.03 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 20.26 2dkl h ALA 18 CO 0.07 -0.70 0.31 0.11 0.00 0.00 0.00 179.25 179.04 2dkl h TRP 19 N -0.31 0.56 -0.13 0.00 5.08 -2.01 -2.53 115.95 116.60 2dkl h TRP 19 Ca 0.10 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 60.07 2dkl h TRP 19 Cb 0.45 -0.19 -0.01 0.00 -3.00 0.00 0.00 29.16 26.42 2dkl h TRP 19 CO -0.33 0.34 0.05 0.82 -1.28 0.00 0.00 178.44 178.04 2dkl h ILE 20 N 0.59 1.17 -0.74 0.12 2.04 -1.33 -3.01 117.51 116.35 2dkl h ILE 20 Ca 0.18 -0.51 0.23 0.00 1.00 0.00 0.00 64.86 65.75 2dkl h ILE 20 Cb -0.00 1.26 -0.14 0.00 -0.74 0.00 0.00 36.82 37.20 2dkl h ILE 20 CO -0.04 0.16 0.11 0.80 0.00 0.00 0.00 178.15 179.17 2dkl n MET 21 N -4.87 -0.06 -0.03 2.37 1.56 -0.38 0.15 117.12 115.86 2dkl n MET 21 Ca -0.05 1.08 -0.08 0.00 -0.27 0.00 0.00 57.70 58.38 2dkl n MET 21 Cb 0.13 -1.77 -0.02 0.00 2.15 0.00 0.00 33.22 33.70 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 -0.34 -0.91 6.12 0.02 -1.63 -2.66 113.55 114.14 2dkl h SER 22 Ca 0.49 0.08 0.11 0.00 -0.84 0.00 0.00 61.79 61.64 2dkl h SER 22 Cb 1.11 0.19 -0.13 0.00 0.14 0.00 0.00 62.40 63.70 2dkl h SER 22 CO -0.66 -0.14 -0.44 0.54 -1.14 0.00 0.00 176.83 174.99 2dkl n ARG 23 N -5.26 -0.30 -0.24 3.45 1.74 0.40 0.15 116.66 116.62 2dkl n ARG 23 Ca -0.02 1.39 0.04 0.00 -0.77 0.00 0.00 57.85 58.49 2dkl n ARG 23 Cb 0.18 -2.05 0.28 0.00 -1.02 0.00 0.00 32.46 29.85 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 0.81 0.07 0.55 3.38 -1.50 -2.63 115.31 116.00 2dkl h LEU 24 Ca 0.24 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2dkl h LEU 24 Cb 0.47 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2dkl h LEU 24 CO -0.88 0.54 -0.04 0.40 0.09 0.00 0.00 178.44 178.56 2dkl h ILE 25 N 0.93 1.08 -0.81 1.22 1.08 0.17 -3.15 117.51 118.03 2dkl h ILE 25 Ca 0.33 -0.55 0.15 0.00 -0.39 0.00 0.00 64.86 64.40 2dkl h ILE 25 Cb 0.12 1.44 -0.15 0.00 -3.07 0.00 0.00 36.82 35.16 2dkl h ILE 25 CO -0.11 0.14 -0.27 0.50 -0.69 0.00 0.00 178.15 177.72 2dkl h LYS 26 N -0.35 -0.04 -1.06 2.37 3.64 -0.12 0.91 116.57 121.93 2dkl h LYS 26 Ca -0.01 0.00 0.28 0.00 -1.27 0.00 0.00 60.65 59.65 2dkl h LYS 26 Cb 0.30 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.04 2dkl h LYS 26 CO 0.02 -0.02 0.70 1.96 -2.27 0.00 0.00 179.45 179.83 2dkl h GLN 27 N -0.04 0.30 0.00 1.90 4.20 -1.49 -1.16 115.11 118.82 2dkl h GLN 27 Ca 0.36 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.97 2dkl h GLN 27 Cb 0.60 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2dkl h GLN 27 CO -0.85 0.20 -0.44 -0.07 -0.67 0.00 0.00 178.83 