#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 0.07 -0.29 1.61 1.04 -1.26 -5.15 113.70 109.72 2dkl s SER 2 Ca 0.00 -0.18 -0.16 0.00 0.48 0.00 0.00 55.95 56.09 2dkl s SER 2 Cb 0.00 0.12 0.16 0.00 0.10 0.00 0.00 66.02 66.40 2dkl s SER 2 CO 0.00 -0.19 1.03 -0.94 0.98 0.00 0.00 173.24 174.12 2dkl s SER 3 N -0.78 -0.45 0.00 7.02 1.04 -1.26 -5.12 113.70 114.16 2dkl s SER 3 Ca -0.09 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2dkl s SER 3 Cb -0.05 1.27 0.00 0.00 0.10 0.00 0.00 66.02 67.34 2dkl s SER 3 CO -0.00 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2dkl n GLY 4 N 3.91 -1.79 3.23 7.32 0.00 -1.26 -5.13 105.19 111.46 2dkl n GLY 4 Ca -0.16 0.97 -0.37 0.00 0.00 0.00 0.00 46.02 46.47 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 5.16 0.21 1.61 0.01 -1.26 -5.08 113.70 114.36 2dkl s SER 5 Ca 0.00 -1.25 -0.06 0.00 1.31 0.00 0.00 55.95 55.94 2dkl s SER 5 Cb 0.00 -1.81 -0.02 0.00 0.21 0.00 0.00 66.02 64.40 2dkl s SER 5 CO 0.00 -0.32 0.28 -0.94 0.41 0.00 0.00 173.24 172.67 2dkl s SER 6 N 1.39 0.05 0.00 2.44 1.04 -1.26 -5.06 113.70 112.31 2dkl s SER 6 Ca -0.02 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.26 2dkl s SER 6 Cb -0.20 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2dkl s SER 6 CO 0.01 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.88 2dkl n GLY 7 N -0.30 1.59 2.99 7.32 0.00 -1.26 -5.01 105.19 110.52 2dkl n GLY 7 Ca -0.01 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 0.67 0.13 -0.02 0.00 -1.26 -5.11 107.32 101.73 2dkl s GLY 8 Ca 0.00 -0.32 -0.31 0.00 0.00 0.00 0.00 44.72 44.09 2dkl s GLY 8 CO 0.00 0.15 1.84 -3.16 0.00 0.00 0.00 173.10 171.93 2dkl s MET 9 N 0.63 4.13 -0.31 2.90 0.00 -1.26 -4.87 119.30 120.52 2dkl s MET 9 Ca -0.12 2.62 -0.28 0.00 0.00 0.00 0.00 55.69 57.91 2dkl s MET 9 Cb -0.14 -3.59 -0.04 0.00 0.00 0.00 0.00 34.83 31.05 2dkl s MET 9 CO 0.02 -0.85 2.09 0.15 0.00 0.00 0.00 175.02 176.43 2dkl s LYS 10 N 2.74 3.04 0.51 3.16 1.02 -1.26 -4.82 119.74 124.13 2dkl s LYS 10 Ca 0.81 1.68 0.33 0.00 0.02 0.00 0.00 55.97 58.82 2dkl s LYS 10 Cb -0.46 -4.34 1.46 0.00 -0.52 0.00 0.00 37.83 33.96 2dkl s LYS 10 CO 0.37 -2.21 1.78 0.00 -0.92 0.00 0.00 175.35 174.37 2dkl h THR 11 N 7.10 0.40 -2.73 2.17 1.03 -2.07 -3.39 112.91 115.41 2dkl h THR 11 Ca -0.36 -0.03 -0.58 0.00 -0.01 0.00 0.00 66.41 65.43 2dkl h THR 11 Cb 1.22 0.31 -0.08 0.00 -1.07 0.00 0.00 68.15 68.52 2dkl h THR 11 CO 1.02 0.02 -0.59 -0.55 -0.01 0.00 0.00 175.52 175.41 2dkl s SER 12 N -5.11 5.34 0.00 0.00 0.15 -1.26 -5.09 113.70 107.74 2dkl s SER 12 Ca -0.06 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2dkl s SER 12 Cb 0.24 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 2dkl s SER 12 CO 0.81 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.93 2dkl n GLY 13 