#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 -0.16 -0.02 1.61 1.04 -1.26 -5.13 113.70 109.78 2dkl s SER 2 Ca 0.00 -0.27 -0.30 0.00 0.48 0.00 0.00 55.95 55.86 2dkl s SER 2 Cb 0.00 0.37 -0.06 0.00 0.10 0.00 0.00 66.02 66.44 2dkl s SER 2 CO 0.00 -0.68 1.52 -0.94 0.98 0.00 0.00 173.24 174.12 2dkl s SER 3 N -2.88 6.75 0.61 7.02 1.04 -1.26 -5.00 113.70 119.99 2dkl s SER 3 Ca 0.12 2.18 -0.13 0.00 0.48 0.00 0.00 55.95 58.61 2dkl s SER 3 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 2dkl s SER 3 CO -0.01 -0.83 1.03 -0.83 0.98 0.00 0.00 173.24 173.58 2dkl s GLY 4 N 2.52 1.79 -0.70 7.32 0.00 -1.26 -5.00 107.32 111.98 2dkl s GLY 4 Ca 0.68 0.04 -0.18 0.00 0.00 0.00 0.00 44.72 45.26 2dkl s GLY 4 CO 0.27 0.33 0.81 -0.45 0.00 0.00 0.00 173.10 174.06 2dkl s SER 5 N -3.75 6.35 1.13 1.64 0.15 -1.26 -5.04 113.70 112.92 2dkl s SER 5 Ca 0.57 -1.72 -0.15 0.00 0.70 0.00 0.00 55.95 55.36 2dkl s SER 5 Cb -0.12 -2.31 0.26 0.00 -1.71 0.00 0.00 66.02 62.14 2dkl s SER 5 CO 0.48 -1.04 1.06 -0.94 1.20 0.00 0.00 173.24 174.00 2dkl s SER 6 N 3.42 1.41 0.00 5.45 1.04 -1.26 -4.97 113.70 118.79 2dkl s SER 6 Ca 0.17 1.14 0.00 0.00 0.48 0.00 0.00 55.95 57.74 2dkl s SER 6 Cb -0.18 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.19 2dkl s SER 6 CO 0.01 -3.88 0.00 0.61 0.98 0.00 0.00 173.24 170.96 2dkl n GLY 7 N -0.26 -2.03 4.40 7.32 0.00 -1.26 -5.07 105.19 108.29 2dkl n GLY 7 Ca 0.06 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 0.00 2.21 3.11 -0.02 0.00 -1.26 -4.78 105.19 104.45 2dkl n GLY 8 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 2.84 -0.08 1.61 1.00 -1.26 -5.02 119.30 118.38 2dkl s MET 9 Ca 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 55.69 54.73 2dkl s MET 9 Cb 0.00 -2.64 -0.02 0.00 0.00 0.00 0.00 34.83 32.18 2dkl s MET 9 CO 0.00 -0.29 0.12 0.87 0.00 0.00 0.00 175.02 175.72 2dkl h LYS 10 N 7.91 -0.10 -2.20 2.03 1.57 -2.02 -3.47 116.57 120.28 2dkl h LYS 10 Ca -0.40 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2dkl h LYS 10 Cb 1.12 0.02 -0.23 0.00 0.08 0.00 0.00 32.23 33.22 2dkl h LYS 10 CO 0.60 -0.06 -0.19 -0.08 -0.57 0.00 0.00 179.45 179.15 2dkl s THR 11 N -1.84 -0.68 0.03 -0.16 -1.32 -1.26 -5.07 115.64 105.33 2dkl s THR 11 Ca -0.01 0.06 -0.28 0.00 -1.21 0.00 0.00 61.69 60.24 2dkl s THR 11 Cb 0.00 -0.87 -0.16 0.00 -1.51 0.00 0.00 72.50 69.96 2dkl s THR 11 CO 0.04 0.02 1.27 0.77 -2.21 0.00 0.00 174.62 174.52 2dkl h SER 12 N 7.84 -0.86 -1.31 8.08 4.64 -2.03 -3.43 113.55 126.48 2dkl h SER 12 Ca -0.20 0.03 -0.23 0.00 -0.47 0.00 0.00 61.79 60.92 2dkl h SER 12 Cb 1.13 0.22 -0.22 0.00 -0.31 0.00 0.00 62.40 63.22 2dkl h SER 12 CO 0.13 -0.55 -0.58 -0.83 -0.87 0.00 0.00 176.83 174.13 2dkl s GLY 13 N -2.09 -0.75 -0.20 -0.77 0.00 -1.26 -5.11 107.32 97.14 2dkl s GLY 