#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 3.78 0.29 1.61 0.15 -1.26 -5.14 113.70 113.13 2dkl s SER 2 Ca 0.00 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.13 2dkl s SER 2 Cb 0.00 -0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 63.74 2dkl s SER 2 CO 0.00 0.20 0.12 -0.55 1.20 0.00 0.00 173.24 174.22 2dkl s SER 3 N -1.89 1.46 0.00 5.45 0.15 -1.26 -5.01 113.70 112.60 2dkl s SER 3 Ca 0.16 -1.47 0.00 0.00 0.70 0.00 0.00 55.95 55.34 2dkl s SER 3 Cb -0.10 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2dkl s SER 3 CO 0.08 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.33 2dkl n GLY 4 N -0.54 0.72 3.18 9.45 0.00 -1.26 -5.12 105.19 111.61 2dkl n GLY 4 Ca 0.00 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.18 3.32 -0.37 1.61 0.01 -1.26 -5.09 113.70 110.74 2dkl s SER 5 Ca 0.00 -0.58 -0.08 0.00 1.31 0.00 0.00 55.95 56.61 2dkl s SER 5 Cb 0.00 -1.50 0.05 0.00 0.21 0.00 0.00 66.02 64.78 2dkl s SER 5 CO 0.00 0.04 0.17 -0.94 0.41 0.00 0.00 173.24 172.92 2dkl s SER 6 N 1.04 5.46 0.27 2.44 1.04 -1.26 -5.09 113.70 117.60 2dkl s SER 6 Ca -0.01 -1.26 0.10 0.00 0.48 0.00 0.00 55.95 55.26 2dkl s SER 6 Cb -0.14 -1.92 -0.05 0.00 0.10 0.00 0.00 66.02 64.01 2dkl s SER 6 CO -0.06 -0.40 -0.07 -0.83 0.98 0.00 0.00 173.24 172.86 2dkl s GLY 7 N 1.64 1.73 0.00 7.32 0.00 -1.26 -5.13 107.32 111.62 2dkl s GLY 7 Ca 0.01 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.00 2dkl s GLY 7 CO 0.03 -1.80 0.00 0.61 0.00 0.00 0.00 173.10 171.94 2dkl n GLY 8 N -0.80 3.44 2.60 0.20 0.00 -1.26 -5.10 105.19 104.28 2dkl n GLY 8 Ca -0.06 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 2dkl n GLY 8 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2dkl n MET 9 N 0.00 1.93 -2.85 1.61 0.00 -1.26 -5.08 117.12 111.47 2dkl n MET 9 Ca 0.00 -4.38 -0.41 0.00 0.00 0.00 0.00 57.70 52.91 2dkl n MET 9 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 33.22 31.03 2dkl n MET 9 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2dkl s LYS 10 N -1.78 4.54 -0.34 3.17 3.01 -1.26 -5.03 119.74 122.05 2dkl s LYS 10 Ca 0.33 1.23 0.03 0.00 -1.01 0.00 0.00 55.97 56.54 2dkl s LYS 10 Cb 0.06 -3.42 0.10 0.00 -1.01 0.00 0.00 37.83 33.56 2dkl s LYS 10 CO -0.10 0.09 0.07 0.99 0.51 0.00 0.00 175.35 176.91 2dkl s THR 11 N 0.59 1.85 0.02 2.17 2.01 -1.26 -4.90 115.64 116.12 2dkl s THR 11 Ca 0.45 -2.10 0.03 0.00 0.31 0.00 0.00 61.69 60.38 2dkl s THR 11 Cb -0.20 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 2dkl s THR 11 CO 0.25 -0.64 -0.10 -0.94 -0.69 0.00 0.00 174.62 172.50 2dkl s SER 12 N 1.07 1.16 -0.14 3.53 1.04 -1.26 -5.04 113.70 114.07 2dkl s SER 12 Ca 0.11 -0.34 -0.01 0.00 0.48 0.00 0.00 55.95 56.19 2dkl s SER 12 Cb -0.19 -0.07 0.05 0.00 0.10 0.00 0.00 66.02 65.91 2dkl s SER 12 CO -0.13 0.01 2.23 0.61 0.98 0.00 0.00 173.24 176.94 2dkl n GLY 13 N 2.23 3.23 3.62 7.32 0.00 -1.26 -4.86 105.19 115.47 2dkl n GLY 13 Ca -0.17 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.64 1.98 -1.15 1.61 1.02 -1.26 -5.06 119.74 116.24 2dkl s LYS 14 Ca 0.22 -1.97 -0.19 0.00 0.02 0.00 0.00 55.97 54.05 2dkl s LYS 14 Cb 0.14 -1.75 0.09 0.00 -0.52 0.00 0.00 37.83 35.79 2dkl s LYS 14 CO -0.02 0.02 1.52 -0.65 -0.92 0.00 0.00 175.35 175.31 2dkl s GLN 15 N -3.71 3.84 0.46 1.68 1.11 -1.26 -4.96 119.66 116.82 2dkl s GLN 15 Ca 0.35 -1.82 0.07 0.00 0.01 0.00 0.00 55.36 53.97 2dkl s GLN 15 Cb 0.05 -5.32 -0.01 0.00 -1.01 0.00 0.00 33.01 26.73 2dkl s GLN 15 CO 0.18 -2.09 0.33 -0.51 0.01 0.00 0.00 175.29 173.22 2dkl s ASP 16 N 4.12 4.74 -0.15 5.90 1.01 -1.26 -5.06 116.67 125.97 2dkl s ASP 16 Ca 0.47 -1.01 0.00 0.00 0.71 0.00 0.00 52.55 52.72 2dkl s ASP 16 Cb 0.00 -0.21 -0.23 0.00 1.01 0.00 0.00 42.92 43.49 2dkl s ASP 16 CO -0.01 -0.78 0.25 1.21 0.21 0.00 0.00 175.17 176.05 2dkl n GLU 17 N -1.54 0.71 -0.23 8.23 2.13 -1.26 -4.12 120.64 124.56 2dkl n GLU 17 Ca 0.01 0.22 0.01 0.00 0.66 0.00 0.00 57.16 58.06 2dkl n GLU 17 Cb 0.63 -1.66 0.09 0.00 0.27 0.00 0.00 31.44 30.77 2dkl n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dkl h ALA 18 N 0.27 0.53 -0.41 4.31 0.00 -1.99 0.36 119.26 122.33 2dkl h ALA 18 Ca -0.45 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2dkl h ALA 18 Cb 2.02 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 20.25 2dkl h ALA 18 CO 0.04 -0.42 0.17 0.11 0.00 0.00 0.00 179.25 179.15 2dkl h TRP 19 N 0.03 0.58 -0.30 0.00 5.08 -1.91 -2.70 115.95 116.73 2dkl h TRP 19 Ca 0.34 -0.02 -0.03 0.00 1.08 0.00 0.00 58.89 60.26 2dkl h TRP 19 Cb 0.54 -0.18 -0.01 0.00 -3.00 0.00 0.00 29.16 26.51 2dkl h TRP 19 CO -0.49 0.46 0.08 0.82 -1.28 0.00 0.00 178.44 178.02 2dkl h ILE 20 N 0.58 1.22 -0.84 0.12 2.04 -0.50 -3.04 117.51 117.10 2dkl h ILE 20 Ca 0.14 -0.71 0.25 0.00 1.00 0.00 0.00 64.86 65.54 2dkl h ILE 20 Cb 0.12 1.11 -0.15 0.00 -0.74 0.00 0.00 36.82 37.15 2dkl h ILE 20 CO -0.01 0.24 0.10 0.80 0.00 0.00 0.00 178.15 179.27 2dkl n MET 21 N -4.67 -0.06 -0.10 2.37 1.56 -0.39 0.14 117.12 115.96 2dkl n MET 21 Ca -0.02 1.23 -0.06 0.00 -0.27 0.00 0.00 57.70 58.58 2dkl n MET 21 Cb 0.18 -2.00 0.01 0.00 2.15 0.00 0.00 33.22 33.56 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 -0.13 -0.88 6.12 0.87 -1.64 -2.49 113.55 115.39 2dkl h SER 22 Ca 0.54 0.08 0.13 0.00 -1.23 0.00 0.00 61.79 61.32 2dkl h SER 22 Cb 1.20 0.14 -0.14 0.00 -0.44 0.00 0.00 62.40 63.15 2dkl h SER 22 CO -0.76 -0.03 -0.35 0.54 -0.53 0.00 0.00 176.83 175.70 2dkl n ARG 23 N -5.17 -0.21 -0.04 2.24 1.74 0.36 0.18 116.66 115.75 2dkl n ARG 23 Ca 0.01 1.36 -0.02 0.00 -0.77 0.00 0.00 57.85 58.43 2dkl n ARG 23 Cb 0.17 -2.01 