#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 -0.59 -0.30 1.61 0.01 -1.26 -5.16 113.70 108.02 2dkl s SER 2 Ca 0.00 0.73 -0.14 0.00 1.31 0.00 0.00 55.95 57.84 2dkl s SER 2 Cb 0.00 0.65 0.15 0.00 0.21 0.00 0.00 66.02 67.03 2dkl s SER 2 CO 0.00 -0.51 0.92 -0.55 0.41 0.00 0.00 173.24 173.51 2dkl s SER 3 N -0.92 -0.67 0.00 2.44 0.15 -1.26 -5.15 113.70 108.30 2dkl s SER 3 Ca -0.09 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.51 2dkl s SER 3 Cb -0.02 1.64 0.00 0.00 -1.71 0.00 0.00 66.02 65.93 2dkl s SER 3 CO 0.07 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2dkl n GLY 4 N 4.72 2.87 3.37 9.45 0.00 -1.26 -5.19 105.19 119.15 2dkl n GLY 4 Ca -0.12 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 0.05 0.21 1.61 0.01 -1.26 -5.18 113.70 109.14 2dkl s SER 5 Ca 0.00 -1.05 0.08 0.00 1.31 0.00 0.00 55.95 56.29 2dkl s SER 5 Cb 0.00 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 2dkl s SER 5 CO 0.00 -0.95 0.02 -0.55 0.41 0.00 0.00 173.24 172.17 2dkl s SER 6 N -3.04 4.77 0.00 2.44 0.15 -1.26 -5.11 113.70 111.65 2dkl s SER 6 Ca 0.25 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2dkl s SER 6 Cb 0.03 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 2dkl s SER 6 CO 0.06 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.16 2dkl n GLY 7 N -0.50 -0.27 3.35 9.45 0.00 -1.26 -5.07 105.19 110.88 2dkl n GLY 7 Ca -0.08 0.80 -0.31 0.00 0.00 0.00 0.00 46.02 46.42 2dkl n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dkl s GLY 8 N 0.00 1.34 -0.52 -0.02 0.00 -1.26 -5.05 107.32 101.80 2dkl s GLY 8 Ca 0.00 -1.11 -0.28 0.00 0.00 0.00 0.00 44.72 43.34 2dkl s GLY 8 CO 0.00 -0.92 2.42 -0.13 0.00 0.00 0.00 173.10 174.47 2dkl n MET 9 N 2.35 0.99 -3.61 2.90 1.56 -1.26 -4.84 117.12 115.20 2dkl n MET 9 Ca -0.16 0.08 -0.07 0.00 -0.27 0.00 0.00 57.70 57.28 2dkl n MET 9 Cb 0.51 -3.04 -0.05 0.00 2.15 0.00 0.00 33.22 32.78 2dkl n MET 9 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 2dkl s LYS 10 N 8.00 0.36 0.01 2.12 2.20 -1.26 -5.09 119.74 126.09 2dkl s LYS 10 Ca 1.05 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.83 2dkl s LYS 10 Cb -0.42 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 2dkl s LYS 10 CO 0.33 -0.10 0.00 2.41 -0.36 0.00 0.00 175.35 177.63 2dkl n THR 11 N 0.98 0.06 -1.79 3.43 -1.04 -1.26 -4.89 114.28 109.77 2dkl n THR 11 Ca -0.08 0.02 -0.20 0.00 -2.04 0.00 0.00 64.05 61.76 2dkl n THR 11 Cb 0.58 -1.20 -0.07 0.00 -1.82 0.00 0.00 70.33 67.81 2dkl n THR 11 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2dkl s SER 12 N -5.05 4.34 0.24 8.00 0.15 -1.26 -4.82 113.70 115.30 2dkl s SER 12 Ca 0.00 -0.60 -0.22 0.00 0.70 0.00 0.00 55.95 55.83 2dkl s SER 12 Cb 0.00 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.78 2dkl s SER 12 CO 0.00 -3.59 0.76 -0.83 1.20 0.00 