#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 4.53 0.32 1.61 0.15 -1.26 -5.09 113.70 113.96 2dkl s SER 2 Ca 0.00 -2.86 0.10 0.00 0.70 0.00 0.00 55.95 53.90 2dkl s SER 2 Cb 0.00 -1.67 -0.05 0.00 -1.71 0.00 0.00 66.02 62.58 2dkl s SER 2 CO 0.00 -0.28 -0.09 -0.55 1.20 0.00 0.00 173.24 173.53 2dkl s SER 3 N 0.05 3.90 0.00 5.45 0.15 -1.26 -5.13 113.70 116.87 2dkl s SER 3 Ca 0.16 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.78 2dkl s SER 3 Cb -0.24 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 2dkl s SER 3 CO -0.02 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2dkl n GLY 4 N -0.80 3.82 3.58 9.45 0.00 -1.26 -5.14 105.19 114.84 2dkl n GLY 4 Ca -0.05 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 2dkl n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dkl n SER 5 N 0.00 0.68 -3.93 1.61 2.88 -1.26 -5.00 113.62 108.59 2dkl n SER 5 Ca 0.00 0.92 -0.23 0.00 -1.33 0.00 0.00 58.87 58.23 2dkl n SER 5 Cb 0.00 -1.33 -0.17 0.00 -0.75 0.00 0.00 64.21 61.97 2dkl n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dkl s SER 6 N -0.96 1.45 -0.66 -3.46 1.04 -1.26 -5.05 113.70 104.80 2dkl s SER 6 Ca 0.68 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.91 2dkl s SER 6 Cb -0.50 -0.63 0.38 0.00 0.10 0.00 0.00 66.02 65.37 2dkl s SER 6 CO 0.54 -0.04 1.63 0.61 0.98 0.00 0.00 173.24 176.95 2dkl n GLY 7 N 4.17 5.75 2.48 7.32 0.00 -1.26 -4.87 105.19 118.77 2dkl n GLY 7 Ca -0.21 -2.60 -0.40 0.00 0.00 0.00 0.00 46.02 42.81 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 -0.53 4.99 0.42 -0.02 0.00 -1.26 -4.77 105.19 104.03 2dkl n GLY 8 Ca 0.48 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 2dkl n GLY 8 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2dkl h MET 9 N 4.77 -0.42 -6.54 1.61 2.86 -2.07 -3.42 114.93 111.71 2dkl h MET 9 Ca 0.72 0.03 -0.43 0.00 -2.06 0.00 0.00 59.70 57.96 2dkl h MET 9 Cb 0.32 0.10 0.03 0.00 0.06 0.00 0.00 31.60 32.11 2dkl h MET 9 CO 1.55 -0.28 -0.20 -1.59 1.06 0.00 0.00 176.91 177.45 2dkl s LYS 10 N -5.79 2.77 0.05 1.72 -2.85 -1.26 -5.10 119.74 109.28 2dkl s LYS 10 Ca -0.15 -1.11 -0.15 0.00 -1.00 0.00 0.00 55.97 53.57 2dkl s LYS 10 Cb 0.10 -2.69 -0.06 0.00 -2.06 0.00 0.00 37.83 33.11 2dkl s LYS 10 CO 0.63 -0.37 0.46 0.99 0.10 0.00 0.00 175.35 177.17 2dkl s THR 11 N -2.45 4.95 -0.05 3.79 2.01 -1.26 -5.09 115.64 117.54 2dkl s THR 11 Ca 0.55 0.85 0.01 0.00 0.31 0.00 0.00 61.69 63.42 2dkl s THR 11 Cb -0.10 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2dkl s THR 11 CO 0.34 0.48 -0.07 -0.55 -0.69 0.00 0.00 174.62 174.13 2dkl s SER 12 N -1.29 4.62 0.00 3.53 0.15 -1.26 -5.03 113.70 114.42 2dkl s SER 12 Ca 0.28 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2dkl s SER 12 Cb -0.17 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.01 