N -0.30 4.30 3.76 9.45 0.00 -1.26 -5.13 105.19 116.01 2dkl n GLY 13 Ca -0.09 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 2dkl n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dkl s LYS 14 N -3.32 3.54 -0.17 1.61 -2.85 -1.26 -4.93 119.74 112.36 2dkl s LYS 14 Ca 0.00 1.92 -0.29 0.00 -1.00 0.00 0.00 55.97 56.60 2dkl s LYS 14 Cb 0.00 -2.34 -0.03 0.00 -2.06 0.00 0.00 37.83 33.40 2dkl s LYS 14 CO 0.00 -0.77 1.55 -0.65 0.10 0.00 0.00 175.35 175.58 2dkl s GLN 15 N -2.79 3.98 0.44 1.78 -1.52 -1.26 -5.00 119.66 115.30 2dkl s GLN 15 Ca 0.67 1.79 0.08 0.00 -1.95 0.00 0.00 55.36 55.95 2dkl s GLN 15 Cb -0.32 -3.97 0.02 0.00 -0.22 0.00 0.00 33.01 28.52 2dkl s GLN 15 CO 0.39 -1.06 0.57 0.34 -0.25 0.00 0.00 175.29 175.28 2dkl s ASP 16 N 3.54 5.48 -0.10 5.90 2.15 -1.26 -5.05 116.67 127.33 2dkl s ASP 16 Ca 0.68 -0.54 0.05 0.00 0.43 0.00 0.00 52.55 53.17 2dkl s ASP 16 Cb -0.26 -0.49 -0.24 0.00 -0.30 0.00 0.00 42.92 41.62 2dkl s ASP 16 CO 0.27 -0.83 0.45 -0.62 -0.17 0.00 0.00 175.17 174.26 2dkl n GLU 17 N -1.86 0.69 -0.08 4.34 -0.58 -1.26 -3.94 120.64 117.95 2dkl n GLU 17 Ca 0.08 0.25 -0.07 0.00 -0.42 0.00 0.00 57.16 57.00 2dkl n GLU 17 Cb 0.60 -1.73 -0.01 0.00 -0.57 0.00 0.00 31.44 29.73 2dkl n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dkl h ALA 18 N 0.57 -0.09 -0.49 0.62 0.00 -2.01 0.34 119.26 118.20 2dkl h ALA 18 Ca -0.38 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2dkl h ALA 18 Cb 2.03 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 20.34 2dkl h ALA 18 CO 0.07 -0.66 0.25 0.11 0.00 0.00 0.00 179.25 179.02 2dkl h TRP 19 N -0.23 0.66 -0.19 0.00 5.08 -2.01 -2.72 115.95 116.54 2dkl h TRP 19 Ca 0.16 -0.01 -0.01 0.00 1.08 0.00 0.00 58.89 60.10 2dkl h TRP 19 Cb 0.47 -0.21 -0.01 0.00 -3.00 0.00 0.00 29.16 26.41 2dkl h TRP 19 CO -0.43 0.48 0.08 0.82 -1.28 0.00 0.00 178.44 178.10 2dkl h ILE 20 N 0.68 1.16 -0.78 0.12 2.04 -1.19 -2.95 117.51 116.59 2dkl h ILE 20 Ca 0.17 -0.49 0.28 0.00 1.00 0.00 0.00 64.86 65.81 2dkl h ILE 20 Cb 0.05 1.13 -0.14 0.00 -0.74 0.00 0.00 36.82 37.12 2dkl h ILE 20 CO -0.03 0.16 0.24 0.80 0.00 0.00 0.00 178.15 179.32 2dkl n MET 21 N -4.83 -0.05 -0.03 2.37 1.56 -0.07 0.16 117.12 116.22 2dkl n MET 21 Ca -0.04 1.12 -0.09 0.00 -0.27 0.00 0.00 57.70 58.42 2dkl n MET 21 Cb 0.12 -1.90 -0.03 0.00 2.15 0.00 0.00 33.22 33.56 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 -0.11 -0.98 6.12 0.02 -1.63 -2.72 113.55 114.25 2dkl h SER 22 Ca 0.58 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.69 2dkl h SER 22 Cb 1.40 0.08 -0.14 0.00 0.14 0.00 0.00 62.40 63.89 2dkl h SER 22 CO -0.66 -0.03 -0.49 0.54 -1.14 0.00 0.00 176.83 175.05 2dkl n ARG 23 N -5.15 -0.34 -0.33 3.45 1.74 0.41 0.92 116.66 117.37 2dkl n ARG 23 Ca -0.03 1.49 0.03 0.00 -0.77 0.00 0.00 57.85 58.57 