0.00 173.24 170.78 2dkl s GLY 13 N 8.97 -0.18 1.03 9.45 0.00 -1.26 -5.16 107.32 120.17 2dkl s GLY 13 Ca 0.80 -0.12 -0.17 0.00 0.00 0.00 0.00 44.72 45.23 2dkl s GLY 13 CO 0.08 -0.04 -0.09 0.28 0.00 0.00 0.00 173.10 173.32 2dkl n LYS 14 N -0.45 -0.73 -1.93 2.90 5.02 -1.26 -4.76 118.16 116.94 2dkl n LYS 14 Ca -0.06 -0.19 -0.41 0.00 -2.02 0.00 0.00 58.31 55.63 2dkl n LYS 14 Cb 0.60 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 2dkl n LYS 14 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2dkl s GLN 15 N -3.20 2.98 -0.07 1.97 2.00 -1.26 -4.94 119.66 117.14 2dkl s GLN 15 Ca 0.52 1.24 -0.02 0.00 -2.00 0.00 0.00 55.36 55.11 2dkl s GLN 15 Cb -0.14 -4.31 0.03 0.00 0.80 0.00 0.00 33.01 29.40 2dkl s GLN 15 CO 0.69 -2.28 0.03 -0.51 -0.50 0.00 0.00 175.29 172.72 2dkl s ASP 16 N 7.51 1.51 0.53 6.67 1.01 -1.26 -5.01 116.67 127.64 2dkl s ASP 16 Ca 0.80 -0.08 0.40 0.00 0.71 0.00 0.00 52.55 54.37 2dkl s ASP 16 Cb -0.20 -0.31 1.58 0.00 1.01 0.00 0.00 42.92 45.00 2dkl s ASP 16 CO 0.29 -0.23 1.72 -0.33 0.21 0.00 0.00 175.17 176.83 2dkl h GLU 17 N 8.38 0.03 0.09 8.23 5.08 -1.99 -0.70 114.58 133.69 2dkl h GLU 17 Ca -0.16 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2dkl h GLU 17 Cb 1.12 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 2dkl h GLU 17 CO 0.22 0.02 -0.52 0.00 -1.00 0.00 0.00 179.01 177.72 2dkl h ALA 18 N 1.31 -0.96 -0.15 3.43 0.00 -1.97 0.30 119.26 121.21 2dkl h ALA 18 Ca 0.70 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 2dkl h ALA 18 Cb 2.72 0.90 -0.01 0.00 0.00 0.00 0.00 17.79 21.40 2dkl h ALA 18 CO -0.05 -1.11 0.05 0.11 0.00 0.00 0.00 179.25 178.25 2dkl h TRP 19 N -0.73 0.20 -0.53 0.00 5.08 -1.47 -2.17 115.95 116.33 2dkl h TRP 19 Ca 0.00 -0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.85 2dkl h TRP 19 Cb 0.75 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 26.83 2dkl h TRP 19 CO -0.46 0.17 -0.15 0.82 -1.28 0.00 0.00 178.44 177.54 2dkl h ILE 20 N 0.20 1.27 -1.01 0.12 2.04 -1.02 -3.05 117.51 116.06 2dkl h ILE 20 Ca 0.05 -1.31 0.42 0.00 1.00 0.00 0.00 64.86 65.02 2dkl h ILE 20 Cb 0.06 1.02 -0.18 0.00 -0.74 0.00 0.00 36.82 36.98 2dkl h ILE 20 CO -0.00 0.46 0.55 -0.03 0.00 0.00 0.00 178.15 179.12 2dkl h MET 21 N 0.90 0.02 -0.35 2.37 4.05 0.22 0.91 114.93 123.04 2dkl h MET 21 Ca 0.13 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.53 2dkl h MET 21 Cb 0.72 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 2dkl h MET 21 CO 0.06 0.01 0.15 0.77 0.23 0.00 0.00 176.91 178.13 2dkl h SER 22 N 0.02 0.48 -0.79 1.39 0.02 -1.66 -3.16 113.55 109.86 2dkl h SER 22 Ca 0.84 -0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.71 2dkl h SER 22 Cb 2.23 -0.12 -0.09 0.00 0.14 0.00 0.00 62.40 64.55 2dkl h SER 22 CO -0.76 0.51 -0.46 0.54 -1.14 0.00 0.00 176.83 175.52 2dkl n ARG 