13 Ca -0.15 -0.68 -0.06 0.00 0.00 0.00 0.00 44.72 43.83 2dkl s GLY 13 CO 0.44 3.33 0.39 0.54 0.00 0.00 0.00 173.10 177.80 2dkl s LYS 14 N 0.98 0.30 -0.34 2.90 -0.14 -1.26 -5.11 119.74 117.07 2dkl s LYS 14 Ca 0.27 0.91 -0.28 0.00 -1.36 0.00 0.00 55.97 55.50 2dkl s LYS 14 Cb -0.02 0.14 -0.02 0.00 -1.68 0.00 0.00 37.83 36.25 2dkl s LYS 14 CO -0.07 -0.33 1.77 1.14 -0.76 0.00 0.00 175.35 177.10 2dkl s GLN 15 N 2.58 3.34 0.30 1.68 -2.07 -1.26 -4.96 119.66 119.28 2dkl s GLN 15 Ca 0.01 1.39 0.03 0.00 -1.82 0.00 0.00 55.36 54.97 2dkl s GLN 15 Cb -0.13 -4.19 -0.04 0.00 -1.09 0.00 0.00 33.01 27.57 2dkl s GLN 15 CO -0.13 -1.85 0.14 -0.51 -1.32 0.00 0.00 175.29 171.63 2dkl s ASP 16 N 5.97 1.60 -0.15 12.60 1.01 -1.26 -5.07 116.67 131.36 2dkl s ASP 16 Ca 0.78 -1.53 0.01 0.00 0.71 0.00 0.00 52.55 52.53 2dkl s ASP 16 Cb -0.22 0.34 -0.23 0.00 1.01 0.00 0.00 42.92 43.82 2dkl s ASP 16 CO 0.33 -0.85 0.24 -1.84 0.21 0.00 0.00 175.17 173.26 2dkl n GLU 17 N -0.59 0.70 -0.20 8.23 0.28 -1.26 -4.09 120.64 123.71 2dkl n GLU 17 Ca 0.00 0.21 -0.01 0.00 -0.16 0.00 0.00 57.16 57.21 2dkl n GLU 17 Cb 0.65 -1.66 0.07 0.00 1.43 0.00 0.00 31.44 31.93 2dkl n GLU 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dkl h ALA 18 N 0.31 0.45 -0.39 -1.84 0.00 -1.99 0.24 119.26 116.04 2dkl h ALA 18 Ca -0.45 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2dkl h ALA 18 Cb 2.02 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 20.22 2dkl h ALA 18 CO 0.04 -0.42 0.12 0.11 0.00 0.00 0.00 179.25 179.10 2dkl h TRP 19 N 0.02 0.55 -0.28 0.00 5.08 -1.97 -2.75 115.95 116.61 2dkl h TRP 19 Ca 0.30 -0.03 -0.03 0.00 1.08 0.00 0.00 58.89 60.22 2dkl h TRP 19 Cb 0.47 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 26.44 2dkl h TRP 19 CO -0.47 0.46 0.07 0.82 -1.28 0.00 0.00 178.44 178.05 2dkl h ILE 20 N 0.55 1.21 -0.90 0.12 2.04 -0.74 -2.94 117.51 116.85 2dkl h ILE 20 Ca 0.13 -0.70 0.36 0.00 1.00 0.00 0.00 64.86 65.66 2dkl h ILE 20 Cb 0.16 1.14 -0.16 0.00 -0.74 0.00 0.00 36.82 37.22 2dkl h ILE 20 CO -0.01 0.23 0.43 0.80 0.00 0.00 0.00 178.15 179.60 2dkl n MET 21 N -4.69 -0.06 -0.15 2.37 1.56 -0.35 0.16 117.12 115.97 2dkl n MET 21 Ca -0.03 1.25 -0.06 0.00 -0.27 0.00 0.00 57.70 58.59 2dkl n MET 21 Cb 0.18 -2.22 0.02 0.00 2.15 0.00 0.00 33.22 33.35 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 0.43 -0.87 6.12 0.87 -1.62 -2.66 113.55 115.81 2dkl h SER 22 Ca 0.74 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 61.49 2dkl h SER 22 Cb 1.92 -0.09 -0.16 0.00 -0.44 0.00 0.00 62.40 63.63 2dkl h SER 22 CO -0.71 0.31 -0.18 0.03 -0.53 0.00 0.00 176.83 175.75 2dkl h ARG 23 N 0.53 0.01 -0.02 2.24 3.08 0.15 1.30 114.38 121.67 2dkl h ARG 23 Ca 0.18 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 2dkl h ARG 23 Cb 