2dkl n ARG 23 Cb 0.10 -2.21 0.21 0.00 -1.02 0.00 0.00 32.46 29.54 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 0.97 0.63 0.55 3.38 -1.51 -2.84 115.31 116.50 2dkl h LEU 24 Ca 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2dkl h LEU 24 Cb 0.49 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.04 2dkl h LEU 24 CO -0.95 0.63 -0.30 0.40 0.09 0.00 0.00 178.44 178.32 2dkl h ILE 25 N 1.11 0.36 -0.78 1.22 1.08 0.84 -3.18 117.51 118.17 2dkl h ILE 25 Ca 0.40 -0.09 0.07 0.00 -0.39 0.00 0.00 64.86 64.85 2dkl h ILE 25 Cb 0.15 0.39 -0.09 0.00 -3.07 0.00 0.00 36.82 34.20 2dkl h ILE 25 CO -0.15 0.01 -0.45 1.17 -0.69 0.00 0.00 178.15 178.04 2dkl n LYS 26 N -5.43 -0.34 -0.33 2.37 0.00 0.45 0.15 118.16 115.04 2dkl n LYS 26 Ca -0.13 1.17 0.21 0.00 0.00 0.00 0.00 58.31 59.56 2dkl n LYS 26 Cb 0.35 -1.72 0.40 0.00 0.00 0.00 0.00 35.03 34.06 2dkl n LYS 26 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2dkl h GLN 27 N 0.00 0.06 0.05 1.64 1.08 -1.53 0.16 115.11 116.57 2dkl h GLN 27 Ca 0.13 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2dkl h GLN 27 Cb 0.32 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2dkl h GLN 27 CO -0.73 0.04 -0.03 -0.07 -0.95 0.00 0.00 178.83 177.09 2dkl h LEU 28 N 0.06 -0.06 -1.79 1.46 4.07 0.13 -3.09 115.31 116.09 2dkl h LEU 28 Ca 0.68 -0.58 0.05 0.00 0.08 0.00 0.00 57.88 58.11 2dkl h LEU 28 Cb 1.57 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 43.32 2dkl h LEU 28 CO -0.81 0.61 0.46 0.71 -1.08 0.00 0.00 178.44 178.32 2dkl h THR 29 N -0.79 0.11 0.00 0.22 1.35 0.15 0.82 112.91 114.78 2dkl h THR 29 Ca -0.01 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.72 2dkl h THR 29 Cb 0.64 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 2dkl h THR 29 CO 0.01 0.00 -0.95 -0.78 -0.25 0.00 0.00 175.52 173.55 2dkl h ASP 30 N 0.00 0.00 0.03 5.36 3.58 -0.77 -3.39 116.42 121.23 2dkl h ASP 30 Ca 0.08 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 2dkl h ASP 30 Cb 0.99 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.04 2dkl h ASP 30 CO -0.00 0.54 -0.01 0.24 -2.88 0.00 0.00 179.24 177.13 2dkl h MET 31 N 0.00 -0.04 0.00 0.28 2.86 0.75 -3.48 114.93 115.30 2dkl h MET 31 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2dkl h MET 31 Cb 1.48 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.15 2dkl h MET 31 CO 0.06 -0.03 0.00 0.41 1.06 0.00 0.00 176.91 178.41 2dkl n GLY 32 N 1.02 0.00 3.11 8.32 0.00 -1.05 -5.13 105.19 111.47 2dkl n GLY 32 Ca -0.00 0.00 -0.18 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 1.07 1.22 1.61 0.08 -1.23 -5.07 117.98 115.66 2dkl s PHE 33 Ca 0.00 -0.35 -0.20 0.00 0.12 0.00 0.00 56.93 56.50 2dkl s PHE 33 Cb 0.00 -0.63 0.30 0.00 -0.57 0.00 0.00 43.02 42.11 2dkl s PHE 33 CO 0.00 0.01 1.11 -1.25 -0.10 0.00 0.00 175.22 