177.00 2dkl h LEU 28 N 0.31 0.00 -1.56 1.46 4.07 0.62 -3.23 115.31 116.97 2dkl h LEU 28 Ca 0.59 -0.78 0.16 0.00 0.08 0.00 0.00 57.88 57.92 2dkl h LEU 28 Cb 1.66 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.38 2dkl h LEU 28 CO -0.24 1.15 0.72 0.71 -1.08 0.00 0.00 178.44 179.69 2dkl h THR 29 N -1.00 0.18 0.08 0.22 1.35 0.37 0.82 112.91 114.94 2dkl h THR 29 Ca -0.12 0.00 -0.29 0.00 -0.55 0.00 0.00 66.41 65.46 2dkl h THR 29 Cb 1.06 0.40 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 2dkl h THR 29 CO -0.07 0.00 -1.45 -0.78 -0.25 0.00 0.00 175.52 172.97 2dkl h ASP 30 N 0.00 0.27 0.46 5.36 3.58 -1.35 -3.39 116.42 121.36 2dkl h ASP 30 Ca 0.26 -0.37 -0.02 0.00 0.42 0.00 0.00 57.03 57.31 2dkl h ASP 30 Cb 1.69 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.66 2dkl h ASP 30 CO -0.00 1.31 -0.22 0.24 -2.88 0.00 0.00 179.24 177.69 2dkl h MET 31 N 0.05 -0.59 0.00 0.28 2.86 0.65 -3.47 114.93 114.70 2dkl h MET 31 Ca -0.20 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2dkl h MET 31 Cb 1.97 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.76 2dkl h MET 31 CO 0.15 -0.40 0.00 0.41 1.06 0.00 0.00 176.91 178.13 2dkl n GLY 32 N -0.74 0.00 2.93 8.32 0.00 -0.95 -5.13 105.19 109.63 2dkl n GLY 32 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 0.07 0.70 1.61 0.08 -1.23 -5.07 117.98 114.15 2dkl s PHE 33 Ca 0.00 -0.14 -0.13 0.00 0.12 0.00 0.00 56.93 56.78 2dkl s PHE 33 Cb 0.00 -0.06 0.02 0.00 -0.57 0.00 0.00 43.02 42.41 2dkl s PHE 33 CO 0.00 -0.09 1.10 -1.25 -0.10 0.00 0.00 175.22 174.89 2dkl s PRO 34 N -0.55 2.60 0.39 0.24 0.04 -1.26 -3.74 135.00 132.73 2dkl s PRO 34 Ca -0.06 1.31 0.17 0.00 0.04 0.00 0.00 61.00 62.46 2dkl s PRO 34 Cb -0.04 -1.93 0.81 0.00 0.04 0.00 0.00 34.50 33.39 2dkl s PRO 34 CO -0.00 -1.40 1.82 0.07 0.04 0.00 0.00 177.00 177.53 2dkl h ARG 35 N -0.40 0.00 -0.29 4.56 0.11 -1.98 -3.02 114.38 113.37 2dkl h ARG 35 Ca -0.46 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.65 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 0.53 0.34 -0.27 0.93 0.10 0.00 0.00 179.97 181.61 2dkl h GLU 36 N 0.00 -0.12 0.05 0.08 4.39 -2.01 -1.41 114.58 115.56 2dkl h GLU 36 Ca -0.00 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dkl h GLU 36 Cb 0.72 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2dkl h GLU 36 CO 0.04 -0.08 -0.02 -1.00 -1.16 0.00 0.00 179.01 176.79 2dkl h PRO 37 N -0.12 -0.06 -1.05 2.33 0.13 -1.97 -3.09 132.00 128.17 2dkl h PRO 37 Ca 0.05 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 65.49 2dkl h PRO 37 Cb 0.25 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.35 