0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2dkl h ARG 23 CO -0.08 0.01 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.59 2dkl h LEU 24 N 0.01 0.03 0.08 3.04 3.38 -1.49 -2.98 115.31 117.38 2dkl h LEU 24 Ca 0.44 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 2dkl h LEU 24 Cb 0.70 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2dkl h LEU 24 CO -0.88 0.19 -0.04 0.40 0.09 0.00 0.00 178.44 178.20 2dkl h ILE 25 N 0.03 1.19 -0.98 1.22 1.08 0.17 -3.25 117.51 116.96 2dkl h ILE 25 Ca 0.00 -1.13 0.24 0.00 -0.39 0.00 0.00 64.86 63.59 2dkl h ILE 25 Cb 0.31 1.89 -0.18 0.00 -3.07 0.00 0.00 36.82 35.76 2dkl h ILE 25 CO 0.02 0.27 -0.08 0.50 -0.69 0.00 0.00 178.15 178.17 2dkl h LYS 26 N -0.64 0.01 -0.97 2.37 1.63 -0.80 1.32 116.57 119.50 2dkl h LYS 26 Ca -0.01 -0.00 0.17 0.00 -0.85 0.00 0.00 60.65 59.96 2dkl h LYS 26 Cb 0.52 -0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.06 2dkl h LYS 26 CO 0.02 0.00 0.61 1.96 -3.45 0.00 0.00 179.45 178.59 2dkl h GLN 27 N 0.01 0.70 0.07 1.90 1.08 -1.59 -2.13 115.11 115.14 2dkl h GLN 27 Ca 0.55 -0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.60 2dkl h GLN 27 Cb 1.02 -0.16 0.01 0.00 -0.05 0.00 0.00 27.48 28.30 2dkl h GLN 27 CO -0.96 0.46 -0.48 -0.07 -0.95 0.00 0.00 178.83 176.84 2dkl h LEU 28 N 0.72 0.22 -1.26 1.46 4.07 0.14 -3.26 115.31 117.40 2dkl h LEU 28 Ca 0.52 -0.95 0.00 0.00 0.08 0.00 0.00 57.88 57.53 2dkl h LEU 28 Cb 0.85 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.52 2dkl h LEU 28 CO -0.29 1.22 0.54 0.71 -1.08 0.00 0.00 178.44 179.55 2dkl h THR 29 N -0.70 0.00 0.13 0.22 1.35 0.02 0.61 112.91 114.54 2dkl h THR 29 Ca -0.09 0.00 -0.33 0.00 -0.55 0.00 0.00 66.41 65.43 2dkl h THR 29 Cb 1.32 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 2dkl h THR 29 CO 0.06 0.00 -1.74 -0.78 -0.25 0.00 0.00 175.52 172.80 2dkl h ASP 30 N 0.00 0.42 0.55 5.36 3.58 -1.46 -3.40 116.42 121.48 2dkl h ASP 30 Ca 0.00 -0.71 -0.03 0.00 0.42 0.00 0.00 57.03 56.71 2dkl h ASP 30 Cb 1.09 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 42.01 2dkl h ASP 30 CO 0.00 1.61 -0.27 0.24 -2.88 0.00 0.00 179.24 177.95 2dkl h MET 31 N 0.07 -0.72 0.00 0.28 2.86 0.18 -3.47 114.93 114.14 2dkl h MET 31 Ca -0.33 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2dkl h MET 31 Cb 2.05 0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.87 2dkl h MET 31 CO 0.14 -0.48 0.00 0.41 1.06 0.00 0.00 176.91 178.04 2dkl n GLY 32 N -1.18 0.00 2.99 8.32 0.00 -1.03 -5.14 105.19 109.15 2dkl n GLY 32 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 0.52 1.16 1.61 0.08 -1.22 -5.06 117.98 115.06 2dkl s PHE 33 Ca 0.00 -0.23 -0.18 0.00 0.12 0.00 0.00 56.93 56.64 2dkl s PHE 33 Cb 0.00 -0.32 0.27 0.00 -0.57 0.00 0.00 43.02 42.39 2dkl s PHE 33 CO 0.00 -0.04 1.11 -1.25 -0.10 0.00 0.00 175.22 174.94 2dkl s PRO 34 N -0.63 -0.91 0.03 0.24 0.04 -1.26 -3.35 135.00 129.16 2dkl s PRO 34 Ca -0.02 0.05 0.09 0.00 0.04 0.00 0.00 61.00 61.15 2dkl s PRO 34 Cb -0.05 -1.62 -0.22 0.00 0.04 0.00 0.00 34.50 32.64 2dkl s PRO 34 CO -0.00 -3.52 0.96 0.07 0.04 0.00 0.00 177.00 174.54 2dkl h ARG 35 N -2.45 0.02 -0.36 4.56 -0.00 -1.97 -3.22 114.38 110.96 2dkl h ARG 35 Ca -0.47 -0.04 0.03 0.00 -0.00 0.00 0.00 59.98 59.51 2dkl h ARG 35 Cb 1.30 0.01 -0.05 0.00 -0.00 0.00 0.00 29.97 31.24 2dkl h ARG 35 CO 0.39 0.77 -0.27 0.93 -0.00 0.00 0.00 179.97 181.79 2dkl h GLU 36 N 0.01 -0.07 0.02 0.08 5.08 -2.00 0.13 114.58 117.82 2dkl h GLU 36 Ca -0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2dkl h GLU 36 Cb 1.90 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.17 2dkl h GLU 36 CO 0.11 -0.05 -0.01 -1.00 -1.00 0.00 0.00 179.01 177.06 2dkl h PRO 37 N -0.07 -0.02 -0.71 2.33 0.13 -1.99 -3.02 132.00 128.65 2dkl h PRO 37 Ca 0.06 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.40 2dkl h PRO 37 Cb 0.23 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.34 2dkl h PRO 37 CO -0.38 0.46 0.80 0.00 -0.23 0.00 0.00 178.00 178.64 2dkl h ALA 38 N 0.45 2.51 0.13 -0.56 0.00 -1.52 0.38 119.26 120.65 2dkl h ALA 38 Ca -0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 2dkl h ALA 38 Cb 0.49 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2dkl h ALA 38 CO 0.00 -1.16 -1.04 1.49 0.00 0.00 0.00 179.25 178.54 2dkl h GLU 39 N 0.00 0.27 0.23 0.00 4.81 -0.65 -3.21 114.58 116.03 2dkl h GLU 39 Ca 0.34 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2dkl h GLU 39 Cb 1.93 0.17 0.00 0.00 0.63 0.00 0.00 28.75 31.48 2dkl h GLU 39 CO -0.00 1.22 -0.11 0.93 -0.73 0.00 0.00 179.01 180.32 2dkl h GLU 40 N -0.36 -0.30 -0.13 1.92 4.39 -0.26 -3.02 114.58 116.83 2dkl h GLU 40 Ca -0.20 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.54 2dkl h GLU 40 Cb 1.68 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 30.35 2dkl h GLU 40 CO 0.11 0.03 -0.35 0.00 -1.16 0.00 0.00 179.01 177.64 2dkl h ALA 41 N 0.01 -0.70 -0.94 3.43 0.00 -0.99 -2.15 119.26 117.92 2dkl h ALA 41 Ca -0.03 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.99 2dkl h ALA 41 Cb 0.46 0.88 -0.15 0.00 0.00 0.00 0.00 17.79 18.98 2dkl h ALA 41 CO 0.05 -0.83 -0.41 -0.07 0.00 0.00 0.00 179.25 177.99 2dkl h LEU 42 N -0.34 -1.50 -1.36 0.00 3.38 -1.64 1.11 115.31 114.96 2dkl h LEU 42 Ca 0.03 0.30 0.38 0.00 0.09 0.00 0.00 57.88 58.68 2dkl h LEU 42 Cb 0.42 0.76 -0.12 0.00 0.09 0.00 0.00 40.66 41.81 2dkl h LEU 42 CO -0.30 -0.29 0.77 0.11 0.09 0.00 0.00 178.44 178.83 2dkl h LYS 43 N -0.03 0.18 0.00 1.13 1.79 -1.25 1.39 116.57 119.78 2dkl h LYS 43 Ca 0.31 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 2dkl h LYS 43 Cb 