174.99 2dkl s PRO 34 N -1.13 -1.37 0.07 0.24 0.04 -1.26 -3.58 135.00 128.01 2dkl s PRO 34 Ca -0.00 -0.12 0.17 0.00 0.04 0.00 0.00 61.00 61.08 2dkl s PRO 34 Cb -0.08 -1.58 -0.13 0.00 0.04 0.00 0.00 34.50 32.75 2dkl s PRO 34 CO 0.01 -3.80 0.85 0.07 0.04 0.00 0.00 177.00 174.17 2dkl h ARG 35 N -2.64 0.00 -0.16 4.56 -0.00 -1.97 -3.28 114.38 110.89 2dkl h ARG 35 Ca -0.44 0.00 0.02 0.00 -0.00 0.00 0.00 59.98 59.56 2dkl h ARG 35 Cb 1.29 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 31.22 2dkl h ARG 35 CO 0.32 0.30 -0.28 0.93 -0.00 0.00 0.00 179.97 181.24 2dkl h GLU 36 N 0.00 -0.22 0.05 0.08 5.08 -2.00 -0.27 114.58 117.29 2dkl h GLU 36 Ca -0.16 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2dkl h GLU 36 Cb 1.58 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.88 2dkl h GLU 36 CO 0.05 -0.15 -0.02 -1.00 -1.00 0.00 0.00 179.01 176.89 2dkl h PRO 37 N -0.23 -0.06 -0.60 2.33 0.13 -1.99 -2.62 132.00 128.97 2dkl h PRO 37 Ca 0.03 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.34 2dkl h PRO 37 Cb 0.31 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 2dkl h PRO 37 CO -0.27 0.41 0.79 0.00 -0.23 0.00 0.00 178.00 178.69 2dkl h ALA 38 N 0.36 2.38 0.00 -0.56 0.00 -1.60 0.21 119.26 120.06 2dkl h ALA 38 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2dkl h ALA 38 Cb 0.50 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2dkl h ALA 38 CO 0.01 -1.10 -0.56 1.49 0.00 0.00 0.00 179.25 179.09 2dkl h GLU 39 N 0.00 0.00 -0.97 0.00 4.81 -0.94 -3.26 114.58 114.22 2dkl h GLU 39 Ca 0.28 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.66 2dkl h GLU 39 Cb 1.86 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 31.15 2dkl h GLU 39 CO -0.00 0.30 0.59 1.05 -0.73 0.00 0.00 179.01 180.22 2dkl h GLU 40 N -1.00 0.84 0.00 1.92 4.11 -0.83 -2.61 114.58 117.01 2dkl h GLU 40 Ca -0.08 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2dkl h GLU 40 Cb 0.64 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2dkl h GLU 40 CO -0.05 0.55 0.00 0.00 0.07 0.00 0.00 179.01 179.58 2dkl n ALA 41 N -2.35 -0.43 -0.26 1.06 0.00 0.61 -3.15 120.51 115.98 2dkl n ALA 41 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.69 2dkl n ALA 41 Cb 0.43 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.00 2dkl n ALA 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dkl n LEU 42 N -1.82 -0.24 -0.30 0.00 4.77 -1.16 0.15 117.00 118.42 2dkl n LEU 42 Ca 0.00 1.26 0.08 0.00 -0.03 0.00 0.00 56.01 57.32 2dkl n LEU 42 Cb 0.00 -0.39 0.19 0.00 -2.33 0.00 0.00 43.42 40.89 2dkl n LEU 42 CO 0.00 -1.22 0.79 0.11 -1.33 0.00 0.00 177.39 175.74 2dkl h LYS 43 N 0.00 0.06 0.00 3.23 1.57 -1.42 0.36 116.57 120.37 2dkl h LYS 43 Ca 0.37 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.11 2dkl h LYS 43 Cb 0.60 