23 N -4.70 -0.35 0.02 3.45 1.74 0.31 0.23 116.66 117.37 2dkl n ARG 23 Ca -0.01 1.23 0.12 0.00 -0.77 0.00 0.00 57.85 58.42 2dkl n ARG 23 Cb 0.13 -1.81 0.57 0.00 -1.02 0.00 0.00 32.46 30.33 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 0.21 -0.06 0.55 3.38 -1.59 -2.16 115.31 115.64 2dkl h LEU 24 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2dkl h LEU 24 Cb 0.32 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2dkl h LEU 24 CO -0.74 0.13 -0.06 0.40 0.09 0.00 0.00 178.44 178.27 2dkl h ILE 25 N 0.24 1.36 -0.93 1.22 1.08 0.30 -3.19 117.51 117.59 2dkl h ILE 25 Ca 0.20 -1.18 0.27 0.00 -0.39 0.00 0.00 64.86 63.77 2dkl h ILE 25 Cb 0.49 2.01 -0.16 0.00 -3.07 0.00 0.00 36.82 36.09 2dkl h ILE 25 CO -0.04 0.32 0.22 0.50 -0.69 0.00 0.00 178.15 178.46 2dkl h LYS 26 N -0.27 0.12 -0.88 2.37 3.64 0.28 1.00 116.57 122.82 2dkl h LYS 26 Ca 0.01 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 2dkl h LYS 26 Cb 0.55 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 2dkl h LYS 26 CO 0.01 0.08 0.57 1.96 -2.27 0.00 0.00 179.45 179.80 2dkl h GLN 27 N 0.12 0.89 0.00 1.90 7.50 -1.53 -1.43 115.11 122.56 2dkl h GLN 27 Ca 0.61 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.70 2dkl h GLN 27 Cb 1.30 -0.20 -0.00 0.00 0.05 0.00 0.00 27.48 28.63 2dkl h GLN 27 CO -0.75 0.59 -0.03 -0.07 -1.50 0.00 0.00 178.83 177.07 2dkl h LEU 28 N 0.92 0.00 -1.53 1.46 4.07 0.76 -2.97 115.31 118.01 2dkl h LEU 28 Ca 0.40 -0.47 0.38 0.00 0.08 0.00 0.00 57.88 58.27 2dkl h LEU 28 Cb 0.34 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.98 2dkl h LEU 28 CO -0.16 0.75 0.84 0.71 -1.08 0.00 0.00 178.44 179.50 2dkl h THR 29 N -1.00 0.28 0.00 0.22 1.35 -0.42 1.51 112.91 114.85 2dkl h THR 29 Ca -0.00 -0.05 -0.14 0.00 -0.55 0.00 0.00 66.41 65.66 2dkl h THR 29 Cb 0.49 0.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.00 2dkl h THR 29 CO -0.00 0.03 -0.71 -0.78 -0.25 0.00 0.00 175.52 173.80 2dkl h ASP 30 N 0.16 0.00 0.24 5.36 1.82 -1.36 -3.37 116.42 119.26 2dkl h ASP 30 Ca 0.72 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 57.35 2dkl h ASP 30 Cb 2.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.31 2dkl h ASP 30 CO -0.28 0.67 -0.11 0.24 -1.61 0.00 0.00 179.24 178.14 2dkl h MET 31 N 0.00 -0.31 0.00 0.28 2.86 0.23 -3.48 114.93 114.51 2dkl h MET 31 Ca -0.02 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2dkl h MET 31 Cb 1.52 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.25 2dkl h MET 31 CO 0.08 -0.20 0.00 0.41 1.06 0.00 0.00 176.91 178.26 2dkl n GLY 32 N 0.26 0.00 2.95 8.32 0.00 -0.65 -5.10 105.19 110.96 2dkl n GLY 32 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 0.24 0.70 1.61 0.08 -1.20 -5.05 117.98 114.36 2dkl s PHE 33 Ca 0.00 -0.28 -0.13 0.00 0.12 0.00 0.00 56.93 56.63 2dkl s PHE 33 Cb 0.00 -0.16 0.02 0.00 -0.57 0.00 0.00 43.02 42.31 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 -0.80 2.58 0.39 0.24 0.04 -1.26 -3.43 135.00 132.76 2dkl s PRO 34 Ca -0.07 1.30 0.16 0.00 0.04 0.00 0.00 61.00 62.43 2dkl s PRO 34 Cb -0.05 -1.93 0.79 0.00 0.04 0.00 0.00 34.50 33.35 2dkl s PRO 34 CO -0.00 -1.41 1.82 0.07 0.04 0.00 0.00 177.00 177.52 2dkl h ARG 35 N -0.44 0.00 -0.35 4.56 0.11 -1.96 -3.03 114.38 113.27 2dkl h ARG 35 Ca -0.45 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.66 2dkl h ARG 35 Cb 1.24 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.27 2dkl h ARG 35 CO 0.53 0.35 -0.30 0.93 0.10 0.00 0.00 179.97 181.59 2dkl h GLU 36 N 0.00 -0.11 0.05 0.08 3.07 -2.01 -1.49 114.58 114.18 2dkl h GLU 36 Ca -0.00 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2dkl h GLU 36 Cb 0.70 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2dkl h GLU 36 CO 0.05 -0.07 -0.02 -1.00 -1.40 0.00 0.00 179.01 176.56 2dkl h PRO 37 N -0.11 -0.07 -1.80 2.33 0.13 -1.97 -3.02 132.00 127.49 2dkl h PRO 37 Ca 0.06 0.00 0.52 0.00 -0.87 0.00 0.00 66.00 65.71 2dkl h PRO 37 Cb 0.26 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 31.34 2dkl h PRO 37 CO -0.39 0.39 1.39 0.00 -0.23 0.00 0.00 178.00 179.16 2dkl h ALA 38 N 0.34 3.71 0.01 -0.56 0.00 -1.38 0.64 119.26 122.03 2dkl h ALA 38 Ca -0.01 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2dkl h ALA 38 Cb 0.49 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2dkl h ALA 38 CO 0.01 -2.32 -0.69 1.49 0.00 0.00 0.00 179.25 177.74 2dkl h GLU 39 N 0.00 0.03 0.13 0.00 4.22 -1.22 -3.23 114.58 114.51 2dkl h GLU 39 Ca 0.85 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 60.24 2dkl h GLU 39 Cb 3.62 0.02 0.00 0.00 0.50 0.00 0.00 28.75 32.89 2dkl h GLU 39 CO -0.01 1.02 -0.06 0.93 -2.18 0.00 0.00 179.01 178.71 2dkl h GLU 40 N -0.92 -0.17 0.01 1.92 4.39 0.19 -2.82 114.58 117.19 2dkl h GLU 40 Ca -0.18 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2dkl h GLU 40 Cb 1.22 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2dkl h GLU 40 CO -0.08 -0.06 -0.04 0.00 -1.16 0.00 0.00 179.01 177.67 2dkl h ALA 41 N 0.64 -0.60 -0.55 3.43 0.00 -0.59 -2.82 119.26 118.77 2dkl h ALA 41 Ca -0.02 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2dkl h ALA 41 Cb 0.18 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 2dkl h ALA 41 CO 0.03 -0.61 -0.33 1.28 0.00 0.00 0.00 179.25 179.63 2dkl n LEU 42 N -2.66 -0.58 -0.29 0.00 4.77 -1.22 0.13 117.00 117.15 2dkl n LEU 42 Ca -0.01 1.24 0.25 0.00 -0.03 0.00 0.00 56.01 57.47 2dkl n LEU 42 Cb 0.03 -0.26 0.46 0.00 -2.33 0.00 0.00 43.42 41.32 2dkl n LEU 42 CO 0.01 -0.93 0.89 0.29 -1.33 0.00 0.00 177.39 176.32 2dkl n LYS 43 N -4.31 -0.06 0.06 3.23 4.76 -1.06 0.21 118.16 121.00 2dkl n LYS 43 Ca 0.01 1.25 -0.13 0.00 -2.87 0.00 0.00 