0.57 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2dkl h LYS 43 CO -0.94 0.12 -1.11 0.43 -1.08 0.00 0.00 179.45 176.87 2dkl n SER 44 N -4.71 0.62 -2.24 0.86 7.64 0.34 -4.11 113.62 112.02 2dkl n SER 44 Ca 0.33 0.05 -0.30 0.00 1.01 0.00 0.00 58.87 59.96 2dkl n SER 44 Cb 1.23 0.76 0.09 0.00 -1.01 0.00 0.00 64.21 65.29 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 -2.28 6.69 -3.04 6.43 3.02 0.46 -4.86 115.26 121.69 2dkl n ASN 45 Ca 0.01 -3.65 -0.11 0.00 -0.03 0.00 0.00 54.58 50.80 2dkl n ASN 45 Cb 0.50 -0.95 -0.02 0.00 -0.61 0.00 0.00 39.78 38.69 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 -0.81 -1.28 -2.81 6.41 5.15 -0.93 0.13 115.26 121.12 2dkl n ASN 46 Ca 0.58 0.04 -0.14 0.00 -0.60 0.00 0.00 54.58 54.45 2dkl n ASN 46 Cb 0.86 -1.20 0.06 0.00 -0.53 0.00 0.00 39.78 38.97 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 -2.92 -5.27 -4.19 1.20 2.81 -0.35 -5.03 117.12 103.37 2dkl n MET 47 Ca 0.03 0.63 -0.28 0.00 -1.81 0.00 0.00 57.70 56.27 2dkl n MET 47 Cb 0.49 -5.02 -0.08 0.00 -0.71 0.00 0.00 33.22 27.90 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 -3.77 4.78 -0.21 7.83 3.84 0.35 -5.05 114.94 122.71 2dkl s ASN 48 Ca 0.14 -0.35 -0.13 0.00 0.21 0.00 0.00 52.86 52.72 2dkl s ASN 48 Cb -0.06 -1.03 -0.19 0.00 -0.55 0.00 0.00 41.25 39.42 2dkl s ASN 48 CO 0.54 0.11 0.08 -0.11 -2.79 0.00 0.00 177.10 174.94 2dkl n LEU 49 N 0.10 2.22 -0.11 3.21 7.94 -1.26 -2.92 117.00 126.17 2dkl n LEU 49 Ca -0.10 0.28 -0.05 0.00 -1.11 0.00 0.00 56.01 55.03 2dkl n LEU 49 Cb 0.54 -0.97 0.15 0.00 0.53 0.00 0.00 43.42 43.67 2dkl n LEU 49 CO 0.38 0.57 0.86 0.44 -1.11 0.00 0.00 177.39 178.54 2dkl h ASP 50 N -0.60 0.78 0.05 1.96 3.32 -1.97 0.31 116.42 120.27 2dkl h ASP 50 Ca -0.47 -0.20 -0.27 0.00 0.02 0.00 0.00 57.03 56.11 2dkl h ASP 50 Cb 1.63 -0.21 0.02 0.00 0.22 0.00 0.00 39.33 41.00 2dkl h ASP 50 CO -0.17 0.86 -1.07 1.56 -1.72 0.00 0.00 179.24 178.70 2dkl h GLN 51 N 0.75 0.63 0.16 3.56 1.08 -1.91 -3.06 115.11 116.31 2dkl h GLN 51 Ca 0.14 -0.75 -0.01 0.00 -1.45 0.00 0.00 58.65 56.58 2dkl h GLN 51 Cb 0.48 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 2dkl h GLN 51 CO 0.02 1.33 -0.08 0.00 -0.95 0.00 0.00 178.83 179.15 2dkl h ALA 52 N 0.33 -0.21 -0.56 3.87 0.00 -1.42 -2.40 119.26 118.87 2dkl h ALA 52 Ca -0.15 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.65 2dkl h ALA 52 Cb 1.75 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 19.51 2dkl h ALA 52 CO 0.21 -0.36 -0.16 0.52 0.00 0.00 0.00 179.25 179.45 2dkl h MET 53 N -0.72 -0.02 -0.49 0.00 2.86 -0.52 0.16 114.93 116.19 2dkl h MET 53 Ca -0.02 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 2dkl h MET 53 Cb 0.51 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 2dkl h MET 53 CO 0.04 -0.02 0.19 0.77 1.06 