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 2dkl h LYS 43 CO -0.75 0.04 -1.03 1.03 -0.57 0.00 0.00 179.45 178.17 2dkl h SER 44 N 0.06 0.00 -0.47 0.86 0.87 0.14 -3.33 113.55 111.68 2dkl h SER 44 Ca 0.47 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.83 2dkl h SER 44 Cb 0.87 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.70 2dkl h SER 44 CO -0.79 0.12 0.26 0.59 -0.53 0.00 0.00 176.83 176.48 2dkl n ASN 45 N -2.75 3.41 -4.31 6.23 3.02 0.16 -4.87 115.26 116.15 2dkl n ASN 45 Ca -0.02 -2.76 -0.34 0.00 -0.03 0.00 0.00 54.58 51.43 2dkl n ASN 45 Cb 0.61 -0.66 -0.07 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.20 -0.66 -3.78 6.41 4.13 -0.29 -0.29 115.26 120.59 2dkl n ASN 46 Ca 0.27 -1.19 -0.26 0.00 1.68 0.00 0.00 54.58 55.09 2dkl n ASN 46 Cb 1.03 -2.00 0.02 0.00 -1.54 0.00 0.00 39.78 37.29 2dkl n ASN 46 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2dkl n MET 47 N -4.38 -3.01 -4.72 3.52 2.81 0.46 -4.97 117.12 106.82 2dkl n MET 47 Ca -0.14 0.49 -0.33 0.00 -1.81 0.00 0.00 57.70 55.91 2dkl n MET 47 Cb 0.60 -4.60 -0.13 0.00 -0.71 0.00 0.00 33.22 28.37 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 -4.05 4.22 -0.05 7.83 -0.87 0.61 -5.04 114.94 117.58 2dkl s ASN 48 Ca 0.17 -0.24 -0.06 0.00 -1.57 0.00 0.00 52.86 51.17 2dkl s ASN 48 Cb -0.06 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.25 39.68 2dkl s ASN 48 CO 0.85 0.22 0.27 0.25 -2.57 0.00 0.00 177.10 176.13 2dkl h LEU 49 N 6.31 -0.17 -0.75 0.60 5.85 -1.93 -1.81 115.31 123.40 2dkl h LEU 49 Ca -0.33 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.56 2dkl h LEU 49 Cb 1.19 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 42.16 2dkl h LEU 49 CO 0.56 0.19 0.24 0.44 -0.34 0.00 0.00 178.44 179.53 2dkl h ASP 50 N -0.83 0.13 0.12 1.25 3.32 -1.98 0.99 116.42 119.42 2dkl h ASP 50 Ca -0.02 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2dkl h ASP 50 Cb 0.16 0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2dkl h ASP 50 CO 0.03 0.02 -0.06 1.56 -1.72 0.00 0.00 179.24 179.08 2dkl h GLN 51 N 0.34 -0.15 0.18 3.56 1.08 -1.93 -2.80 115.11 115.39 2dkl h GLN 51 Ca 0.42 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.65 2dkl h GLN 51 Cb 0.70 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.12 2dkl h GLN 51 CO -0.47 0.10 -0.39 0.00 -0.95 0.00 0.00 178.83 177.12 2dkl h ALA 52 N 0.45 -0.72 -0.69 3.87 0.00 -0.43 -0.83 119.26 120.91 2dkl h ALA 52 Ca -0.02 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.93 2dkl h ALA 52 Cb 0.32 0.63 -0.13 0.00 0.00 0.00 0.00 17.79 18.62 2dkl h ALA 52 CO 0.03 -0.96 -0.34 0.52 0.00 0.00 0.00 179.25 178.49 2dkl h MET 53 N -0.66 -0.12 -0.62 0.00 2.86 -0.87 0.48 114.93 115.99 2dkl h MET 53 Ca 0.01 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2dkl h MET 53 Cb 0.66 