2dkl s SER 12 CO 0.16 0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.56 2dkl n GLY 13 N 2.09 0.11 3.47 9.45 0.00 -1.26 -5.09 105.19 113.96 2dkl n GLY 13 Ca -0.17 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.35 2dkl n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dkl n LYS 14 N -0.68 0.32 -3.65 1.61 5.02 -1.26 -4.92 118.16 114.60 2dkl n LYS 14 Ca 0.00 0.11 -0.38 0.00 -2.02 0.00 0.00 58.31 56.02 2dkl n LYS 14 Cb 0.00 -1.32 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 2dkl n LYS 14 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2dkl s GLN 15 N -0.80 3.65 0.34 1.97 -2.07 -1.26 -5.08 119.66 116.40 2dkl s GLN 15 Ca 0.70 -0.51 0.04 0.00 -1.82 0.00 0.00 55.36 53.77 2dkl s GLN 15 Cb -0.96 -3.55 -0.07 0.00 -1.09 0.00 0.00 33.01 27.35 2dkl s GLN 15 CO 0.56 -0.28 0.04 0.34 -1.32 0.00 0.00 175.29 174.64 2dkl s ASP 16 N 1.67 2.66 0.04 12.60 2.15 -1.26 -5.06 116.67 129.47 2dkl s ASP 16 Ca 0.06 -1.37 0.17 0.00 0.43 0.00 0.00 52.55 51.85 2dkl s ASP 16 Cb -0.16 -0.15 -0.15 0.00 -0.30 0.00 0.00 42.92 42.16 2dkl s ASP 16 CO 0.07 -0.57 0.74 -0.62 -0.17 0.00 0.00 175.17 174.63 2dkl n GLU 17 N -0.73 0.63 0.12 4.34 4.71 -1.26 -4.15 120.64 124.30 2dkl n GLU 17 Ca -0.03 0.17 -0.13 0.00 -0.01 0.00 0.00 57.16 57.16 2dkl n GLU 17 Cb 0.66 -1.76 -0.07 0.00 -1.01 0.00 0.00 31.44 29.26 2dkl n GLU 17 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2dkl h ALA 18 N 1.45 -0.23 -0.43 0.62 0.00 -2.01 -2.14 119.26 116.52 2dkl h ALA 18 Ca -0.18 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.77 2dkl h ALA 18 Cb 1.58 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2dkl h ALA 18 CO 0.04 -0.64 0.30 0.11 0.00 0.00 0.00 179.25 179.06 2dkl h TRP 19 N -0.25 0.24 -0.59 0.00 5.08 -2.01 -1.15 115.95 117.27 2dkl h TRP 19 Ca -0.01 0.01 -0.09 0.00 1.08 0.00 0.00 58.89 59.87 2dkl h TRP 19 Cb 0.21 -0.08 -0.02 0.00 -3.00 0.00 0.00 29.16 26.27 2dkl h TRP 19 CO -0.09 0.12 0.01 0.82 -1.28 0.00 0.00 178.44 178.03 2dkl h ILE 20 N 0.24 1.26 -0.99 0.12 2.04 -1.56 -2.95 117.51 115.67 2dkl h ILE 20 Ca 0.20 -1.12 0.34 0.00 1.00 0.00 0.00 64.86 65.28 2dkl h ILE 20 Cb 0.47 0.79 -0.16 0.00 -0.74 0.00 0.00 36.82 37.18 2dkl h ILE 20 CO -0.04 0.41 0.49 -0.03 0.00 0.00 0.00 178.15 178.98 2dkl h MET 21 N 0.94 0.20 -0.25 2.37 4.05 -0.74 0.40 114.93 121.89 2dkl h MET 21 Ca 0.17 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.60 2dkl h MET 21 Cb 0.53 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 2dkl h MET 21 CO 0.03 0.13 0.10 1.03 0.23 0.00 0.00 176.91 178.43 2dkl h SER 22 N 0.20 0.14 -0.96 1.39 0.87 -1.62 -2.85 113.55 110.72 2dkl h SER 22 Ca 0.74 0.02 0.13 0.00 -1.23 0.00 0.00 61.79 61.45 2dkl h SER 22 Cb 1.75 -0.01 -0.14 0.00 -0.44 0.00 0.00 62.40 