0.00 0.00 176.91 178.95 2dkl h SER 54 N -0.02 0.64 0.24 1.22 0.02 -1.59 0.21 113.55 114.26 2dkl h SER 54 Ca 0.27 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2dkl h SER 54 Cb 0.43 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 2dkl h SER 54 CO -0.59 0.58 -0.15 0.00 -1.14 0.00 0.00 176.83 175.53 2dkl h ALA 55 N 1.52 1.51 0.09 3.77 0.00 -0.18 0.38 119.26 126.35 2dkl h ALA 55 Ca 0.17 -0.13 -0.36 0.00 0.00 0.00 0.00 54.91 54.59 2dkl h ALA 55 Cb 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2dkl h ALA 55 CO -0.02 0.19 -2.00 1.28 0.00 0.00 0.00 179.25 178.70 2dkl n LEU 56 N -4.01 2.57 0.06 0.00 4.77 -0.59 -4.36 117.00 115.45 2dkl n LEU 56 Ca -0.02 0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 2dkl n LEU 56 Cb 0.23 -1.06 -0.09 0.00 -2.33 0.00 0.00 43.42 40.18 2dkl n LEU 56 CO 0.33 0.79 0.52 -0.07 -1.33 0.00 0.00 177.39 177.63 2dkl h LEU 57 N -0.11 -0.16 -0.73 2.23 3.38 -0.51 -3.20 115.31 116.21 2dkl h LEU 57 Ca -0.45 -0.36 0.30 0.00 0.09 0.00 0.00 57.88 57.46 2dkl h LEU 57 Cb 1.91 0.04 -0.13 0.00 0.09 0.00 0.00 40.66 42.57 2dkl h LEU 57 CO 0.01 0.32 0.37 -1.84 0.09 0.00 0.00 178.44 177.38 2dkl n GLU 58 N -4.95 -0.04 -0.31 1.13 -0.00 0.13 0.15 120.64 116.75 2dkl n GLU 58 Ca -0.08 1.01 0.03 0.00 -0.00 0.00 0.00 57.16 58.11 2dkl n GLU 58 Cb 0.26 -1.79 0.09 0.00 -0.00 0.00 0.00 31.44 29.99 2dkl n GLU 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2dkl n LYS 59 N -4.66 -0.12 -4.13 3.44 5.02 -1.21 -4.45 118.16 112.05 2dkl n LYS 59 Ca 0.27 1.29 -0.16 0.00 -2.02 0.00 0.00 58.31 57.69 2dkl n LYS 59 Cb 0.91 -1.92 -0.12 0.00 -0.02 0.00 0.00 35.03 33.89 2dkl n LYS 59 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2dkl s LYS 60 N -5.95 0.72 -0.52 1.97 3.01 0.12 -5.10 119.74 114.00 2dkl s LYS 60 Ca -0.12 -0.91 -0.28 0.00 -1.01 0.00 0.00 55.97 53.65 2dkl s LYS 60 Cb 0.20 -0.59 0.01 0.00 -1.01 0.00 0.00 37.83 36.44 2dkl s LYS 60 CO 0.63 0.12 1.48 0.08 0.51 0.00 0.00 175.35 178.16 2dkl s VAL 61 N -1.49 3.75 0.20 3.17 1.01 -1.26 -4.87 120.40 120.91 2dkl s VAL 61 Ca -0.04 0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.65 2dkl s VAL 61 Cb -0.09 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 2dkl s VAL 61 CO 0.01 -1.00 0.12 0.47 0.00 0.00 0.00 175.10 174.70 2dkl n ASP 62 N 9.73 0.34 -4.21 3.32 8.00 -1.26 -5.14 116.55 127.33 2dkl n ASP 62 Ca 0.15 -2.20 -0.35 0.00 0.71 0.00 0.00 54.79 53.09 2dkl n ASP 62 Cb 0.49 0.75 -0.14 0.00 -0.02 0.00 0.00 41.12 42.20 2dkl n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2dkl s VAL 63 N -2.57 3.07 0.46 2.53 0.11 -1.26 -5.10 120.40 117.63 2dkl s VAL 63 Ca 0.17 -1.12 0.07 0.00 -2.93 0.00 0.00 61.98 58.17 2dkl s VAL 63 Cb 0.01 -2.64 0.00 0.00 -1.53 0.00 0.00 36.38 32.22 2dkl s VAL 63 CO 0.12 0.06 0.42 1.51 -3.33 