0.25 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 0.59 -1.03 0.55 3.38 -1.49 -2.55 115.31 114.77 2dkl h LEU 24 Ca 0.30 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2dkl h LEU 24 Cb 0.52 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2dkl h LEU 24 CO -0.87 0.66 -0.05 0.40 0.09 0.00 0.00 178.44 178.66 2dkl h ILE 25 N 0.60 1.23 -0.53 1.22 1.08 0.23 -2.93 117.51 118.41 2dkl h ILE 25 Ca 0.13 -0.98 0.07 0.00 -0.39 0.00 0.00 64.86 63.68 2dkl h ILE 25 Cb 0.36 1.00 -0.06 0.00 -3.07 0.00 0.00 36.82 35.05 2dkl h ILE 25 CO 0.01 0.33 0.20 0.50 -0.69 0.00 0.00 178.15 178.51 2dkl h LYS 26 N 0.59 0.38 -0.60 2.37 3.64 -0.01 0.24 116.57 123.18 2dkl h LYS 26 Ca 0.12 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.54 2dkl h LYS 26 Cb 0.46 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.13 2dkl h LYS 26 CO 0.02 0.25 0.29 1.96 -2.27 0.00 0.00 179.45 179.70 2dkl h GLN 27 N 0.39 0.51 0.43 1.90 1.08 -1.54 -1.09 115.11 116.80 2dkl h GLN 27 Ca 0.25 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.40 2dkl h GLN 27 Cb 0.27 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2dkl h GLN 27 CO -0.25 0.34 -0.21 -0.07 -0.95 0.00 0.00 178.83 177.69 2dkl h LEU 28 N 0.53 -0.49 -1.49 1.46 4.07 -1.36 -3.03 115.31 115.00 2dkl h LEU 28 Ca 0.28 -0.07 0.09 0.00 0.08 0.00 0.00 57.88 58.25 2dkl h LEU 28 Cb 0.25 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 2dkl h LEU 28 CO -0.22 -0.07 0.63 0.71 -1.08 0.00 0.00 178.44 178.41 2dkl h THR 29 N -1.06 0.11 0.04 0.22 1.35 -0.46 0.94 112.91 114.06 2dkl h THR 29 Ca -0.06 0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 65.57 2dkl h THR 29 Cb 0.54 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 2dkl h THR 29 CO 0.10 0.00 -1.04 0.44 -0.25 0.00 0.00 175.52 174.77 2dkl h ASP 30 N 0.00 0.22 0.00 5.36 3.32 -1.08 -3.39 116.42 120.85 2dkl h ASP 30 Ca 0.14 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2dkl h ASP 30 Cb 1.40 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.88 2dkl h ASP 30 CO -0.00 1.12 0.00 0.23 -1.72 0.00 0.00 179.24 178.87 2dkl n MET 31 N -3.51 0.00 0.00 3.56 2.81 0.32 -4.95 117.12 115.35 2dkl n MET 31 Ca -0.04 0.36 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 2dkl n MET 31 Cb 0.92 -1.08 0.00 0.00 -0.71 0.00 0.00 33.22 32.35 2dkl n MET 31 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dkl n GLY 32 N 0.83 0.00 2.93 3.03 0.00 -1.09 -5.13 105.19 105.75 2dkl n GLY 32 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.20 0.96 1.61 0.08 -1.24 -5.06 117.98 114.53 2dkl s PHE 33 Ca 0.00 -0.20 -0.12 0.00 0.12 0.00 0.00 56.93 56.73 2dkl s PHE 33 Cb 0.00 -0.13 0.16 0.00 -0.57 0.00 0.00 43.02 42.48 2dkl s PHE 33 CO 0.00 -0.06 1.09 -1.25 -0.10 0.00 0.00 175.22 174.90 2dkl s PRO 34 N -0.56 0.77 