2dkl h PRO 37 CO -0.34 0.40 1.15 0.00 -0.23 0.00 0.00 178.00 178.98 2dkl h ALA 38 N 0.35 2.96 0.00 -0.56 0.00 -1.38 0.18 119.26 120.82 2dkl h ALA 38 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dkl h ALA 38 Cb 0.49 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2dkl h ALA 38 CO 0.01 -1.69 -0.16 1.49 0.00 0.00 0.00 179.25 178.90 2dkl h GLU 39 N 0.00 0.00 -0.81 0.00 4.81 -1.18 -3.19 114.58 114.22 2dkl h GLU 39 Ca 0.50 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.90 2dkl h GLU 39 Cb 2.79 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 32.06 2dkl h GLU 39 CO -0.01 0.00 0.33 1.05 -0.73 0.00 0.00 179.01 179.65 2dkl h GLU 40 N -0.75 0.42 0.08 1.92 4.11 -0.99 -2.62 114.58 116.74 2dkl h GLU 40 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 2dkl h GLU 40 Cb 0.16 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2dkl h GLU 40 CO 0.00 0.28 -0.05 0.00 0.07 0.00 0.00 179.01 179.30 2dkl h ALA 41 N 1.60 -0.90 -0.74 1.06 0.00 -0.90 -2.98 119.26 116.40 2dkl h ALA 41 Ca 0.46 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.50 2dkl h ALA 41 Cb 0.76 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.60 2dkl h ALA 41 CO -0.45 -0.90 -0.18 1.28 0.00 0.00 0.00 179.25 179.00 2dkl n LEU 42 N -2.51 -0.26 -0.27 0.00 4.77 -1.08 0.18 117.00 117.83 2dkl n LEU 42 Ca -0.02 1.28 0.08 0.00 -0.03 0.00 0.00 56.01 57.32 2dkl n LEU 42 Cb 0.05 -0.39 0.20 0.00 -2.33 0.00 0.00 43.42 40.96 2dkl n LEU 42 CO 0.04 -1.23 0.87 0.11 -1.33 0.00 0.00 177.39 175.85 2dkl h LYS 43 N 0.00 0.15 0.00 3.23 1.79 -1.32 0.36 116.57 120.78 2dkl h LYS 43 Ca 0.36 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.81 2dkl h LYS 43 Cb 0.55 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2dkl h LYS 43 CO -0.76 0.10 -0.73 1.03 -1.08 0.00 0.00 179.45 178.01 2dkl h SER 44 N 0.16 0.00 -0.38 0.86 0.87 0.20 -3.28 113.55 111.97 2dkl h SER 44 Ca 0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 2dkl h SER 44 Cb 0.85 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2dkl h SER 44 CO -0.65 0.03 0.00 0.59 -0.53 0.00 0.00 176.83 176.27 2dkl n ASN 45 N -2.81 3.25 -3.77 6.23 3.02 0.17 -4.91 115.26 116.44 2dkl n ASN 45 Ca 0.01 -2.34 -0.24 0.00 -0.03 0.00 0.00 54.58 51.98 2dkl n ASN 45 Cb 0.56 -0.49 0.03 0.00 -0.61 0.00 0.00 39.78 39.27 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 0.54 -2.08 -3.94 6.41 5.15 0.67 -1.84 115.26 120.18 2dkl n ASN 46 Ca 0.16 -0.82 -0.25 0.00 -0.60 0.00 0.00 54.58 53.06 2dkl n ASN 46 Cb 0.64 -3.95 -0.02 0.00 -0.53 0.00 0.00 39.78 35.92 2dkl n ASN 46 