58.31 56.58 2dkl n LYS 43 Cb 0.14 -2.18 -0.13 0.00 -1.84 0.00 0.00 35.03 31.02 2dkl n LYS 43 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2dkl h SER 44 N 0.00 0.23 -0.27 4.39 0.87 0.14 -3.30 113.55 115.61 2dkl h SER 44 Ca 0.70 -0.29 -0.16 0.00 -1.23 0.00 0.00 61.79 60.82 2dkl h SER 44 Cb 1.78 -0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 63.59 2dkl h SER 44 CO -0.72 1.24 0.20 0.59 -0.53 0.00 0.00 176.83 177.61 2dkl n ASN 45 N -3.39 4.37 -4.22 6.23 3.02 0.57 -4.81 115.26 117.03 2dkl n ASN 45 Ca -0.10 -2.58 -0.36 0.00 -0.03 0.00 0.00 54.58 51.51 2dkl n ASN 45 Cb 1.01 -0.80 -0.06 0.00 -0.61 0.00 0.00 39.78 39.32 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 0.39 -2.09 -2.95 6.41 2.85 -0.71 0.08 115.26 119.23 2dkl n ASN 46 Ca 0.17 -0.98 -0.13 0.00 -0.11 0.00 0.00 54.58 53.52 2dkl n ASN 46 Cb 0.70 -1.80 0.07 0.00 1.24 0.00 0.00 39.78 39.99 2dkl n ASN 46 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 2dkl n MET 47 N -3.93 -4.29 -4.83 1.20 2.81 -0.38 -5.02 117.12 102.69 2dkl n MET 47 Ca 0.09 0.69 -0.31 0.00 -1.81 0.00 0.00 57.70 56.37 2dkl n MET 47 Cb 0.47 -5.17 -0.14 0.00 -0.71 0.00 0.00 33.22 27.67 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 -3.86 3.46 -0.15 7.83 -0.87 0.11 -5.06 114.94 116.41 2dkl s ASN 48 Ca 0.11 -0.50 -0.13 0.00 -1.57 0.00 0.00 52.86 50.78 2dkl s ASN 48 Cb -0.01 -0.45 -0.09 0.00 -0.02 0.00 0.00 41.25 40.67 2dkl s ASN 48 CO 0.59 0.27 0.07 0.25 -2.57 0.00 0.00 177.10 175.71 2dkl h LEU 49 N 4.75 0.00 -0.74 0.60 5.85 -1.96 -2.81 115.31 121.00 2dkl h LEU 49 Ca -0.47 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.01 2dkl h LEU 49 Cb 1.15 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 2dkl h LEU 49 CO 0.46 0.92 0.49 -2.24 -0.34 0.00 0.00 178.44 177.72 2dkl h ASP 50 N -1.00 0.84 -0.39 1.25 3.04 -1.98 0.12 116.42 118.30 2dkl h ASP 50 Ca -0.09 -0.02 -0.12 0.00 -3.24 0.00 0.00 57.03 53.56 2dkl h ASP 50 Cb 0.66 -0.21 -0.01 0.00 -1.04 0.00 0.00 39.33 38.73 2dkl h ASP 50 CO -0.05 0.60 -0.23 1.56 -2.04 0.00 0.00 179.24 179.08 2dkl h GLN 51 N 0.99 0.84 0.67 4.15 4.20 -1.93 -3.13 115.11 120.91 2dkl h GLN 51 Ca 0.28 -0.39 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 2dkl h GLN 51 Cb -0.09 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.68 2dkl h GLN 51 CO -0.07 1.03 -0.32 0.00 -0.67 0.00 0.00 178.83 178.80 2dkl h ALA 52 N 0.80 -0.90 -0.72 3.87 0.00 -1.19 -3.09 119.26 118.03 2dkl h ALA 52 Ca 0.08 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.84 2dkl h ALA 52 Cb 0.80 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 2dkl h ALA 52 CO 0.07 -0.89 -0.42 -1.33 0.00 0.00 0.00 179.25 176.68 2dkl n MET 53 N -5.40 -0.32 -0.37 0.00 2.81 0.38 0.15 117.12 114.38 2dkl n MET 53 Ca -0.12 1.30 0.30 0.00 -1.81 0.00 0.00 57.70 57.37 2dkl n