63.57 2dkl h SER 22 CO -0.68 0.11 -0.44 0.54 -0.53 0.00 0.00 176.83 175.84 2dkl n ARG 23 N -5.01 -0.29 -0.11 2.24 1.74 0.14 0.15 116.66 115.52 2dkl n ARG 23 Ca -0.02 1.47 0.02 0.00 -0.77 0.00 0.00 57.85 58.55 2dkl n ARG 23 Cb 0.07 -2.17 0.33 0.00 -1.02 0.00 0.00 32.46 29.67 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 0.67 0.32 0.55 3.38 -1.53 -2.90 115.31 115.80 2dkl h LEU 24 Ca 0.28 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2dkl h LEU 24 Cb 0.51 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2dkl h LEU 24 CO -0.94 0.50 -0.15 0.40 0.09 0.00 0.00 178.44 178.34 2dkl h ILE 25 N 0.79 0.70 -0.88 1.22 1.08 0.15 -3.22 117.51 117.35 2dkl h ILE 25 Ca 0.21 -0.46 0.12 0.00 -0.39 0.00 0.00 64.86 64.34 2dkl h ILE 25 Cb -0.08 0.94 -0.13 0.00 -3.07 0.00 0.00 36.82 34.48 2dkl h ILE 25 CO -0.04 0.09 -0.39 1.17 -0.69 0.00 0.00 178.15 178.28 2dkl n LYS 26 N -5.17 -0.26 -0.32 2.37 4.81 0.83 0.14 118.16 120.57 2dkl n LYS 26 Ca -0.10 1.35 0.19 0.00 -0.87 0.00 0.00 58.31 58.88 2dkl n LYS 26 Cb 0.25 -2.00 0.39 0.00 0.02 0.00 0.00 35.03 33.70 2dkl n LYS 26 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2dkl h GLN 27 N 0.00 0.27 0.01 1.64 1.08 -1.56 0.97 115.11 117.51 2dkl h GLN 27 Ca 0.26 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.35 2dkl h GLN 27 Cb 0.48 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.86 2dkl h GLN 27 CO -0.86 0.18 -0.37 -0.07 -0.95 0.00 0.00 178.83 176.76 2dkl h LEU 28 N 0.27 0.31 -2.00 1.46 4.07 0.12 -3.01 115.31 116.53 2dkl h LEU 28 Ca 0.65 -0.80 0.15 0.00 0.08 0.00 0.00 57.88 57.97 2dkl h LEU 28 Cb 1.42 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 43.05 2dkl h LEU 28 CO -0.63 1.06 0.44 0.71 -1.08 0.00 0.00 178.44 178.94 2dkl h THR 29 N -0.42 0.54 0.00 0.22 1.35 0.13 0.48 112.91 115.22 2dkl h THR 29 Ca -0.05 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.75 2dkl h THR 29 Cb 1.13 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 2dkl h THR 29 CO 0.07 0.00 -0.66 -0.78 -0.25 0.00 0.00 175.52 173.91 2dkl h ASP 30 N 0.00 0.00 0.02 5.36 1.82 -0.92 -3.39 116.42 119.30 2dkl h ASP 30 Ca 0.25 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.89 2dkl h ASP 30 Cb 1.12 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.13 2dkl h ASP 30 CO -0.00 0.27 -0.01 0.24 -1.61 0.00 0.00 179.24 178.12 2dkl h MET 31 N 0.00 -0.02 0.00 0.28 2.86 0.08 -3.48 114.93 114.65 2dkl h MET 31 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2dkl h MET 31 Cb 1.23 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.90 2dkl h MET 31 CO 0.03 -0.02 0.00 0.41 1.06 0.00 0.00 176.91 178.39 2dkl n GLY 32 N 1.11 0.00 2.92 8.32 0.00 -0.91 -5.12 105.19 111.51 2dkl n GLY 32 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.97 1.61 0.08 -1.19 -5.07 117.98 114.45 2dkl s PHE 33 Ca 0.00 -0.14 -0.12 0.00 0.12 0.00 0.00 56.93 56.79 2dkl s PHE 33 Cb 0.00 -0.05 0.17 0.00 -0.57 0.00 0.00 43.02 42.57 2dkl s PHE 33 CO 0.00 -0.07 1.09 -1.25 -0.10 0.00 0.00 175.22 174.90 2dkl s PRO 34 N -0.46 0.66 0.15 0.24 0.04 -1.26 -3.50 135.00 130.87 2dkl s PRO 34 Ca -0.05 0.61 0.03 0.00 0.04 0.00 0.00 61.00 61.62 2dkl s PRO 34 Cb -0.03 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.70 2dkl s PRO 34 CO -0.00 -2.60 1.35 0.07 0.04 0.00 0.00 177.00 175.86 2dkl h ARG 35 N -1.80 0.17 -0.51 4.56 0.11 -1.97 -3.11 114.38 111.82 2dkl h ARG 35 Ca -0.53 -0.20 0.05 0.00 0.10 0.00 0.00 59.98 59.40 2dkl h ARG 35 Cb 1.32 0.06 -0.06 0.00 1.11 0.00 0.00 29.97 32.40 2dkl h ARG 35 CO 0.57 0.97 -0.31 0.93 0.10 0.00 0.00 179.97 182.23 2dkl h GLU 36 N 0.08 -0.00 0.05 0.08 5.08 -2.00 0.98 114.58 118.85 2dkl h GLU 36 Ca -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2dkl h GLU 36 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 2dkl h GLU 36 CO 0.14 -0.00 -0.02 -1.00 -1.00 0.00 0.00 179.01 177.12 2dkl h PRO 37 N -0.00 -0.07 -0.25 2.33 0.13 -1.98 -2.75 132.00 129.41 2dkl h PRO 37 Ca 0.08 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.29 2dkl h PRO 37 Cb 0.22 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 2dkl h PRO 37 CO -0.48 0.39 0.72 0.00 -0.23 0.00 0.00 178.00 178.40 2dkl h ALA 38 N 0.35 1.97 0.00 -0.56 0.00 -1.40 0.30 119.26 119.92 2dkl h ALA 38 Ca -0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 2dkl h ALA 38 Cb 0.49 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2dkl h ALA 38 CO 0.01 -0.85 -1.14 1.49 0.00 0.00 0.00 179.25 178.75 2dkl h GLU 39 N 0.00 0.00 -0.17 0.00 4.22 -0.70 -3.25 114.58 114.68 2dkl h GLU 39 Ca 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.56 2dkl h GLU 39 Cb 1.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 2dkl h GLU 39 CO -0.00 0.85 0.11 1.05 -2.18 0.00 0.00 179.01 178.84 2dkl h GLU 40 N -1.00 0.24 0.51 1.92 4.11 -0.62 -2.82 114.58 116.91 2dkl h GLU 40 Ca -0.30 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.09 2dkl h GLU 40 Cb 1.19 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2dkl h GLU 40 CO -0.18 0.19 -0.37 0.00 0.07 0.00 0.00 179.01 178.72 2dkl h ALA 41 N 1.03 -1.13 -0.93 1.06 0.00 -0.73 -2.84 119.26 115.72 2dkl h ALA 41 Ca 0.06 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.00 2dkl h ALA 41 Cb 0.02 0.54 -0.18 0.00 0.00 0.00 0.00 17.79 18.17 2dkl h ALA 41 CO -0.01 -1.12 -0.20 1.28 0.00 0.00 0.00 179.25 179.19 2dkl n LEU 42 N -4.71 -0.31 -0.33 0.00 4.77 -1.22 0.17 117.00 115.37 2dkl n LEU 42 Ca -0.10 1.59 0.15 0.00 -0.03 0.00 0.00 56.01 57.62 2dkl n LEU 42 Cb 0.37 -0.49 0.34 0.00 -2.33 0.00 0.00 43.42 41.30 2dkl n LEU 42 CO 0.23 -1.54 1.13 0.11 -1.33 0.00 0.00 177.39 175.99 2dkl h LYS 43 N 0.00 0.55 0.00 3.23 1.79 -1.25 0.59 116.57 121.48 2dkl h LYS 43 Ca 0.46 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 2dkl h LYS 43 Cb 0.73 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2dkl h LYS 43 CO -0.95 0.36 -0.53 0.43 -1.08 0.00 0.00 179.45 177.69 2dkl n SER 44 N -4.91 0.60 -2.20 0.86 7.64 0.44 -3.81 113.62 112.24 2dkl n SER 44 Ca 0.24 0.06 -0.26 0.00 1.01 0.00 0.00 58.87 59.92 2dkl n SER 44 Cb 0.66 0.11 0.16 0.00 -1.01 0.00 0.00 64.21 64.13 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 -1.90 4.63 -3.68 6.43 3.02 0.19 -4.89 115.26 119.05 2dkl n ASN 45 Ca 0.04 -3.66 -0.26 0.00 -0.03 0.00 0.00 54.58 50.67 2dkl n ASN 45 Cb 0.40 -0.86 -0.04 0.00 -0.61 0.00 0.00 39.78 38.68 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 -1.09 -2.00 -3.37 6.41 4.13 -0.91 0.27 115.26 118.70 2dkl n ASN 46 Ca 0.59 -0.54 -0.16 0.00 1.68 0.00 0.00 54.58 56.15 2dkl n ASN 46 Cb 1.40 -1.75 0.09 0.00 -1.54 0.00 0.00 39.78 37.98 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 -3.53 -5.76 -4.35 3.52 2.81 -0.01 -5.02 117.12 104.78 2dkl n MET 47 Ca 0.06 0.84 -0.27 0.00 -1.81 0.00 0.00 57.70 56.52 2dkl n MET 47 Cb 0.48 -5.82 -0.11 0.00 -0.71 0.00 0.00 33.22 27.07 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 -4.17 3.84 -0.20 7.83 3.84 0.14 -5.06 114.94 121.17 2dkl s ASN 48 Ca 0.08 -0.71 -0.13 0.00 0.21 0.00 0.00 52.86 52.31 2dkl s ASN 48 Cb -0.01 -0.49 -0.20 0.00 -0.55 0.00 0.00 41.25 40.00 2dkl s ASN 48 CO 0.72 0.12 0.12 -0.11 -2.79 0.00 0.00 177.10 175.16 2dkl n LEU 49 N 0.21 2.25 -0.10 3.21 7.94 -1.26 -2.64 117.00 126.61 2dkl n LEU 49 Ca -0.12 0.28 -0.05 0.00 -1.11 0.00 0.00 56.01 55.01 2dkl n LEU 49 Cb 0.55 -0.99 0.14 0.00 0.53 0.00 0.00 43.42 43.66 2dkl n LEU 49 CO 0.32 0.58 0.83 -0.78 -1.11 0.00 0.00 177.39 177.23 2dkl h ASP 50 N -0.55 0.76 0.20 1.96 1.82 -1.97 0.15 116.42 118.80 2dkl h ASP 50 Ca -0.46 -0.21 -0.28 0.00 -0.39 0.00 0.00 57.03 55.69 2dkl h ASP 50 Cb 1.66 -0.20 0.03 0.00 0.68 0.00 0.00 39.33 41.50 2dkl h ASP 50 CO -0.14 0.86 -1.23 1.56 -1.61 0.00 0.00 179.24 178.69 2dkl h GLN 51 N 0.72 0.48 0.01 0.28 1.08 -1.90 -3.14 115.11 112.63 2dkl h GLN 51 Ca 0.13 -0.78 -0.00 0.00 -1.45 0.00 0.00 58.65 56.54 2dkl h GLN 51 Cb 0.53 0.29 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 2dkl h GLN 51 CO 0.03 1.37 -0.01 0.00 -0.95 0.00 0.00 178.83 179.27 2dkl h ALA 52 N 0.15 -0.01 -0.08 3.87 0.00 -1.44 -2.34 119.26 119.41 2dkl h ALA 52 Ca -0.21 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.58 2dkl h ALA 52 Cb 1.96 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.70 2dkl h ALA 52 CO 0.23 -0.35 -0.36 0.52 0.00 0.00 0.00 179.25 179.29 2dkl h MET 53 N -0.34 -0.45 -0.69 0.00 2.86 -0.83 -0.41 