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2dkl n MET 47 N -4.39 -3.27 -4.48 1.20 2.81 0.81 -4.97 117.12 104.84 2dkl n MET 47 Ca -0.21 0.41 -0.30 0.00 -1.81 0.00 0.00 57.70 55.79 2dkl n MET 47 Cb 0.64 -4.52 -0.13 0.00 -0.71 0.00 0.00 33.22 28.50 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 -4.35 3.55 -0.15 7.83 2.47 -0.77 -5.05 114.94 118.46 2dkl s ASN 48 Ca 0.01 -0.62 -0.20 0.00 0.42 0.00 0.00 52.86 52.48 2dkl s ASN 48 Cb -0.01 -0.39 -0.24 0.00 -1.45 0.00 0.00 41.25 39.17 2dkl s ASN 48 CO 0.89 0.20 0.44 0.25 -3.72 0.00 0.00 177.10 175.16 2dkl h LEU 49 N 4.07 0.16 -1.12 3.21 5.85 -1.93 -2.26 115.31 123.28 2dkl h LEU 49 Ca -0.49 -0.74 -0.02 0.00 0.84 0.00 0.00 57.88 57.47 2dkl h LEU 49 Cb 1.16 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 2dkl h LEU 49 CO 0.43 1.47 0.35 0.44 -0.34 0.00 0.00 178.44 180.79 2dkl h ASP 50 N -0.70 0.86 0.25 1.25 3.32 -1.96 0.23 116.42 119.68 2dkl h ASP 50 Ca -0.27 -0.08 -0.34 0.00 0.02 0.00 0.00 57.03 56.36 2dkl h ASP 50 Cb 1.45 -0.22 0.04 0.00 0.22 0.00 0.00 39.33 40.82 2dkl h ASP 50 CO -0.06 0.72 -1.47 1.56 -1.72 0.00 0.00 179.24 178.26 2dkl h GLN 51 N 0.97 0.55 0.10 3.56 1.08 -1.88 -3.20 115.11 116.28 2dkl h GLN 51 Ca 0.24 -0.93 -0.01 0.00 -1.45 0.00 0.00 58.65 56.51 2dkl h GLN 51 Cb 0.07 0.34 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2dkl h GLN 51 CO -0.04 1.44 -0.05 0.00 -0.95 0.00 0.00 178.83 179.24 2dkl h ALA 52 N 0.15 -0.14 -0.01 3.87 0.00 -1.18 -2.03 119.26 119.93 2dkl h ALA 52 Ca -0.26 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.52 2dkl h ALA 52 Cb 2.16 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.96 2dkl h ALA 52 CO 0.28 -0.44 -0.39 0.52 0.00 0.00 0.00 179.25 179.22 2dkl h MET 53 N -0.42 -0.47 -0.92 0.00 2.86 -0.68 -0.74 114.93 114.56 2dkl h MET 53 Ca -0.01 0.03 0.19 0.00 -2.06 0.00 0.00 59.70 57.85 2dkl h MET 53 Cb 0.34 0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.04 2dkl h MET 53 CO 0.02 -0.31 0.60 1.03 1.06 0.00 0.00 176.91 179.31 2dkl h SER 54 N -0.48 0.54 0.11 1.22 0.87 -1.62 0.42 113.55 114.60 2dkl h SER 54 Ca 0.01 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2dkl h SER 54 Cb 0.52 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2dkl h SER 54 CO -0.26 0.22 -0.08 0.00 -0.53 0.00 0.00 176.83 176.18 2dkl h ALA 55 N 1.61 1.70 0.00 6.23 0.00 -0.40 0.89 119.26 129.30 2dkl h ALA 55 Ca 0.49 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 55.07 2dkl h ALA 55 Cb 1.02 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2dkl h ALA 55 CO -0.22 0.10 -1.46 1.28 0.00 0.00 0.00 179.25 178.95 