MET 53 Cb 0.37 -1.92 0.60 0.00 -0.71 0.00 0.00 33.22 31.56 2dkl n MET 53 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2dkl h SER 54 N 0.00 0.31 -0.08 7.83 0.87 -1.61 1.05 113.55 121.91 2dkl h SER 54 Ca 0.11 0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 2dkl h SER 54 Cb 0.29 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2dkl h SER 54 CO -0.67 -0.02 -0.11 0.00 -0.53 0.00 0.00 176.83 175.49 2dkl h ALA 55 N 1.57 1.36 0.19 6.23 0.00 0.15 0.15 119.26 128.91 2dkl h ALA 55 Ca 0.68 -0.24 -0.33 0.00 0.00 0.00 0.00 54.91 55.01 2dkl h ALA 55 Cb 2.04 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 19.72 2dkl h ALA 55 CO -0.29 0.44 -1.62 -0.07 0.00 0.00 0.00 179.25 177.70 2dkl h LEU 56 N 0.37 0.64 0.35 0.00 3.38 0.16 -3.36 115.31 116.86 2dkl h LEU 56 Ca 0.07 -0.93 -0.02 0.00 0.09 0.00 0.00 57.88 57.10 2dkl h LEU 56 Cb 0.43 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2dkl h LEU 56 CO 0.02 1.74 -0.17 -0.07 0.09 0.00 0.00 178.44 180.06 2dkl h LEU 57 N 0.05 -0.40 -0.76 1.67 3.38 -0.71 -3.21 115.31 115.33 2dkl h LEU 57 Ca -0.31 -0.15 0.16 0.00 0.09 0.00 0.00 57.88 57.66 2dkl h LEU 57 Cb 2.06 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 42.77 2dkl h LEU 57 CO 0.19 -0.02 -0.16 -1.84 0.09 0.00 0.00 178.44 176.69 2dkl n GLU 58 N -5.15 -0.07 -0.13 1.13 0.28 0.51 -0.78 120.64 116.43 2dkl n GLU 58 Ca -0.10 1.18 -0.03 0.00 -0.16 0.00 0.00 57.16 58.04 2dkl n GLU 58 Cb 0.27 -1.77 -0.03 0.00 1.43 0.00 0.00 31.44 31.34 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 -5.21 -0.14 -4.95 3.44 5.02 -1.21 -4.43 118.16 110.67 2dkl n LYS 59 Ca 0.13 0.94 -0.30 0.00 -2.02 0.00 0.00 58.31 57.06 2dkl n LYS 59 Cb 0.40 -1.39 -0.15 0.00 -0.02 0.00 0.00 35.03 33.87 2dkl n LYS 59 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2dkl s LYS 60 N -3.98 1.82 -0.32 1.97 -2.85 0.04 -5.10 119.74 111.32 2dkl s LYS 60 Ca -0.04 -1.07 -0.27 0.00 -1.00 0.00 0.00 55.97 53.59 2dkl s LYS 60 Cb 0.03 -1.96 0.01 0.00 -2.06 0.00 0.00 37.83 33.86 2dkl s LYS 60 CO 0.20 0.51 0.97 0.08 0.10 0.00 0.00 175.35 177.21 2dkl s VAL 61 N -0.77 4.61 0.27 1.79 1.01 -1.26 -4.78 120.40 121.26 2dkl s VAL 61 Ca 0.11 1.51 0.01 0.00 0.00 0.00 0.00 61.98 63.61 2dkl s VAL 61 Cb -0.10 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 2dkl s VAL 61 CO 0.02 -0.41 0.26 1.51 0.00 0.00 0.00 175.10 176.48 2dkl s ASP 62 N 1.65 0.78 -0.23 3.32 1.47 -1.26 -5.15 116.67 117.26 2dkl s ASP 62 Ca 0.40 -1.50 0.01 0.00 1.18 0.00 0.00 52.55 52.65 2dkl s ASP 62 Cb -0.13 0.50 0.05 0.00 -0.34 0.00 0.00 42.92 43.00 2dkl s ASP 62 CO 0.15 -1.00 -0.10 0.54 0.68 0.00 0.00 175.17 175.43 2dkl s VAL 63 N -3.75 1.78 0.18 2.11 0.11 -1.26 -5.11 120.40 114.47 2dkl s VAL 63 Ca 0.37 -1.