#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kde s GLN 2 N 0.00 3.36 0.20 2.12 -0.21 -1.26 0.46 119.66 124.34 2kde s GLN 2 Ca 0.00 -0.21 0.07 0.00 0.02 0.00 0.00 55.36 55.24 2kde s GLN 2 Cb 0.00 -4.02 -0.04 0.00 1.00 0.00 0.00 33.01 29.96 2kde s GLN 2 CO 0.00 -1.36 0.08 0.96 -2.12 0.00 0.00 175.29 172.85 2kde s ILE 3 N 3.71 4.03 -0.08 1.08 -4.36 -0.42 -0.49 121.20 124.68 2kde s ILE 3 Ca 0.30 -1.42 0.02 0.00 -0.26 0.00 0.00 60.65 59.30 2kde s ILE 3 Cb -0.12 -3.09 -0.02 0.00 1.25 0.00 0.00 42.46 40.47 2kde s ILE 3 CO 0.20 -0.21 -0.12 -0.36 0.24 0.00 0.00 174.94 174.69 2kde s PHE 4 N -1.92 2.78 -0.27 1.37 0.40 -0.20 -0.95 117.98 119.18 2kde s PHE 4 Ca 0.30 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.38 2kde s PHE 4 Cb -0.09 -1.71 0.05 0.00 0.51 0.00 0.00 43.02 41.79 2kde s PHE 4 CO 0.21 0.10 -0.06 0.08 0.70 0.00 0.00 175.22 176.26 2kde s VAL 5 N -0.43 2.61 0.27 -0.44 1.01 0.19 -0.77 120.40 122.84 2kde s VAL 5 Ca 0.05 -1.44 -0.18 0.00 0.00 0.00 0.00 61.98 60.41 2kde s VAL 5 Cb -0.12 -2.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.69 2kde s VAL 5 CO 0.02 -0.03 0.75 -0.75 0.00 0.00 0.00 175.10 175.10 2kde s LYS 6 N 1.20 4.18 0.00 2.72 2.20 -0.09 -0.70 119.74 129.25 2kde s LYS 6 Ca -0.06 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 2kde s LYS 6 Cb -0.19 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 2kde s LYS 6 CO -0.03 0.28 0.00 0.25 -0.36 0.00 0.00 175.35 175.49 2kde n THR 7 N 0.25 0.00 -1.20 3.43 -2.24 -0.12 -1.10 114.28 113.30 2kde n THR 7 Ca 0.01 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.58 2kde n THR 7 Cb 0.52 -0.36 0.20 0.00 -2.10 0.00 0.00 70.33 68.59 2kde n THR 7 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kde n LEU 8 N 0.00 6.62 -1.18 3.22 4.77 -1.26 -4.25 117.00 124.92 2kde n LEU 8 Ca 0.00 -3.55 0.04 0.00 -0.03 0.00 0.00 56.01 52.47 2kde n LEU 8 Cb 0.00 -0.82 0.04 0.00 -2.33 0.00 0.00 43.42 40.31 2kde n LEU 8 CO 0.00 1.01 0.14 0.35 -1.33 0.00 0.00 177.39 177.56 2kde n THR 9 N -0.98 0.29 -2.69 -5.08 -2.24 -1.26 -4.97 114.28 97.35 2kde n THR 9 Ca 0.57 -1.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.07 2kde n THR 9 Cb 1.63 0.74 0.02 0.00 -2.10 0.00 0.00 70.33 70.61 2kde n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kde n GLY 10 N 0.18 -0.38 3.06 3.38 0.00 -1.26 -4.99 105.19 105.18 2kde n GLY 10 Ca 0.07 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 2kde n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kde s LYS 11 N -5.30 1.99 -0.02 1.61 2.20 -1.26 -5.01 119.74 113.94 2kde s LYS 11 Ca 0.16 -0.51 0.07 0.00 -0.36 0.00 0.00 55.97 55.33 2kde s LYS 11 Cb -0.07 -1.61 -0.02 0.00 -1.51 0.00 0.00 37.83 34.61 2kde s LYS 11 CO 0.20 0.04 -0.22 0.99 -0.36 0.00 0.00 175.35 176.00 2kde s THR 12 N 0.64 2.42 0.02 3.43 2.01 -1.26 -0.94 115.64 121.95 2kde s THR 12 Ca -0.15 -1.01 0.05 0.00 0.31 0.00 0.00 61.69 60.90 2kde s THR 12 Cb -0.16 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 