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 2dkl h MET 53 CO -0.19 -0.08 0.41 1.03 1.06 0.00 0.00 176.91 179.14 2dkl h SER 54 N -0.12 0.64 -0.39 1.22 0.87 -1.19 0.25 113.55 114.83 2dkl h SER 54 Ca 0.26 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.76 2dkl h SER 54 Cb 0.56 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 2dkl h SER 54 CO -0.75 0.44 0.05 0.00 -0.53 0.00 0.00 176.83 176.04 2dkl h ALA 55 N 1.64 1.22 0.21 6.23 0.00 0.13 0.52 119.26 129.21 2dkl h ALA 55 Ca 0.25 -0.22 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 2dkl h ALA 55 Cb 0.07 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.69 2dkl h ALA 55 CO -0.07 0.52 -1.56 -0.07 0.00 0.00 0.00 179.25 178.08 2dkl h LEU 56 N 0.70 0.71 -0.15 0.00 3.38 -0.02 -3.36 115.31 116.56 2dkl h LEU 56 Ca 0.15 -0.85 -0.02 0.00 0.09 0.00 0.00 57.88 57.25 2dkl h LEU 56 Cb 0.36 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2dkl h LEU 56 CO 0.01 1.69 0.03 -0.07 0.09 0.00 0.00 178.44 180.19 2dkl h LEU 57 N 0.12 0.24 -0.98 1.67 3.38 -0.44 -3.15 115.31 116.14 2dkl h LEU 57 Ca -0.28 -0.24 0.16 0.00 0.09 0.00 0.00 57.88 57.61 2dkl h LEU 57 Cb 2.12 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 42.65 2dkl h LEU 57 CO 0.23 0.41 -0.37 -0.62 0.09 0.00 0.00 178.44 178.18 2dkl n GLU 58 N -4.81 -0.22 -0.33 1.13 -0.58 0.16 0.24 120.64 116.23 2dkl n GLU 58 Ca -0.05 1.51 0.10 0.00 -0.42 0.00 0.00 57.16 58.30 2dkl n GLU 58 Cb 0.17 -2.25 0.21 0.00 -0.57 0.00 0.00 31.44 28.99 2dkl n GLU 58 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2dkl n LYS 59 N -5.46 -0.08 -3.77 3.49 5.02 -1.19 -3.57 118.16 112.60 2dkl n LYS 59 Ca 0.10 1.42 -0.37 0.00 -2.02 0.00 0.00 58.31 57.44 2dkl n LYS 59 Cb 0.40 -2.19 -0.12 0.00 -0.02 0.00 0.00 35.03 33.10 2dkl n LYS 59 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2dkl s LYS 60 N -6.03 2.56 -0.35 1.97 2.20 0.14 -5.07 119.74 115.16 2dkl s LYS 60 Ca -0.13 -1.23 -0.28 0.00 -0.36 0.00 0.00 55.97 53.97 2dkl s LYS 60 Cb 0.26 -3.43 0.02 0.00 -1.51 0.00 0.00 37.83 33.17 2dkl s LYS 60 CO 0.72 -0.69 1.01 0.08 -0.36 0.00 0.00 175.35 176.12 2dkl s VAL 61 N 1.37 4.53 0.49 4.02 1.01 -1.23 -4.85 120.40 125.73 2dkl s VAL 61 Ca -0.02 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.47 2dkl s VAL 61 Cb -0.20 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 31.77 2dkl s VAL 61 CO 0.02 -0.53 0.01 -1.81 0.00 0.00 0.00 175.10 172.79 2dkl s ASP 62 N 1.79 3.99 -0.18 3.32 1.01 -1.26 -5.10 116.67 120.24 2dkl s ASP 62 Ca 0.42 -1.62 -0.18 0.00 0.71 0.00 0.00 52.55 51.88 2dkl s ASP 62 Cb -0.12 0.42 -0.06 0.00 1.01 0.00 0.00 42.92 44.17 2dkl s ASP 62 CO 0.18 -0.81 -0.35 0.52 0.21 0.00 0.00 175.17 174.91 2dkl n VAL 63 N -1.20 1.50 -2.52 -1.27 0.31 -1.26 -5.02 118.33 108.86 2dkl n VAL 63 Ca -0.17 0.12 -0.24 