2dkl n LEU 56 N -4.21 1.88 -0.14 0.00 4.77 0.12 -4.42 117.00 115.00 2dkl n LEU 56 Ca -0.03 0.42 -0.05 0.00 -0.03 0.00 0.00 56.01 56.33 2dkl n LEU 56 Cb 0.16 -0.92 0.04 0.00 -2.33 0.00 0.00 43.42 40.37 2dkl n LEU 56 CO 0.33 0.25 0.97 -0.07 -1.33 0.00 0.00 177.39 177.55 2dkl h LEU 57 N -1.00 0.23 -0.76 2.23 4.07 -0.63 -2.22 115.31 117.23 2dkl h LEU 57 Ca -0.38 0.04 0.31 0.00 0.08 0.00 0.00 57.88 57.93 2dkl h LEU 57 Cb 1.29 0.01 -0.13 0.00 1.08 0.00 0.00 40.66 42.91 2dkl h LEU 57 CO -0.23 0.16 0.42 -1.84 -1.08 0.00 0.00 178.44 175.87 2dkl n GLU 58 N -4.97 -0.04 -0.31 1.13 -0.00 0.30 0.84 120.64 117.59 2dkl n GLU 58 Ca 0.04 1.02 0.05 0.00 -0.00 0.00 0.00 57.16 58.27 2dkl n GLU 58 Cb 0.15 -1.84 0.14 0.00 -0.00 0.00 0.00 31.44 29.90 2dkl n GLU 58 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2dkl h LYS 59 N 0.00 0.01 -5.95 3.44 1.79 -1.62 -3.41 116.57 110.82 2dkl h LYS 59 Ca 0.63 -0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 58.53 2dkl h LYS 59 Cb 1.70 -0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.30 2dkl h LYS 59 CO -0.55 0.01 -0.34 0.21 -1.08 0.00 0.00 179.45 177.69 2dkl s LYS 60 N -6.21 2.29 -0.23 3.15 2.20 0.25 -5.07 119.74 116.11 2dkl s LYS 60 Ca -0.14 -1.94 -0.29 0.00 -0.36 0.00 0.00 55.97 53.24 2dkl s LYS 60 Cb 0.25 -2.12 -0.01 0.00 -1.51 0.00 0.00 37.83 34.45 2dkl s LYS 60 CO 0.77 -0.49 1.30 0.54 -0.36 0.00 0.00 175.35 177.10 2dkl s VAL 61 N -2.71 4.19 0.16 4.02 0.11 -1.26 -4.94 120.40 119.97 2dkl s VAL 61 Ca 0.36 1.39 -0.34 0.00 -2.93 0.00 0.00 61.98 60.47 2dkl s VAL 61 Cb -0.02 -4.06 -0.16 0.00 -1.53 0.00 0.00 36.38 30.62 2dkl s VAL 61 CO 0.22 -0.30 1.25 -0.90 -3.33 0.00 0.00 175.10 172.04 2dkl n ASP 62 N 7.16 1.65 -3.93 3.54 5.75 -1.26 -4.97 116.55 124.50 2dkl n ASP 62 Ca 0.14 1.13 -0.27 0.00 -0.01 0.00 0.00 54.79 55.79 2dkl n ASP 62 Cb 0.46 -1.24 -0.17 0.00 -1.03 0.00 0.00 41.12 39.13 2dkl n ASP 62 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2dkl s VAL 63 N 0.03 1.06 -0.39 2.12 0.11 -1.26 -5.08 120.40 116.99 2dkl s VAL 63 Ca 0.75 -0.32 -0.36 0.00 -2.93 0.00 0.00 61.98 59.12 2dkl s VAL 63 Cb -0.84 -1.06 -0.15 0.00 -1.53 0.00 0.00 36.38 32.79 2dkl s VAL 63 CO 0.50 0.37 1.37 -0.90 -3.33 0.00 0.00 175.10 173.10 2dkl n ASP 64 N 4.78 0.86 -4.16 3.54 5.75 -1.26 -4.91 116.55 121.14 2dkl n ASP 64 Ca -0.14 0.83 -0.25 0.00 -0.01 0.00 0.00 54.79 55.22 2dkl n ASP 64 Cb 0.50 -0.69 -0.08 0.00 -1.03 0.00 0.00 41.12 39.81 2dkl n ASP 64 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2dkl s LYS 65 N 2.96 1.91 -1.07 0.11 0.00 -1.26 -5.08 119.74 117.32 2dkl s LYS 65 