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 2dkl s VAL 63 Cb 0.04 -1.91 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 2dkl s VAL 63 CO 0.19 0.06 0.07 1.51 -3.33 0.00 0.00 175.10 173.59 2dkl s ASP 64 N 1.31 0.66 -0.09 3.54 1.47 -1.26 -5.16 116.67 117.14 2dkl s ASP 64 Ca -0.04 -1.28 -0.00 0.00 1.18 0.00 0.00 52.55 52.41 2dkl s ASP 64 Cb -0.18 0.25 0.02 0.00 -0.34 0.00 0.00 42.92 42.67 2dkl s ASP 64 CO -0.07 -0.72 -0.06 -0.75 0.68 0.00 0.00 175.17 174.26 2dkl s LYS 65 N -4.04 1.21 1.01 2.11 2.20 -1.26 -5.14 119.74 115.82 2dkl s LYS 65 Ca 0.30 -0.15 -0.15 0.00 -0.36 0.00 0.00 55.97 55.61 2dkl s LYS 65 Cb 0.07 -1.31 0.20 0.00 -1.51 0.00 0.00 37.83 35.28 2dkl s LYS 65 CO 0.07 -0.22 1.17 -0.98 -0.36 0.00 0.00 175.35 175.03 2dkl s ARG 66 N 1.57 0.35 0.00 4.03 1.04 -1.26 -5.03 118.95 119.66 2dkl s ARG 66 Ca 0.01 0.03 0.00 0.00 -1.04 0.00 0.00 55.73 54.73 2dkl s ARG 66 Cb -0.13 -1.77 0.00 0.00 -2.04 0.00 0.00 34.95 31.01 2dkl s ARG 66 CO -0.05 -2.68 0.00 0.41 -0.04 0.00 0.00 175.30 172.93 2dkl n GLY 67 N -2.20 0.00 3.67 3.88 0.00 -1.26 -5.14 105.19 104.15 2dkl n GLY 67 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2dkl n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dkl s LEU 68 N 0.00 4.17 0.00 0.99 2.96 -1.26 -4.89 118.68 120.66 2dkl s LEU 68 Ca 0.00 1.24 0.00 0.00 -0.22 0.00 0.00 54.13 55.15 2dkl s LEU 68 Cb 0.00 -3.32 0.00 0.00 0.50 0.00 0.00 46.19 43.37 2dkl s LEU 68 CO 0.00 -0.44 0.00 0.61 -1.32 0.00 0.00 176.35 175.20 2dkl n GLY 69 N 3.40 -1.50 0.68 7.98 0.00 -1.26 -4.82 105.19 109.68 2dkl n GLY 69 Ca 0.06 -1.27 -0.06 0.00 0.00 0.00 0.00 46.02 44.75 2dkl n GLY 69 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dkl n VAL 70 N -0.34 1.12 -3.86 1.61 0.31 -1.26 -4.99 118.33 110.91 2dkl n VAL 70 Ca 0.00 0.18 -0.27 0.00 -0.01 0.00 0.00 64.34 64.24 2dkl n VAL 70 Cb 0.00 -1.81 -0.07 0.00 -0.91 0.00 0.00 33.84 31.05 2dkl n VAL 70 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2dkl n THR 71 N -3.76 -0.47 -2.04 2.52 -2.24 -1.26 -4.78 114.28 102.26 2dkl n THR 71 Ca -0.10 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 2dkl n THR 71 Cb 0.33 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.91 2dkl n THR 71 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2dkl s ASP 72 N -3.54 6.70 -0.99 3.42 1.01 -1.26 -4.95 116.67 117.06 2dkl s ASP 72 Ca 0.25 2.36 -0.08 0.00 0.71 0.00 0.00 52.55 55.78 2dkl s ASP 72 Cb -0.14 -2.56 0.25 0.00 1.01 0.00 0.00 42.92 41.47 2dkl s ASP 72 CO 0.77 -0.81 0.95 -2.28 0.21 0.00 0.00 175.17 174.00 2dkl s HIS 73 N 2.40 4.06 0.14 4.23 2.46 -1.26 -5.02 115.29 122.31 2dkl s HIS 73 Ca 0.70 -2.63 0.06 0.00 0.47 0.00 0.00 55.06 53.66 2dkl s HIS 73 Cb -0.37 -3.69 -0.04 0.00 -0.13 0.00 0.00 32.58 28.35 2dkl s HIS 73 CO 0.30 -0.91 -0.14 -0.80 -2.47 0.00 0.00 174.74 170.72 2dkl s ASN 74 N 1.17 2.11 -1.04 9.88 -0.87 -1.26 -4.88 114.94 