0.18 0.24 0.04 -1.26 -3.57 135.00 130.85 2dkl s PRO 34 Ca -0.05 0.64 0.09 0.00 0.04 0.00 0.00 61.00 61.72 2dkl s PRO 34 Cb -0.04 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 2dkl s PRO 34 CO -0.00 -2.53 1.39 0.07 0.04 0.00 0.00 177.00 175.97 2dkl h ARG 35 N -1.75 0.00 -0.32 4.56 0.11 -1.97 -3.13 114.38 111.88 2dkl h ARG 35 Ca -0.52 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.59 2dkl h ARG 35 Cb 1.31 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.34 2dkl h ARG 35 CO 0.56 0.84 -0.26 0.93 0.10 0.00 0.00 179.97 182.15 2dkl h GLU 36 N 0.00 -0.08 0.05 0.08 3.07 -2.00 0.38 114.58 116.08 2dkl h GLU 36 Ca -0.01 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2dkl h GLU 36 Cb 1.54 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.46 2dkl h GLU 36 CO 0.11 -0.05 -0.02 -1.00 -1.40 0.00 0.00 179.01 176.64 2dkl h PRO 37 N -0.08 -0.06 -1.48 2.33 0.13 -1.98 -2.78 132.00 128.07 2dkl h PRO 37 Ca 0.05 0.00 0.43 0.00 -0.87 0.00 0.00 66.00 65.62 2dkl h PRO 37 Cb 0.22 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.30 2dkl h PRO 37 CO -0.35 0.40 1.11 0.00 -0.23 0.00 0.00 178.00 178.94 2dkl h ALA 38 N 0.36 3.40 0.00 -0.56 0.00 -1.45 0.22 119.26 121.22 2dkl h ALA 38 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2dkl h ALA 38 Cb 0.49 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2dkl h ALA 38 CO 0.01 -1.87 -0.18 1.49 0.00 0.00 0.00 179.25 178.70 2dkl h GLU 39 N 0.00 0.00 -0.99 0.00 4.57 -0.85 -2.87 114.58 114.44 2dkl h GLU 39 Ca 0.70 0.00 0.21 0.00 -1.18 0.00 0.00 59.36 59.09 2dkl h GLU 39 Cb 2.91 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 31.39 2dkl h GLU 39 CO -0.01 0.12 0.59 1.05 -1.18 0.00 0.00 179.01 179.57 2dkl h GLU 40 N -1.00 0.66 0.03 1.92 4.11 -0.89 -1.80 114.58 117.61 2dkl h GLU 40 Ca -0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 2dkl h GLU 40 Cb 0.26 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2dkl h GLU 40 CO -0.01 0.44 -0.01 0.00 0.07 0.00 0.00 179.01 179.49 2dkl h ALA 41 N 1.67 -0.58 -0.74 1.06 0.00 -0.79 -3.14 119.26 116.74 2dkl h ALA 41 Ca 0.59 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.69 2dkl h ALA 41 Cb 1.00 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.67 2dkl h ALA 41 CO -0.42 -0.58 -0.02 1.28 0.00 0.00 0.00 179.25 179.50 2dkl n LEU 42 N -2.17 -0.12 -0.21 0.00 4.77 -1.08 0.21 117.00 118.40 2dkl n LEU 42 Ca -0.00 1.26 0.01 0.00 -0.03 0.00 0.00 56.01 57.25 2dkl n LEU 42 Cb 0.02 -0.44 0.13 0.00 -2.33 0.00 0.00 43.42 40.79 2dkl n LEU 42 CO 0.01 -1.26 0.96 0.11 -1.33 0.00 0.00 177.39 175.88 2dkl h LYS 43 N 0.00 0.34 0.00 3.23 1.79 -1.39 0.15 116.57 120.69 2dkl h LYS 43 Ca 0.43 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 2dkl h LYS 43 Cb 0.85 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2dkl