2kde s THR 12 CO 0.04 0.56 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.76 2kde s ILE 13 N -0.68 3.07 -0.21 1.82 1.01 0.12 -4.87 121.20 121.46 2kde s ILE 13 Ca 0.11 -1.00 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 2kde s ILE 13 Cb -0.10 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 2kde s ILE 13 CO -0.00 0.39 0.01 -0.89 0.00 0.00 0.00 174.94 174.45 2kde s THR 14 N -0.91 3.97 -0.03 2.92 2.01 -1.26 0.55 115.64 122.89 2kde s THR 14 Ca 0.15 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 61.88 2kde s THR 14 Cb -0.11 -2.81 -0.00 0.00 0.01 0.00 0.00 72.50 69.59 2kde s THR 14 CO 0.05 0.41 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.51 2kde s LEU 15 N 1.16 1.89 -0.32 4.42 1.43 -0.12 -4.96 118.68 122.18 2kde s LEU 15 Ca 0.03 -0.25 -0.23 0.00 -1.03 0.00 0.00 54.13 52.65 2kde s LEU 15 Cb -0.14 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.37 2kde s LEU 15 CO 0.02 0.12 0.79 -1.61 0.23 0.00 0.00 176.35 175.89 2kde s GLU 16 N 0.01 3.90 0.00 1.70 2.02 -1.26 -1.30 118.70 123.77 2kde s GLU 16 Ca -0.01 0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.48 2kde s GLU 16 Cb -0.08 -3.75 0.00 0.00 0.10 0.00 0.00 34.13 30.39 2kde s GLU 16 CO 0.01 -0.73 0.00 1.33 0.02 0.00 0.00 175.26 175.88 2kde n VAL 17 N 5.62 0.00 -4.22 2.63 0.24 0.17 -4.83 118.33 117.94 2kde n VAL 17 Ca 0.03 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.21 2kde n VAL 17 Cb 0.48 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.75 2kde n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2kde s GLU 18 N 0.07 1.14 0.05 7.34 2.02 -1.26 0.10 118.70 128.17 2kde s GLU 18 Ca 0.00 -1.58 0.16 0.00 0.02 0.00 0.00 54.97 53.58 2kde s GLU 18 Cb 0.00 -0.01 0.69 0.00 0.10 0.00 0.00 34.13 34.91 2kde s GLU 18 CO 0.00 -0.26 1.51 -0.35 0.02 0.00 0.00 175.26 176.18 2kde n PRO 19 N -0.25 0.04 -0.70 0.39 -0.04 -1.26 -2.31 135.00 130.87 2kde n PRO 19 Ca -0.03 0.29 0.05 0.00 -0.04 0.00 0.00 63.50 63.77 2kde n PRO 19 Cb 0.65 -1.58 0.31 0.00 -0.04 0.00 0.00 33.50 32.84 2kde n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2kde n SER 20 N -1.65 4.54 -4.84 3.54 3.41 -1.26 -1.24 113.62 116.12 2kde n SER 20 Ca 0.03 -3.07 -0.36 0.00 -0.26 0.00 0.00 58.87 55.21 2kde n SER 20 Cb 0.18 -0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 63.45 2kde n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2kde s ASP 21 N -1.48 6.83 0.41 4.04 1.11 -0.98 -4.89 116.67 121.71 2kde s ASP 21 Ca 0.48 1.03 -0.19 0.00 0.18 0.00 0.00 52.55 54.05 2kde s ASP 21 Cb 0.39 -2.27 -0.10 0.00 1.07 0.00 0.00 42.92 42.00 2kde s ASP 21 CO 0.11 0.20 0.90 0.42 1.18 0.00 0.00 175.17 177.98 2kde s THR 22 N -1.29 4.48 0.41 -1.27 -4.23 -1.26 -1.26 115.64 111.22 2kde s THR 22 Ca 0.32 1.31 0.07 0.00 -1.18 0.00 0.00 61.69 62.21 2kde s THR 22 Cb -0.16 -3.62 0.26 0.00 1.34 0.00 0.00 72.50 70.32 2kde s THR 22 CO 0.17 -0.34 2.06 0.40 -0.54 0.00 0.00 174.62 176.37 2kde h