120.06 2dkl s ASN 74 Ca 0.27 -0.86 -0.06 0.00 -1.57 0.00 0.00 52.86 50.63 2dkl s ASN 74 Cb -0.10 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.25 40.99 2dkl s ASN 74 CO -0.09 -0.16 0.90 0.61 -2.57 0.00 0.00 177.10 175.80 2dkl n GLY 75 N 0.32 -1.17 3.45 0.66 0.00 -1.26 -4.91 105.19 102.28 2dkl n GLY 75 Ca -0.14 0.58 -0.44 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.38 4.07 0.12 1.61 0.23 -1.26 -4.91 119.30 114.77 2dkl s MET 76 Ca 0.43 -2.58 -0.25 0.00 -1.03 0.00 0.00 55.69 52.26 2dkl s MET 76 Cb -0.06 -5.01 0.08 0.00 -1.53 0.00 0.00 34.83 28.31 2dkl s MET 76 CO 0.75 -1.72 1.09 0.00 -2.03 0.00 0.00 175.02 173.11 2dkl s ALA 77 N 1.41 -1.82 -0.16 3.16 0.00 -1.26 -5.19 121.76 117.91 2dkl s ALA 77 Ca 0.41 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.02 2dkl s ALA 77 Cb -0.04 0.70 0.12 0.00 0.00 0.00 0.00 23.12 23.90 2dkl s ALA 77 CO -0.01 -1.07 0.95 0.00 0.00 0.00 0.00 175.76 175.63 2dkl s ALA 78 N -2.41 -1.91 -0.08 0.00 0.00 -1.26 -5.16 121.76 110.93 2dkl s ALA 78 Ca 0.20 1.58 0.01 0.00 0.00 0.00 0.00 51.96 53.75 2dkl s ALA 78 Cb -0.01 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.45 2dkl s ALA 78 CO 0.03 -0.31 -0.10 0.21 0.00 0.00 0.00 175.76 175.58 2dkl s LYS 79 N -0.99 1.61 -0.17 0.00 2.36 -1.26 -5.13 119.74 116.16 2dkl s LYS 79 Ca -0.03 -0.34 -0.04 0.00 -2.55 0.00 0.00 55.97 53.01 2dkl s LYS 79 Cb -0.01 -1.46 -0.03 0.00 -1.05 0.00 0.00 37.83 35.29 2dkl s LYS 79 CO 0.02 -0.09 -0.02 -1.54 1.55 0.00 0.00 175.35 175.27 2dkl s SER 80 N 1.06 4.80 0.00 1.43 1.04 -1.26 -4.99 113.70 115.78 2dkl s SER 80 Ca -0.07 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.20 2dkl s SER 80 Cb -0.15 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.18 2dkl s SER 80 CO -0.01 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.94 2dkl n GLY 81 N 3.84 -1.66 3.56 7.32 0.00 -1.26 -5.11 105.19 111.88 2dkl n GLY 81 Ca -0.17 0.84 -0.40 0.00 0.00 0.00 0.00 46.02 46.29 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 2.82 0.95 1.61 0.04 -1.26 -4.98 135.00 134.19 2dkl s PRO 82 Ca 0.00 0.79 -0.11 0.00 0.04 0.00 0.00 61.00 61.72 2dkl s PRO 82 Cb 0.00 -4.33 0.16 0.00 0.04 0.00 0.00 34.50 30.38 2dkl s PRO 82 CO 0.00 -2.49 1.11 0.45 0.04 0.00 0.00 177.00 176.11 2dkl s SER 83 N 7.44 2.73 0.00 6.66 0.15 -1.26 -4.99 113.70 124.43 2dkl s SER 83 Ca 0.69 1.94 0.00 0.00 0.70 0.00 0.00 55.95 59.28 2dkl s SER 83 Cb -0.15 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2dkl s SER 83 CO 0.24 -3.18 0.00 -0.24 1.20 0.00 0.00 173.24 171.26 2dkl n SER 84 N -4.27 2.44 0.00 5.45 2.88 -1.26 -5.34 113.62 113.51 2dkl n SER 84 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2dkl n SER 84 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2dkl n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42