h LYS 43 CO -0.71 0.22 -0.40 0.43 -1.08 0.00 0.00 179.45 177.92 2dkl n SER 44 N -5.06 0.65 -2.06 0.86 7.64 0.58 -3.77 113.62 112.46 2dkl n SER 44 Ca 0.10 0.23 -0.23 0.00 1.01 0.00 0.00 58.87 59.98 2dkl n SER 44 Cb 0.33 -0.13 0.10 0.00 -1.01 0.00 0.00 64.21 63.50 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 -2.03 5.32 -3.60 6.43 3.02 0.20 -4.86 115.26 119.74 2dkl n ASN 45 Ca 0.04 -3.38 -0.23 0.00 -0.03 0.00 0.00 54.58 50.98 2dkl n ASN 45 Cb 0.42 -0.88 -0.04 0.00 -0.61 0.00 0.00 39.78 38.66 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 -0.61 -1.44 -3.33 6.41 3.02 -1.09 0.12 115.26 118.34 2dkl n ASN 46 Ca 0.48 -0.45 -0.18 0.00 -0.03 0.00 0.00 54.58 54.41 2dkl n ASN 46 Cb 1.05 -1.32 0.08 0.00 -0.61 0.00 0.00 39.78 38.98 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 -3.33 -6.59 -4.23 3.52 2.81 0.31 -5.01 117.12 104.60 2dkl n MET 47 Ca 0.06 0.80 -0.28 0.00 -1.81 0.00 0.00 57.70 56.47 2dkl n MET 47 Cb 0.47 -5.68 -0.09 0.00 -0.71 0.00 0.00 33.22 27.21 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 -4.03 4.52 -0.20 7.83 3.84 0.33 -5.05 114.94 122.18 2dkl s ASN 48 Ca 0.14 -0.41 -0.16 0.00 0.21 0.00 0.00 52.86 52.64 2dkl s ASN 48 Cb -0.06 -0.89 -0.20 0.00 -0.55 0.00 0.00 41.25 39.55 2dkl s ASN 48 CO 0.69 0.14 0.16 -0.11 -2.79 0.00 0.00 177.10 175.18 2dkl n LEU 49 N 0.32 2.13 -0.14 3.21 7.94 -1.26 -2.65 117.00 126.55 2dkl n LEU 49 Ca -0.12 0.33 -0.03 0.00 -1.11 0.00 0.00 56.01 55.08 2dkl n LEU 49 Cb 0.54 -0.99 0.18 0.00 0.53 0.00 0.00 43.42 43.68 2dkl n LEU 49 CO 0.36 0.50 0.98 -0.78 -1.11 0.00 0.00 177.39 177.33 2dkl h ASP 50 N -0.68 0.79 0.24 1.96 3.58 -1.97 0.24 116.42 120.60 2dkl h ASP 50 Ca -0.43 -0.14 -0.31 0.00 0.42 0.00 0.00 57.03 56.57 2dkl h ASP 50 Cb 1.56 -0.21 0.03 0.00 1.72 0.00 0.00 39.33 42.44 2dkl h ASP 50 CO -0.16 0.78 -1.33 1.56 -2.88 0.00 0.00 179.24 177.21 2dkl h GLN 51 N 0.82 0.55 0.20 0.28 4.20 -1.91 -3.17 115.11 116.08 2dkl h GLN 51 Ca 0.18 -0.82 -0.01 0.00 0.06 0.00 0.00 58.65 58.06 2dkl h GLN 51 Cb 0.30 0.29 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2dkl h GLN 51 CO -0.00 1.38 -0.10 0.00 -0.67 0.00 0.00 178.83 179.44 2dkl h ALA 52 N 0.28 -0.27 -0.23 3.87 0.00 -1.34 -3.00 119.26 118.58 2dkl h ALA 52 Ca -0.21 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.54 2dkl h ALA 52 Cb 2.02 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.84 2dkl h ALA 52 CO 0.25 -0.44 -0.52 0.52 0.00 0.00 0.00 179.25 179.06 2dkl h MET 53 N -0.69 -0.49 -0.81 0.00 2.86 -0.66 -0.92 114.93 114.22 2dkl h MET 53 Ca -0.03 0.03 0.20 0.00 -2.06 0.00 0.00 59.70 57.84 2dkl h MET 53 Cb 0.48 0.11 -0.14 0.00 0.06 0.00 0.00 31.60 32.12 2dkl h MET 53 CO 0.04 -0.33 0.09 1.03 1.06 0.00 0.00 176.91 178.81 2dkl h SER 54 N -0.51 -0.23 -0.91 