0.00 -0.01 0.00 0.00 64.34 64.04 2dkl n VAL 63 Cb 0.67 -2.33 0.04 0.00 -0.91 0.00 0.00 33.84 31.31 2dkl n VAL 63 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2dkl s ASP 64 N -5.99 5.34 0.19 4.52 1.11 -1.26 -5.11 116.67 115.47 2dkl s ASP 64 Ca -0.29 0.35 -0.23 0.00 0.18 0.00 0.00 52.55 52.56 2dkl s ASP 64 Cb 0.05 -1.27 0.06 0.00 1.07 0.00 0.00 42.92 42.82 2dkl s ASP 64 CO 0.43 -1.16 0.68 -1.59 1.18 0.00 0.00 175.17 174.71 2dkl s LYS 65 N -4.91 1.42 -0.01 8.23 0.00 -1.26 -5.09 119.74 118.11 2dkl s LYS 65 Ca 0.55 -0.64 -0.03 0.00 0.00 0.00 0.00 55.97 55.85 2dkl s LYS 65 Cb -0.10 0.57 -0.02 0.00 0.00 0.00 0.00 37.83 38.28 2dkl s LYS 65 CO 0.42 -0.63 -0.06 0.54 0.00 0.00 0.00 175.35 175.61 2dkl n ARG 66 N -0.40 0.10 -1.57 1.78 5.12 -1.26 -5.14 116.66 115.29 2dkl n ARG 66 Ca -0.11 0.04 0.03 0.00 -1.93 0.00 0.00 57.85 55.87 2dkl n ARG 66 Cb 0.63 -0.67 -0.01 0.00 -1.16 0.00 0.00 32.46 31.24 2dkl n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dkl n GLY 67 N 2.86 -3.81 3.15 -0.13 0.00 -1.26 -4.86 105.19 101.13 2dkl n GLY 67 Ca -0.07 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.88 -2.48 0.00 0.99 4.77 -1.26 -5.00 117.00 111.14 2dkl n LEU 68 Ca -0.01 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2dkl n LEU 68 Cb 0.51 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2dkl n LEU 68 CO 0.01 -2.87 0.00 0.61 -1.33 0.00 0.00 177.39 173.81 2dkl n GLY 69 N 2.58 -1.83 2.92 -0.72 0.00 -1.26 -5.17 105.19 101.72 2dkl n GLY 69 Ca 0.00 0.85 -0.11 0.00 0.00 0.00 0.00 46.02 46.76 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 0.00 0.09 -0.19 1.61 0.11 -1.26 -5.13 120.40 115.62 2dkl s VAL 70 Ca 0.00 -0.38 -0.25 0.00 -2.93 0.00 0.00 61.98 58.42 2dkl s VAL 70 Cb 0.00 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.69 2dkl s VAL 70 CO 0.00 -0.18 0.85 -0.89 -3.33 0.00 0.00 175.10 171.54 2dkl s THR 71 N -0.58 4.85 -0.08 5.04 2.01 -1.26 -5.03 115.64 120.59 2dkl s THR 71 Ca -0.06 1.65 -0.06 0.00 0.31 0.00 0.00 61.69 63.52 2dkl s THR 71 Cb -0.04 -4.14 0.03 0.00 0.01 0.00 0.00 72.50 68.35 2dkl s THR 71 CO -0.00 -0.02 0.21 -1.81 -0.69 0.00 0.00 174.62 172.31 2dkl s ASP 72 N 1.21 -0.21 -0.07 3.53 1.01 -1.26 -5.15 116.67 115.74 2dkl s ASP 72 Ca 0.38 0.42 -0.01 0.00 0.71 0.00 0.00 52.55 54.05 2dkl s ASP 72 Cb -0.16 0.40 0.03 0.00 1.01 0.00 0.00 42.92 44.19 2dkl s ASP 72 CO 0.10 -0.10 -0.01 -2.28 0.21 0.00 0.00 175.17 173.10 2dkl s HIS 73 N 0.41 0.70 0.32 4.23 2.46 -1.26 -5.14 115.29 117.01 2dkl s HIS 73 Ca -0.02 -0.19 -0.05 0.00 0.47 0.00 0.00 55.06 55.27 2dkl s HIS 73 Cb -0.04 -0.77 0.00 0.00 -0.13 0.00 0.00 32.58 31.64 2dkl s HIS 73 CO -0.02 -0.30 0.47 1.21 -2.47 0.00 0.00 174.74 173.63 2dkl s ASN 74 N 1.71 0.69 -0.12 9.88 2.47 -1.26 -5.16 114.94 123.15 2dkl s ASN 74 Ca 0.01 -1.38 0.02 