Ca 0.85 -2.16 -0.18 0.00 0.00 0.00 0.00 55.97 54.48 2dkl s LYS 65 Cb -1.18 -0.65 0.12 0.00 0.00 0.00 0.00 37.83 36.12 2dkl s LYS 65 CO 0.61 -0.45 1.35 -0.98 0.00 0.00 0.00 175.35 175.88 2dkl s ARG 66 N -3.73 3.78 0.46 1.78 1.70 -1.26 -5.00 118.95 116.68 2dkl s ARG 66 Ca 0.24 -1.88 -0.21 0.00 -0.47 0.00 0.00 55.73 53.41 2dkl s ARG 66 Cb 0.03 -5.13 -0.11 0.00 -0.57 0.00 0.00 34.95 29.17 2dkl s ARG 66 CO 0.14 -1.92 0.61 0.41 -1.08 0.00 0.00 175.30 173.46 2dkl n GLY 67 N 5.40 -1.30 3.50 3.88 0.00 -1.26 -4.66 105.19 110.75 2dkl n GLY 67 Ca 0.32 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 2dkl n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dkl n LEU 68 N 0.96 1.36 0.00 0.99 4.32 -1.26 -4.35 117.00 119.02 2dkl n LEU 68 Ca 0.11 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 2dkl n LEU 68 Cb 0.42 -1.23 0.00 0.00 -1.62 0.00 0.00 43.42 40.99 2dkl n LEU 68 CO 0.54 -1.06 0.00 0.61 -1.22 0.00 0.00 177.39 176.26 2dkl n GLY 69 N 6.35 2.21 0.07 -0.72 0.00 -1.26 -5.02 105.19 106.82 2dkl n GLY 69 Ca 0.51 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 2dkl n GLY 69 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dkl h VAL 70 N 0.00 1.75 -3.44 1.61 2.07 -1.95 -3.47 116.25 112.81 2dkl h VAL 70 Ca 0.00 -2.27 -0.16 0.00 0.82 0.00 0.00 66.70 65.09 2dkl h VAL 70 Cb 0.00 3.29 -0.23 0.00 -1.52 0.00 0.00 31.29 32.83 2dkl h VAL 70 CO 0.00 0.59 -0.50 0.42 0.02 0.00 0.00 177.57 178.10 2dkl s THR 71 N -2.39 0.05 -0.26 2.57 -4.23 -1.26 -5.07 115.64 105.05 2dkl s THR 71 Ca -0.18 -0.41 -0.14 0.00 -1.18 0.00 0.00 61.69 59.78 2dkl s THR 71 Cb -0.02 -0.35 -0.14 0.00 1.34 0.00 0.00 72.50 73.33 2dkl s THR 71 CO 0.70 -0.22 -0.25 -0.67 -0.54 0.00 0.00 174.62 173.64 2dkl n ASP 72 N 2.08 1.95 -3.58 3.99 -0.08 -1.26 -4.97 116.55 114.69 2dkl n ASP 72 Ca -0.19 0.31 -0.12 0.00 -1.51 0.00 0.00 54.79 53.28 2dkl n ASP 72 Cb 0.57 -0.81 -0.11 0.00 2.34 0.00 0.00 41.12 43.11 2dkl n ASP 72 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2dkl s HIS 73 N -2.49 -0.57 -0.80 -0.67 2.46 -1.26 -5.10 115.29 106.86 2dkl s HIS 73 Ca -0.37 0.97 -0.17 0.00 0.47 0.00 0.00 55.06 55.96 2dkl s HIS 73 Cb 0.13 0.01 0.15 0.00 -0.13 0.00 0.00 32.58 32.74 2dkl s HIS 73 CO 0.52 -0.49 0.88 0.54 -2.47 0.00 0.00 174.74 173.72 2dkl s ASN 74 N 2.48 6.55 0.00 9.88 4.22 -1.26 -4.68 114.94 132.13 2dkl s ASN 74 Ca 0.04 -2.09 0.00 0.00 -2.14 0.00 0.00 52.86 48.66 2dkl s ASN 74 Cb -0.13 -2.31 0.00 0.00 1.28 0.00 0.00 41.25 40.09 2dkl s ASN 74 CO -0.11 -0.91 0.00 0.61 -2.04 0.00 0.00 177.10 174.64 2dkl n GLY 75 N 4.91 -1.80 3.02 0.45 0.00 -1.26 -5.12 105.19 105.38 2dkl n GLY 75 Ca 0.11 0.74 -0.32 0.00 0.00 0.00 0.00 46.02 46.56 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 1.62 -0.29 1.61 0.00 -1.26 -5.05 119.30 115.93 2dkl s MET 76 Ca 0.00 -1.99 -0.20 0.00 0.00 0.00 0.00 55.69 53.50 2dkl s MET 76 Cb 0.00 -3.27 0.16 0.00 0.00 0.00 0.00 34.83 31.72 2dkl s MET 76 CO 0.00 -0.98 1.14 0.00 0.00 0.00 0.00 175.02 175.17 2dkl s ALA 77 N 0.74 -2.25 0.12 4.11 0.00 -1.26 -5.18 121.76 118.03 2dkl s ALA 77 Ca 0.12 1.97 0.05 0.00 0.00 0.00 0.00 51.96 54.10 2dkl s ALA 77 Cb -0.20 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 2dkl s ALA 77 CO -0.06 -0.26 -0.13 0.00 0.00 0.00 0.00 175.76 175.30 2dkl s ALA 78 N 0.71 1.42 0.05 0.00 0.00 -1.26 -5.16 121.76 117.52 2dkl s ALA 78 Ca -0.02 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 50.56 2dkl s ALA 78 Cb -0.04 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2dkl s ALA 78 CO -0.12 0.08 0.26 0.21 0.00 0.00 0.00 175.76 176.19 2dkl s LYS 79 N -2.66 0.79 -0.30 0.00 2.47 -1.26 -5.16 119.74 113.63 2dkl s LYS 79 Ca 0.08 -0.62 -0.10 0.00 -1.56 0.00 0.00 55.97 53.77 2dkl s LYS 79 Cb -0.05 0.33 0.16 0.00 -1.46 0.00 0.00 37.83 36.81 2dkl s LYS 79 CO 0.02 -0.25 0.79 -1.12 0.16 0.00 0.00 175.35 174.95 2dkl s SER 80 N -2.22 -0.94 -0.27 1.43 0.01 -1.26 -5.17 113.70 105.28 2dkl s SER 80 Ca -0.03 1.09 -0.28 0.00 1.31 0.00 0.00 55.95 58.04 2dkl s SER 80 Cb 0.00 1.99 0.17 0.00 0.21 0.00 0.00 66.02 68.40 2dkl s SER 80 CO -0.05 -0.18 1.29 -0.83 0.41 0.00 0.00 173.24 173.88 2dkl s GLY 81 N 2.75 0.09 1.14 3.44 0.00 -1.26 -5.18 107.32 108.30 2dkl s GLY 81 Ca 0.00 2.88 -0.17 0.00 0.00 0.00 0.00 44.72 47.43 2dkl s GLY 81 CO -0.18 1.40 1.10 2.56 0.00 0.00 0.00 173.10 177.98 2dkl s PRO 82 N -0.63 -0.75 0.58 2.90 0.04 -1.26 -5.06 135.00 130.82 2dkl s PRO 82 Ca 0.06 0.10 -0.00 0.00 0.04 0.00 0.00 61.00 61.20 2dkl s PRO 82 Cb -0.02 -1.64 0.04 0.00 0.04 0.00 0.00 34.50 32.92 2dkl s PRO 82 CO -0.08 -3.43 0.83 -1.12 0.04 0.00 0.00 177.00 173.23 2dkl s SER 83 N -3.76 5.17 0.31 6.66 0.01 -1.26 -5.12 113.70 115.71 2dkl s SER 83 Ca 0.69 0.07 0.03 0.00 1.31 0.00 0.00 55.95 58.06 2dkl s SER 83 Cb -0.12 -0.90 -0.06 0.00 0.21 0.00 0.00 66.02 65.14 2dkl s SER 83 CO 0.57 -1.24 0.07 -0.44 0.41 0.00 0.00 173.24 172.60 2dkl s SER 84 N -4.45 2.08 0.00 2.44 0.01 -1.26 -5.35 113.70 107.17 2dkl s SER 84 Ca 0.58 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 56.45 2dkl s SER 84 Cb -0.10 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2dkl s SER 84 CO 0.40 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 174.01