1.22 0.87 -1.63 0.75 113.55 113.12 2dkl h SER 54 Ca 0.06 0.20 0.24 0.00 -1.23 0.00 0.00 61.79 61.06 2dkl h SER 54 Cb 0.65 0.32 -0.05 0.00 -0.44 0.00 0.00 62.40 62.88 2dkl h SER 54 CO -0.49 -0.17 0.63 0.00 -0.53 0.00 0.00 176.83 176.27 2dkl h ALA 55 N 1.74 2.59 0.00 6.23 0.00 -1.02 0.28 119.26 129.09 2dkl h ALA 55 Ca 0.47 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.21 2dkl h ALA 55 Cb 0.87 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2dkl h ALA 55 CO -0.67 -0.87 -0.93 -0.07 0.00 0.00 0.00 179.25 176.71 2dkl h LEU 56 N 0.16 0.00 0.26 0.00 3.38 0.63 -3.36 115.31 116.39 2dkl h LEU 56 Ca 0.45 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2dkl h LEU 56 Cb 1.52 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.24 2dkl h LEU 56 CO -0.08 1.30 -0.40 -0.07 0.09 0.00 0.00 178.44 179.27 2dkl h LEU 57 N -1.00 -1.14 -0.89 1.67 3.38 -0.33 -1.86 115.31 115.15 2dkl h LEU 57 Ca -0.24 0.11 0.14 0.00 0.09 0.00 0.00 57.88 57.98 2dkl h LEU 57 Cb 1.13 0.40 -0.15 0.00 0.09 0.00 0.00 40.66 42.14 2dkl h LEU 57 CO -0.15 -0.51 -0.33 -0.62 0.09 0.00 0.00 178.44 176.91 2dkl n GLU 58 N -5.48 -0.20 0.41 1.13 -0.58 0.93 -0.60 120.64 116.26 2dkl n GLU 58 Ca -0.09 1.37 -0.19 0.00 -0.42 0.00 0.00 57.16 57.83 2dkl n GLU 58 Cb 0.38 -2.03 -0.09 0.00 -0.57 0.00 0.00 31.44 29.13 2dkl n GLU 58 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2dkl h LYS 59 N 0.00 -1.00 -6.05 3.49 1.79 -1.62 -3.38 116.57 109.80 2dkl h LYS 59 Ca 0.32 0.07 -0.59 0.00 -2.18 0.00 0.00 60.65 58.26 2dkl h LYS 59 Cb 0.54 0.23 -0.11 0.00 -1.58 0.00 0.00 32.23 31.31 2dkl h LYS 59 CO -0.88 -0.67 0.67 0.21 -1.08 0.00 0.00 179.45 177.70 2dkl s LYS 60 N -6.03 3.38 -0.58 3.15 2.47 0.23 -4.99 119.74 117.38 2dkl s LYS 60 Ca -0.18 -0.13 -0.28 0.00 -1.56 0.00 0.00 55.97 53.82 2dkl s LYS 60 Cb 0.03 -4.04 0.02 0.00 -1.46 0.00 0.00 37.83 32.38 2dkl s LYS 60 CO 0.61 -1.54 1.30 0.08 0.16 0.00 0.00 175.35 175.97 2dkl s VAL 61 N 4.21 3.89 0.25 4.02 1.01 -1.25 -4.64 120.40 127.90 2dkl s VAL 61 Ca 0.34 0.77 0.02 0.00 0.00 0.00 0.00 61.98 63.11 2dkl s VAL 61 Cb -0.11 -4.61 -0.04 0.00 0.00 0.00 0.00 36.38 31.62 2dkl s VAL 61 CO 0.21 -1.29 0.18 -0.62 0.00 0.00 0.00 175.10 173.58 2dkl s ASP 62 N 3.67 0.81 -0.64 3.32 2.15 -1.26 -5.12 116.67 119.60 2dkl s ASP 62 Ca 0.47 -1.53 0.02 0.00 0.43 0.00 0.00 52.55 51.94 2dkl s ASP 62 Cb -0.09 0.44 0.16 0.00 -0.30 0.00 0.00 42.92 43.13 2dkl s ASP 62 CO 0.25 -0.92 0.43 -0.69 -0.17 0.00 0.00 175.17 174.07 2dkl s VAL 63 N -3.86 3.12 0.32 1.11 1.01 -1.26 -5.08 120.40 115.76 2dkl s VAL 63 Ca 0.39 -3.63 0.08 0.00 0.00 0.00 0.00 61.98 58.82 2dkl s VAL 63 Cb 0.05 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 2dkl s VAL 63 CO 0.18 -0.91 0.22 -1.81 0.00 0.00 0.00 175.10 172.78 2dkl s ASP 64 N -0.46 