114.93 115.07 2dkl h MET 53 Ca -0.00 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.77 2dkl h MET 53 Cb 0.33 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 2dkl h MET 53 CO 0.00 -0.30 0.46 1.03 1.06 0.00 0.00 176.91 179.16 2dkl h SER 54 N -0.47 0.47 -0.12 1.22 0.87 -1.58 0.24 113.55 114.18 2dkl h SER 54 Ca 0.08 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2dkl h SER 54 Cb 0.59 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2dkl h SER 54 CO -0.34 0.28 -0.04 0.00 -0.53 0.00 0.00 176.83 176.20 2dkl h ALA 55 N 1.65 1.47 0.13 6.23 0.00 -0.53 0.34 119.26 128.55 2dkl h ALA 55 Ca 0.32 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 54.75 2dkl h ALA 55 Cb 0.56 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2dkl h ALA 55 CO -0.11 0.38 -1.50 -0.07 0.00 0.00 0.00 179.25 177.95 2dkl h LEU 56 N 0.37 0.43 -0.07 0.00 3.38 -0.08 -3.35 115.31 115.99 2dkl h LEU 56 Ca 0.08 -0.88 -0.01 0.00 0.09 0.00 0.00 57.88 57.16 2dkl h LEU 56 Cb 0.32 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2dkl h LEU 56 CO 0.01 1.66 -0.00 -0.07 0.09 0.00 0.00 178.44 180.13 2dkl h LEU 57 N -0.21 0.12 -1.49 1.67 3.38 -0.55 -2.93 115.31 115.31 2dkl h LEU 57 Ca -0.32 -0.32 0.38 0.00 0.09 0.00 0.00 57.88 57.71 2dkl h LEU 57 Cb 1.84 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 42.45 2dkl h LEU 57 CO 0.09 0.41 0.82 1.05 0.09 0.00 0.00 178.44 180.90 2dkl h GLU 58 N -0.18 0.17 -1.14 1.13 -0.00 -0.51 0.79 114.58 114.85 2dkl h GLU 58 Ca 0.02 -0.01 -0.58 0.00 -0.00 0.00 0.00 59.36 58.79 2dkl h GLU 58 Cb 0.36 -0.04 -0.25 0.00 -0.00 0.00 0.00 28.75 28.82 2dkl h GLU 58 CO 0.00 0.11 0.75 0.36 -0.00 0.00 0.00 179.01 180.23 2dkl n LYS 59 N -4.58 2.43 -3.65 1.06 2.85 -1.11 -4.85 118.16 110.32 2dkl n LYS 59 Ca 0.32 -2.81 -0.01 0.00 -1.05 0.00 0.00 58.31 54.76 2dkl n LYS 59 Cb 1.26 -2.10 -0.06 0.00 -0.65 0.00 0.00 35.03 33.47 2dkl n LYS 59 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2dkl s LYS 60 N -3.26 0.24 -0.30 -1.58 2.47 0.28 -5.04 119.74 112.54 2dkl s LYS 60 Ca 0.55 0.38 -0.09 0.00 -1.56 0.00 0.00 55.97 55.25 2dkl s LYS 60 Cb 0.44 0.06 -0.01 0.00 -1.46 0.00 0.00 37.83 36.85 2dkl s LYS 60 CO -0.00 -0.05 0.15 0.54 0.16 0.00 0.00 175.35 176.15 2dkl s VAL 61 N 1.02 4.61 -0.29 4.02 0.11 -1.26 -4.80 120.40 123.81 2dkl s VAL 61 Ca -0.06 -0.37 -0.12 0.00 -2.93 0.00 0.00 61.98 58.49 2dkl s VAL 61 Cb -0.03 -3.33 0.12 0.00 -1.53 0.00 0.00 36.38 31.62 2dkl s VAL 61 CO -0.12 0.10 0.73 1.51 -3.33 0.00 0.00 175.10 173.98 2dkl s ASP 62 N 1.62 -0.99 -0.77 3.54 -4.77 -1.26 -5.11 116.67 108.93 2dkl s ASP 62 Ca 0.05 1.41 -0.27 0.00 -3.30 0.00 0.00 52.55 50.44 2dkl s ASP 62 Cb -0.17 1.95 0.03 0.00 -1.09 0.00 0.00 42.92 43.64 2dkl s ASP 62 CO 0.06 -0.20 1.30 -0.69 0.70 0.00 0.00 175.17 