0.00 0.42 0.00 0.00 52.86 51.93 2dkl s ASN 74 Cb -0.13 0.64 0.01 0.00 -1.45 0.00 0.00 41.25 40.33 2dkl s ASN 74 CO -0.04 -1.27 -0.17 -0.83 -3.72 0.00 0.00 177.10 171.07 2dkl s GLY 75 N -3.19 1.14 -0.15 1.21 0.00 -1.26 -5.03 107.32 100.04 2dkl s GLY 75 Ca 0.29 -0.85 -0.13 0.00 0.00 0.00 0.00 44.72 44.04 2dkl s GLY 75 CO 0.18 0.18 0.09 1.98 0.00 0.00 0.00 173.10 175.52 2dkl h MET 76 N 7.44 0.00 -1.24 2.90 4.05 -2.05 -3.38 114.93 122.65 2dkl h MET 76 Ca -0.32 0.00 -0.69 0.00 -0.28 0.00 0.00 59.70 58.41 2dkl h MET 76 Cb 1.18 0.00 -0.29 0.00 -0.80 0.00 0.00 31.60 31.68 2dkl h MET 76 CO 0.51 0.38 0.82 0.00 0.23 0.00 0.00 176.91 178.85 2dkl n ALA 77 N -3.25 6.31 -1.53 0.39 0.00 -1.26 -4.98 120.51 116.20 2dkl n ALA 77 Ca -0.12 -3.66 -0.32 0.00 0.00 0.00 0.00 53.44 49.34 2dkl n ALA 77 Cb 0.33 -1.74 -0.10 0.00 0.00 0.00 0.00 19.45 17.94 2dkl n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkl n ALA 78 N -0.81 0.60 -2.61 0.00 0.00 -1.26 -4.84 120.51 111.58 2dkl n ALA 78 Ca 0.60 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 2dkl n ALA 78 Cb 0.57 -2.80 -0.08 0.00 0.00 0.00 0.00 19.45 17.15 2dkl n ALA 78 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2dkl s LYS 79 N 8.45 1.41 0.36 0.00 -0.14 -1.26 -5.17 119.74 123.39 2dkl s LYS 79 Ca 1.15 -1.53 0.09 0.00 -1.36 0.00 0.00 55.97 54.32 2dkl s LYS 79 Cb -0.63 0.36 -0.06 0.00 -1.68 0.00 0.00 37.83 35.82 2dkl s LYS 79 CO 0.35 -0.53 0.01 -1.12 -0.76 0.00 0.00 175.35 173.31 2dkl s SER 80 N -3.13 4.07 -0.82 2.83 0.01 -1.26 -5.09 113.70 110.32 2dkl s SER 80 Ca 0.32 -1.10 -0.02 0.00 1.31 0.00 0.00 55.95 56.46 2dkl s SER 80 Cb 0.03 -0.47 0.20 0.00 0.21 0.00 0.00 66.02 66.00 2dkl s SER 80 CO 0.12 -0.30 0.68 -0.83 0.41 0.00 0.00 173.24 173.32 2dkl s GLY 81 N -3.72 2.91 0.60 3.44 0.00 -1.26 -5.07 107.32 104.23 2dkl s GLY 81 Ca 0.35 -3.68 -0.10 0.00 0.00 0.00 0.00 44.72 41.29 2dkl s GLY 81 CO 0.19 1.17 0.54 -1.55 0.00 0.00 0.00 173.10 173.44 2dkl n PRO 82 N 2.65 -2.06 -3.72 2.90 -0.04 -1.26 -5.10 135.00 128.36 2dkl n PRO 82 Ca 0.18 -0.86 -0.14 0.00 -0.04 0.00 0.00 63.50 62.64 2dkl n PRO 82 Cb 0.37 -0.80 -0.09 0.00 -0.04 0.00 0.00 33.50 32.94 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 -2.95 -0.35 0.41 3.54 0.15 -1.26 -5.18 113.70 108.06 2dkl s SER 83 Ca 0.35 0.48 0.04 0.00 0.70 0.00 0.00 55.95 57.52 2dkl s SER 83 Cb -0.03 0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 2dkl s SER 83 CO 0.27 -0.33 0.06 -0.94 1.20 0.00 0.00 173.24 173.49 2dkl s SER 84 N -0.64 3.13 0.00 5.45 1.04 -1.26 -5.35 113.70 116.07 2dkl s SER 84 Ca -0.07 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 54.82 2dkl s SER 84 Cb -0.04 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2dkl s SER 84 CO 0.03 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.12