0.00 0.00 175.10 173.89 2dkl s ASP 64 N 1.32 4.95 0.57 3.54 1.47 -1.26 -5.10 116.67 122.16 2dkl s ASP 64 Ca -0.02 -0.88 -0.19 0.00 1.18 0.00 0.00 52.55 52.64 2dkl s ASP 64 Cb -0.18 -0.24 -0.05 0.00 -0.34 0.00 0.00 42.92 42.12 2dkl s ASP 64 CO -0.02 -0.83 1.17 -0.75 0.68 0.00 0.00 175.17 175.41 2dkl s LYS 65 N -4.22 3.15 0.32 2.11 2.47 -1.26 -4.89 119.74 117.42 2dkl s LYS 65 Ca 0.46 1.72 0.06 0.00 -1.56 0.00 0.00 55.97 56.66 2dkl s LYS 65 Cb -0.03 -1.96 0.89 0.00 -1.46 0.00 0.00 37.83 35.27 2dkl s LYS 65 CO 0.27 -1.04 1.58 0.00 0.16 0.00 0.00 175.35 176.33 2dkl h ARG 66 N 1.02 0.04 0.00 4.03 3.08 -2.06 -3.46 114.38 117.02 2dkl h ARG 66 Ca -0.50 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2dkl h ARG 66 Cb 1.28 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2dkl h ARG 66 CO 0.56 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.89 2dkl n GLY 67 N -1.42 4.28 3.46 0.04 0.00 -1.26 -5.04 105.19 105.24 2dkl n GLY 67 Ca 0.27 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 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 4.48 -0.50 0.99 1.02 -1.26 -4.88 118.68 118.53 2dkl s LEU 68 Ca 0.00 -0.91 0.06 0.00 0.02 0.00 0.00 54.13 53.30 2dkl s LEU 68 Cb 0.00 -2.48 0.22 0.00 0.02 0.00 0.00 46.19 43.95 2dkl s LEU 68 CO 0.00 -1.33 0.83 0.61 0.02 0.00 0.00 176.35 176.48 2dkl n GLY 69 N 5.27 -0.24 3.44 -3.19 0.00 -1.26 -5.10 105.19 104.11 2dkl n GLY 69 Ca -0.04 0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 2dkl n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dkl s VAL 70 N 0.77 2.80 0.13 1.61 0.11 -1.26 -5.13 120.40 119.43 2dkl s VAL 70 Ca 0.31 -0.86 0.08 0.00 -2.93 0.00 0.00 61.98 58.58 2dkl s VAL 70 Cb 0.14 -2.08 -0.04 0.00 -1.53 0.00 0.00 36.38 32.87 2dkl s VAL 70 CO -0.17 0.56 -0.18 0.28 -3.33 0.00 0.00 175.10 172.27 2dkl s THR 71 N -0.72 1.67 0.05 5.04 -1.32 -1.26 -5.15 115.64 113.94 2dkl s THR 71 Ca 0.11 -1.75 0.05 0.00 -1.21 0.00 0.00 61.69 58.90 2dkl s THR 71 Cb -0.10 -1.67 -0.02 0.00 -1.51 0.00 0.00 72.50 69.19 2dkl s THR 71 CO 0.01 -0.26 -0.15 1.51 -2.21 0.00 0.00 174.62 173.52 2dkl s ASP 72 N -2.37 1.83 -0.00 8.08 1.47 -1.26 -5.05 116.67 119.36 2dkl s ASP 72 Ca 0.11 -0.50 -0.20 0.00 1.18 0.00 0.00 52.55 53.14 2dkl s ASP 72 Cb -0.07 -0.11 -0.25 0.00 -0.34 0.00 0.00 42.92 42.14 2dkl s ASP 72 CO 0.05 0.04 1.06 1.12 0.68 0.00 0.00 175.17 178.11 2dkl h HIS 73 N 4.78 0.61 -1.92 2.11 2.07 -2.09 -3.47 115.15 117.24 2dkl h HIS 73 Ca -0.40 -0.36 -0.01 0.00 -2.85 0.00 0.00 60.37 56.76 2dkl h HIS 73 Cb 1.18 -0.06 -0.22 0.00 2.57 0.00 0.00 27.41 30.88 2dkl h HIS 73 CO 0.55 1.20 0.17 -0.80 -3.07 0.00 0.00 177.93 175.98 2dkl s ASN 74 N -6.82 -0.73 0.49 3.10 -0.87 -1.26 -5.18 114.94 103.67 2dkl s ASN 74 Ca -0.13 1.34 0.08 0.00 -1.57 0.00 0.00 52.86 52.59 2dkl