176.34 2dkl s VAL 63 N 2.46 3.74 -0.20 2.11 1.01 -1.26 -4.94 120.40 123.32 2dkl s VAL 63 Ca -0.07 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 2dkl s VAL 63 Cb -0.09 -4.93 0.10 0.00 0.00 0.00 0.00 36.38 31.46 2dkl s VAL 63 CO -0.19 -1.86 0.30 -0.62 0.00 0.00 0.00 175.10 172.73 2dkl s ASP 64 N 3.90 0.67 0.28 3.32 2.15 -1.26 -5.14 116.67 120.59 2dkl s ASP 64 Ca 0.36 0.18 -0.30 0.00 0.43 0.00 0.00 52.55 53.23 2dkl s ASP 64 Cb -0.07 0.76 -0.11 0.00 -0.30 0.00 0.00 42.92 43.20 2dkl s ASP 64 CO 0.12 -0.29 1.52 -0.75 -0.17 0.00 0.00 175.17 175.60 2dkl s LYS 65 N 2.44 4.19 0.10 4.34 2.20 -1.26 -4.97 119.74 126.78 2dkl s LYS 65 Ca 0.07 2.45 -0.29 0.00 -0.36 0.00 0.00 55.97 57.84 2dkl s LYS 65 Cb -0.15 -3.06 -0.06 0.00 -1.51 0.00 0.00 37.83 33.05 2dkl s LYS 65 CO -0.13 -0.53 0.90 1.03 -0.36 0.00 0.00 175.35 176.27 2dkl s ARG 66 N -0.50 4.65 -0.55 4.03 3.00 -1.26 -4.98 118.95 123.34 2dkl s ARG 66 Ca 0.61 1.34 0.04 0.00 0.00 0.00 0.00 55.73 57.72 2dkl s ARG 66 Cb -0.45 -3.36 0.40 0.00 0.00 0.00 0.00 34.95 31.53 2dkl s ARG 66 CO 0.46 0.26 1.28 0.41 0.00 0.00 0.00 175.30 177.72 2dkl n GLY 67 N 2.21 5.88 3.14 -3.53 0.00 -1.26 -4.95 105.19 106.69 2dkl n GLY 67 Ca 0.00 -2.71 -0.38 0.00 0.00 0.00 0.00 46.02 42.93 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 -3.65 5.53 -0.28 0.99 2.01 -1.26 -4.79 118.68 117.23 2dkl s LEU 68 Ca 0.49 -2.71 -0.07 0.00 0.01 0.00 0.00 54.13 51.85 2dkl s LEU 68 Cb 0.39 -1.92 0.01 0.00 0.01 0.00 0.00 46.19 44.67 2dkl s LEU 68 CO -0.22 -0.44 0.34 0.61 1.01 0.00 0.00 176.35 177.65 2dkl n GLY 69 N 3.74 -0.98 3.79 -3.19 0.00 -1.26 -5.02 105.19 102.27 2dkl n GLY 69 Ca 0.07 0.52 -0.37 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.15 5.32 -1.27 1.61 0.11 -1.26 -5.02 120.40 117.74 2dkl s VAL 70 Ca 0.10 0.46 -0.18 0.00 -2.93 0.00 0.00 61.98 59.44 2dkl s VAL 70 Cb -0.03 -3.56 0.09 0.00 -1.53 0.00 0.00 36.38 31.35 2dkl s VAL 70 CO 0.42 0.50 1.67 0.28 -3.33 0.00 0.00 175.10 174.63 2dkl s THR 71 N -0.25 4.26 -0.04 5.04 -1.32 -1.26 -4.92 115.64 117.14 2dkl s THR 71 Ca 0.16 -1.97 0.02 0.00 -1.21 0.00 0.00 61.69 58.69 2dkl s THR 71 Cb -0.13 -5.14 0.02 0.00 -1.51 0.00 0.00 72.50 65.73 2dkl s THR 71 CO 0.05 -1.96 -0.07 -1.81 -2.21 0.00 0.00 174.62 168.62 2dkl s ASP 72 N 4.05 1.17 0.11 8.08 1.11 -1.26 -5.12 116.67 124.80 2dkl s ASP 72 Ca 0.52 -0.18 -0.30 0.00 0.18 0.00 0.00 52.55 52.76 2dkl s ASP 72 Cb 0.03 -0.51 -0.07 0.00 1.07 0.00 0.00 42.92 43.44 2dkl s ASP 72 CO 0.06 -0.01 1.22 -1.38 1.18 0.00 0.00 175.17 176.24 2dkl s HIS 73 N 0.69 3.42 -0.06 4.23 -3.43 -1.26 -4.95 115.29 113.92 2dkl s HIS 73 Ca -0.11 1.30 -0.22 0.00 -0.80 0.00 0.00 55.06 55.23 2dkl s HIS 73 Cb -0.14 -3.45 -0.31 0.00 -1.43 0.00 0.00 32.58 27.25 2dkl s HIS 73 CO 0.01 -1.38 0.87 -2.95 -2.00 0.00 0.00 174.74 169.30 2dkl h ASN 74 N 6.29 0.42 -6.16 7.38 -1.07 -2.00 -3.49 115.58 116.95 2dkl h ASN 74 Ca -0.43 -0.96 -0.28 0.00 0.07 0.00 0.00 56.30 54.71 2dkl h ASN 74 Cb 1.21 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 37.33 2dkl h ASN 74 CO 0.80 1.36 -0.69 0.61 0.07 0.00 0.00 177.43 179.58 2dkl n GLY 75 N 1.66 -1.16 3.10 9.14 0.00 -1.26 -5.01 105.19 111.67 2dkl n GLY 75 Ca -0.14 0.65 -0.11 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.89 0.49 -0.29 1.61 0.00 -1.26 -5.06 119.30 110.89 2dkl s MET 76 Ca 0.05 -0.44 0.15 0.00 0.00 0.00 0.00 55.69 55.44 2dkl s MET 76 Cb -0.01 0.20 0.48 0.00 0.00 0.00 0.00 34.83 35.50 2dkl s MET 76 CO 0.84 -0.12 1.13 0.00 0.00 0.00 0.00 175.02 176.87 2dkl n ALA 77 N 1.39 3.85 -1.66 4.11 0.00 -1.26 -5.08 120.51 121.86 2dkl n ALA 77 Ca -0.23 -3.34 -0.49 0.00 0.00 0.00 0.00 53.44 49.39 2dkl n ALA 77 Cb 0.56 -0.63 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.59 0.62 -3.63 0.00 0.00 -1.26 -4.97 120.51 110.68 2dkl n ALA 78 Ca 0.25 0.41 -0.10 0.00 0.00 0.00 0.00 53.44 54.01 2dkl n ALA 78 Cb 0.86 -2.32 -0.09 0.00 0.00 0.00 0.00 19.45 17.90 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 1.91 0.56 -0.12 0.00 1.02 -1.26 -5.08 119.74 116.77 2dkl s LYS 79 Ca 0.85 0.95 -0.07 0.00 0.02 0.00 0.00 55.97 57.73 2dkl s LYS 79 Cb -0.78 0.10 -0.02 0.00 -0.52 0.00 0.00 37.83 36.61 2dkl s LYS 79 CO 0.46 -0.14 -0.14 1.03 -0.92 0.00 0.00 175.35 175.64 2dkl h SER 80 N 6.75 0.00 -4.32 2.83 0.87 -1.98 -3.52 113.55 114.17 2dkl h SER 80 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2dkl h SER 80 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2dkl h SER 80 CO 0.22 0.66 0.00 0.61 -0.53 0.00 0.00 176.83 177.79 2dkl n GLY 81 N 1.66 0.82 0.21 5.77 0.00 -1.26 -4.85 105.19 107.54 2dkl n GLY 81 Ca -0.05 -2.05 0.07 0.00 0.00 0.00 0.00 46.02 43.99 2dkl n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkl h PRO 82 N 7.87 0.00 -4.44 1.61 0.13 -2.01 -3.39 132.00 131.76 2dkl h PRO 82 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 2dkl h PRO 82 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 2dkl h PRO 82 CO 0.00 0.30 -0.76 -1.12 -0.23 0.00 0.00 178.00 176.19 2dkl s SER 83 N -6.42 4.29 -1.11 1.44 0.01 -1.26 -5.05 113.70 105.59 2dkl s SER 83 Ca -0.01 -1.61 -0.22 0.00 1.31 0.00 0.00 55.95 55.42 2dkl s SER 83 Cb 0.12 -1.35 -0.01 0.00 0.21 0.00 0.00 66.02 64.99 2dkl s SER 83 CO 0.66 -0.30 1.79 -0.55 0.41 0.00 0.00 173.24 175.25 2dkl s SER 84 N 1.21 5.83 0.00 2.44 0.15 -1.26 -5.09 113.70 116.98 2dkl s SER 84 Ca 0.02 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 55.07 2dkl s SER 84 Cb -0.19 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 2dkl s SER 84 CO -0.09 -2.18 0.00 0.61 1.20 0.00 0.00 173.24 172.77