5.11 1.14 3.32 1.01 -1.26 -5.11 116.67 120.42 2dkl s ASP 64 Ca 0.21 -0.55 -0.18 0.00 0.71 0.00 0.00 52.55 52.74 2dkl s ASP 64 Cb -0.16 -0.95 0.15 0.00 1.01 0.00 0.00 42.92 42.97 2dkl s ASP 64 CO -0.07 -0.28 0.17 0.29 0.21 0.00 0.00 175.17 175.49 2dkl n LYS 65 N -1.26 -1.98 -1.63 8.23 4.76 -1.26 -4.70 118.16 120.31 2dkl n LYS 65 Ca -0.03 -0.57 -0.27 0.00 -2.87 0.00 0.00 58.31 54.57 2dkl n LYS 65 Cb 0.60 -1.73 -0.05 0.00 -1.84 0.00 0.00 35.03 32.02 2dkl n LYS 65 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2dkl s ARG 66 N -3.61 1.97 5.89 1.97 3.52 -1.26 -4.72 118.95 122.70 2dkl s ARG 66 Ca 0.56 0.89 0.00 0.00 -0.13 0.00 0.00 55.73 57.04 2dkl s ARG 66 Cb -0.12 -4.68 0.00 0.00 -1.56 0.00 0.00 34.95 28.59 2dkl s ARG 66 CO 0.62 -3.70 0.00 0.41 -0.81 0.00 0.00 175.30 171.82 2dkl n GLY 67 N 6.34 3.66 1.33 8.12 0.00 -1.26 -4.25 105.19 119.13 2dkl n GLY 67 Ca 0.39 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.64 2dkl n GLY 67 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dkl n LEU 68 N 0.00 0.68 0.00 0.99 7.94 -1.26 -5.09 117.00 120.26 2dkl n LEU 68 Ca 0.00 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 2dkl n LEU 68 Cb 0.00 -0.10 0.00 0.00 0.53 0.00 0.00 43.42 43.85 2dkl n LEU 68 CO 0.00 -0.73 0.00 0.61 -1.11 0.00 0.00 177.39 176.16 2dkl n GLY 69 N 2.88 0.01 1.82 -3.96 0.00 -1.26 -5.03 105.19 99.64 2dkl n GLY 69 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 2dkl n GLY 69 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dkl n VAL 70 N 0.00 2.61 -3.98 1.61 0.24 -1.26 -4.84 118.33 112.70 2dkl n VAL 70 Ca 0.00 -1.41 -0.10 0.00 -2.04 0.00 0.00 64.34 60.78 2dkl n VAL 70 Cb 0.00 -1.39 -0.12 0.00 -1.47 0.00 0.00 33.84 30.86 2dkl n VAL 70 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2dkl s THR 71 N -1.72 0.17 -0.37 3.34 -4.23 -1.26 -5.12 115.64 106.45 2dkl s THR 71 Ca 0.25 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.98 2dkl s THR 71 Cb 0.19 -0.28 0.12 0.00 1.34 0.00 0.00 72.50 73.87 2dkl s THR 71 CO -0.01 -0.39 0.17 1.51 -0.54 0.00 0.00 174.62 175.36 2dkl s ASP 72 N -1.22 3.77 -0.23 3.99 1.47 -1.26 -5.09 116.67 118.10 2dkl s ASP 72 Ca -0.12 -2.13 -0.17 0.00 1.18 0.00 0.00 52.55 51.31 2dkl s ASP 72 Cb -0.08 -0.90 0.07 0.00 -0.34 0.00 0.00 42.92 41.66 2dkl s ASP 72 CO -0.01 -0.34 0.59 -1.00 0.68 0.00 0.00 175.17 175.09 2dkl s HIS 73 N 1.01 -0.77 0.31 2.11 3.76 -1.26 -5.17 115.29 115.28 2dkl s HIS 73 Ca 0.14 1.70 0.09 0.00 -0.15 0.00 0.00 55.06 56.84 2dkl s HIS 73 Cb -0.21 0.36 -0.04 0.00 1.11 0.00 0.00 32.58 33.80 2dkl s HIS 73 CO -0.11 -0.39 0.10 -0.80 -0.85 0.00 0.00 174.74 172.69 2dkl s ASN 74 N 0.96 4.68 -0.13 1.40 0.01 -1.26 -5.13 114.94 115.48 2dkl s ASN 74 Ca -0.05 -0.71 0.02 0.00 -0.71 0.00 0.00 52.86 51.41 2dkl s ASN 74 Cb -0.05 -0.80 0.01 0.00 0.41 0.00 0.00 41.25 40.82 2dkl s ASN 74 CO -0.09 -0.20 -0.20 -0.83 -1.51 0.00 0.00 177.10 174.27 2dkl s GLY 75 N -3.80 1.26 -0.15 0.66 0.00 -1.26 -5.11 107.32 98.92 2dkl s GLY 75 Ca 0.36 -0.97 -0.17 0.00 0.00 0.00 0.00 44.72 43.94 2dkl s GLY 75 CO 0.22 0.01 0.46 -0.29 0.00 0.00 0.00 173.10 173.50 2dkl s MET 76 N 0.80 0.58 -0.07 2.90 1.75 -1.26 -5.17 119.30 118.83 2dkl s MET 76 Ca -0.09 0.55 -0.12 0.00 -1.25 0.00 0.00 55.69 54.79 2dkl s MET 76 Cb -0.16 0.28 0.03 0.00 2.84 0.00 0.00 34.83 37.82 2dkl s MET 76 CO -0.00 -0.09 0.30 0.00 -0.65 0.00 0.00 175.02 174.58 2dkl s ALA 77 N 0.04 -0.75 -0.23 4.11 0.00 -1.26 -5.17 121.76 118.50 2dkl s ALA 77 Ca -0.02 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 2dkl s ALA 77 Cb -0.03 -0.23 0.16 0.00 0.00 0.00 0.00 23.12 23.02 2dkl s ALA 77 CO 0.01 -0.20 1.20 0.00 0.00 0.00 0.00 175.76 176.78 2dkl s ALA 78 N -0.56 -2.04 0.42 0.00 0.00 -1.26 -5.19 121.76 113.14 2dkl s ALA 78 Ca -0.07 1.75 0.03 0.00 0.00 0.00 0.00 51.96 53.67 2dkl s ALA 78 Cb -0.04 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 2dkl s ALA 78 CO 0.02 -0.29 0.08 -1.59 0.00 0.00 0.00 175.76 173.98 2dkl s LYS 79 N -1.16 1.96 -0.14 0.00 -2.85 -1.26 -5.10 119.74 111.20 2dkl s LYS 79 Ca 0.05 -2.20 -0.10 0.00 -1.00 0.00 0.00 55.97 52.72 2dkl s LYS 79 Cb -0.01 -0.95 -0.03 0.00 -2.06 0.00 0.00 37.83 34.78 2dkl s LYS 79 CO -0.04 -0.38 -0.19 -1.13 0.10 0.00 0.00 175.35 173.71 2dkl n SER 80 N -1.19 1.73 0.00 0.03 3.41 -1.26 -5.12 113.62 111.22 2dkl n SER 80 Ca -0.09 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 2dkl n SER 80 Cb 0.66 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2dkl n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkl n GLY 81 N 1.60 2.23 1.42 5.00 0.00 -1.26 -5.07 105.19 109.11 2dkl n GLY 81 Ca -0.08 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 2dkl n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dkl n PRO 82 N 1.91 -1.90 -4.52 1.61 -0.04 -1.26 -5.10 135.00 125.70 2dkl n PRO 82 Ca 0.00 -0.71 -0.26 0.00 -0.04 0.00 0.00 63.50 62.49 2dkl n PRO 82 Cb 0.00 -0.67 -0.08 0.00 -0.04 0.00 0.00 33.50 32.71 2dkl n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dkl s SER 83 N -2.70 2.83 0.34 3.54 0.15 -1.26 -5.18 113.70 111.42 2dkl s SER 83 Ca 0.29 -1.65 0.05 0.00 0.70 0.00 0.00 55.95 55.35 2dkl s SER 83 Cb -0.03 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.71 2dkl s SER 83 CO 0.22 -0.90 0.21 -0.94 1.20 0.00 0.00 173.24 173.04 2dkl s SER 84 N -3.61 1.87 0.00 5.45 1.04 -1.26 -5.36 113.70 111.82 2dkl s SER 84 Ca 0.24 -1.69 0.00 0.00 0.48 0.00 0.00 55.95 54.98 2dkl s SER 84 Cb 0.03 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2dkl s SER 84 CO 0.14 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.97