s ASN 74 Cb 0.03 1.35 0.04 0.00 -0.02 0.00 0.00 41.25 42.65 2dkl s ASN 74 CO 0.83 -0.23 0.62 -0.83 -2.57 0.00 0.00 177.10 174.93 2dkl s GLY 75 N 0.62 1.91 -0.22 0.66 0.00 -1.26 -5.13 107.32 103.90 2dkl s GLY 75 Ca -0.02 -1.85 -0.07 0.00 0.00 0.00 0.00 44.72 42.78 2dkl s GLY 75 CO -0.05 -1.62 0.47 -0.29 0.00 0.00 0.00 173.10 171.61 2dkl s MET 76 N -4.44 0.38 -0.25 2.90 1.75 -1.26 -5.14 119.30 113.23 2dkl s MET 76 Ca 0.55 1.12 -0.11 0.00 -1.25 0.00 0.00 55.69 56.01 2dkl s MET 76 Cb -0.07 0.44 0.10 0.00 2.84 0.00 0.00 34.83 38.14 2dkl s MET 76 CO 0.34 -0.25 0.57 0.00 -0.65 0.00 0.00 175.02 175.03 2dkl s ALA 77 N 2.68 -1.66 -0.30 4.11 0.00 -1.26 -5.15 121.76 120.18 2dkl s ALA 77 Ca -0.02 2.05 -0.17 0.00 0.00 0.00 0.00 51.96 53.83 2dkl s ALA 77 Cb -0.12 -1.47 0.18 0.00 0.00 0.00 0.00 23.12 21.71 2dkl s ALA 77 CO -0.14 -0.67 1.14 0.00 0.00 0.00 0.00 175.76 176.09 2dkl s ALA 78 N 2.33 -2.73 -0.06 0.00 0.00 -1.26 -5.08 121.76 114.96 2dkl s ALA 78 Ca -0.06 2.01 -0.10 0.00 0.00 0.00 0.00 51.96 53.80 2dkl s ALA 78 Cb -0.10 -2.01 -0.06 0.00 0.00 0.00 0.00 23.12 20.95 2dkl s ALA 78 CO -0.17 -0.62 0.42 -0.22 0.00 0.00 0.00 175.76 175.17 2dkl h LYS 79 N 6.34 -0.29 -6.15 0.00 3.64 -2.09 -3.43 116.57 114.58 2dkl h LYS 79 Ca -0.21 0.02 -0.57 0.00 -1.27 0.00 0.00 60.65 58.61 2dkl h LYS 79 Cb 1.15 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 2dkl h LYS 79 CO 0.15 -0.13 0.85 -1.12 -2.27 0.00 0.00 179.45 176.93 2dkl s SER 80 N -5.24 6.99 0.00 4.20 0.01 -1.26 -5.00 113.70 113.40 2dkl s SER 80 Ca -0.06 1.42 0.00 0.00 1.31 0.00 0.00 55.95 58.62 2dkl s SER 80 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2dkl s SER 80 CO 0.19 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.68 2dkl n GLY 81 N 3.57 7.39 3.55 3.44 0.00 -1.26 -5.05 105.19 116.82 2dkl n GLY 81 Ca 0.13 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 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 1.12 2.62 0.28 1.61 0.04 -1.26 -4.93 135.00 134.47 2dkl s PRO 82 Ca 0.00 0.55 0.03 0.00 0.04 0.00 0.00 61.00 61.62 2dkl s PRO 82 Cb 0.00 -4.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.07 2dkl s PRO 82 CO 0.00 -2.78 0.19 -1.12 0.04 0.00 0.00 177.00 173.33 2dkl s SER 83 N 8.12 1.11 -0.19 6.66 0.01 -1.26 -5.18 113.70 122.97 2dkl s SER 83 Ca 0.67 -1.57 -0.34 0.00 1.31 0.00 0.00 55.95 56.03 2dkl s SER 83 Cb -0.12 0.44 0.14 0.00 0.21 0.00 0.00 66.02 66.69 2dkl s SER 83 CO 0.19 -0.93 1.19 -0.94 0.41 0.00 0.00 173.24 173.16 2dkl s SER 84 N -3.30 -0.16 0.00 2.44 1.04 -1.26 -5.29 113.70 107.17 2dkl s SER 84 Ca 0.38 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2dkl s SER 84 Cb 0.05 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2dkl s SER 84 CO 0.19 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.78