ILE 23 N 1.79 1.11 -0.20 2.99 1.08 -1.20 -0.09 117.51 122.98 2kde h ILE 23 Ca -0.48 -0.21 -0.04 0.00 -0.39 0.00 0.00 64.86 63.74 2kde h ILE 23 Cb 1.18 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 2kde h ILE 23 CO 0.62 0.11 -0.06 -0.08 -0.69 0.00 0.00 178.15 178.05 2kde h GLU 24 N 0.56 0.31 -0.25 2.37 4.22 -1.79 -0.75 114.58 119.24 2kde h GLU 24 Ca 0.15 -0.06 -0.12 0.00 0.08 0.00 0.00 59.36 59.41 2kde h GLU 24 Cb -0.06 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2kde h GLU 24 CO -0.03 0.38 -0.30 -0.97 -2.18 0.00 0.00 179.01 175.92 2kde h ASN 25 N 0.30 0.70 -0.42 1.04 -1.24 -1.33 -2.13 115.58 112.50 2kde h ASN 25 Ca 0.07 -0.49 -0.03 0.00 0.71 0.00 0.00 56.30 56.56 2kde h ASN 25 Cb 0.30 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 2kde h ASN 25 CO 0.01 1.05 0.16 0.58 -1.29 0.00 0.00 177.43 177.94 2kde h VAL 26 N 0.36 1.20 -0.63 2.57 2.07 -0.92 -2.01 116.25 118.89 2kde h VAL 26 Ca 0.03 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2kde h VAL 26 Cb 0.87 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 2kde h VAL 26 CO 0.07 0.23 0.42 0.11 0.02 0.00 0.00 177.57 178.42 2kde h LYS 27 N 0.53 0.77 -0.58 1.57 1.57 -1.11 -1.08 116.57 118.23 2kde h LYS 27 Ca 0.14 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 2kde h LYS 27 Cb 0.20 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2kde h LYS 27 CO -0.01 0.51 0.01 0.00 -0.57 0.00 0.00 179.45 179.38 2kde h ALA 28 N 1.62 0.91 -0.53 3.86 0.00 -0.85 -1.25 119.26 123.02 2kde h ALA 28 Ca 0.25 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2kde h ALA 28 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2kde h ALA 28 CO -0.06 0.65 0.25 0.87 0.00 0.00 0.00 179.25 180.95 2kde h LYS 29 N 0.92 0.77 -0.08 0.00 1.57 -0.52 -1.87 116.57 117.37 2kde h LYS 29 Ca 0.17 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2kde h LYS 29 Cb 0.53 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2kde h LYS 29 CO 0.03 0.65 -0.29 0.82 -0.57 0.00 0.00 179.45 180.08 2kde h ILE 30 N 0.72 1.24 -0.04 1.86 2.04 -1.10 -2.20 117.51 120.03 2kde h ILE 30 Ca 0.18 -1.14 -0.09 0.00 1.00 0.00 0.00 64.86 64.81 2kde h ILE 30 Cb 0.14 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2kde h ILE 30 CO -0.02 0.34 -0.40 -0.61 0.00 0.00 0.00 178.15 177.46 2kde h GLN 31 N 0.12 0.07 0.00 2.37 -0.00 -0.55 0.11 115.11 117.24 2kde h GLN 31 Ca 0.02 -0.03 -0.13 0.00 -0.00 0.00 0.00 58.65 58.50 2kde h GLN 31 Cb 0.59 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.05 2kde h GLN 31 CO 0.04 0.47 -0.70 -0.44 0.00 0.00 0.00 178.83 178.20 2kde h ASP 32 N 0.06 0.00 0.00 -0.69 5.19 -0.81 -1.49 116.42 118.68 2kde h ASP 32 Ca 0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 2kde h ASP 32 Cb 0.74 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.24 2kde h ASP 32 CO 0.06 0.61 -0.54 0.11 -3.12 0.00 0.00 179.24 176.36 2kde h LYS 33 N 0.00 0.00 0.04 3.56 1.79 -1.12 -3.42 116.57 117.42 2kde h LYS 33 Ca -0.02 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.28 2kde h LYS 33 Cb 1.49 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.12 2kde h LYS 33 CO 0.08 0.49 -0.86 0.93 -1.08 0.00 0.00 179.45 179.00 2kde h GLU 34 N -1.00 0.07 0.00 3.15 4.39 -1.15 -3.49 114.58 116.56 2kde h GLU 34 Ca -0.11 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2kde h GLU 34 Cb 0.73 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2kde h GLU 34 CO -0.06 1.06 0.00 0.41 -1.16 0.00 0.00 179.01 179.26 2kde n GLY 35 N 1.58 1.96 3.74 -3.84 0.00 -0.56 -5.04 105.19 103.03 2kde n GLY 35 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2kde n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kde s ILE 36 N -2.00 4.48 0.46 -0.61 1.01 -1.24 -5.02 121.20 118.28 2kde s ILE 36 Ca 0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 2kde s ILE 36 Cb 0.00 -3.02 -0.07 0.00 0.01 0.00 0.00 42.46 39.37 2kde s ILE 36 CO 0.00 0.37 1.26 -2.16 0.00 0.00 0.00 174.94 174.41 2kde s PRO 37 N -1.63 3.71 0.28 2.79 0.04 -1.26 -4.09 135.00 134.83 2kde s PRO 37 Ca 0.21 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.36 2kde s PRO 37 Cb -0.12 -2.52 0.38 0.00 0.04 0.00 0.00 34.50 32.28 2kde s PRO 37 CO 0.12 -0.66 1.63 -1.00 0.04 0.00 0.00 177.00 177.13 2kde h PRO 38 N 2.18 0.08 0.00 0.56 0.13 -1.92 -2.78 132.00 130.24 2kde h PRO 38 Ca -0.50 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 2kde h PRO 38 Cb 1.26 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kde h PRO 38 CO 0.60 0.63 -0.03 -0.44 -0.23 0.00 0.00 178.00 178.53 2kde h ASP 39 N 0.06 0.00 0.68 1.44 3.32 -1.97 -1.90 116.42 118.05 2kde h ASP 39 Ca -0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.82 2kde h ASP 39 Cb 1.02 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 2kde h ASP 39 CO 0.08 0.03 -1.46 1.56 -1.72 0.00 0.00 179.24 177.73 2kde h GLN 40 N 0.00 0.00 -6.19 3.56 4.20 -1.82 -3.45 115.11 111.40 2kde h GLN 40 Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 2kde h GLN 40 Cb 0.06 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2kde h GLN 40 CO 0.00 0.46 0.97 -0.65 -0.67 0.00 0.00 178.83 178.94 2kde s GLN 41 N -2.76 4.21 -0.42 1.46 -0.21 -0.72 0.54 119.66 121.77 2kde s GLN 41 Ca -0.03 1.86 0.04 0.00 0.02 0.00 0.00 55.36 57.25 2kde s GLN 41 Cb 0.08 -3.85 0.11 0.00 1.00 0.00 0.00 33.01 30.36 2kde s GLN 41 CO 0.81 -0.76 0.14 1.03 -2.12 0.00 0.00 175.29 174.40 2kde s ARG 42 N 3.69 1.69 0.13 2.91 0.52 -0.30 -4.88 118.95 122.70 2kde s ARG 42 Ca 0.62 -2.19 -0.31 0.00 -0.52 0.00 0.00 55.73 53.32 2kde s ARG 42 Cb -0.26 -3.25 -0.08 0.00 0.52 0.00 0.00 34.95 31.88 2kde s ARG 42 CO 0.20 -1.01 1.43 -0.51 0.02 0.00 0.00 175.30 175.43 2kde s LEU 43 N 0.39 4.37 0.15 2.53 1.02 -1.26 -0.91 118.68 124.97 2kde s LEU 43 Ca 0.14 2.39 0.11 0.00 0.02 0.00 0.00 54.13 56.79 2kde s LEU 43 Cb -0.22 -3.59 -0.04 0.00 0.02 0.00 0.00 46.19 42.36 2kde s LEU 43 CO -0.05 -0.69 -0.26 -0.63 0.02 0.00 0.00 176.35 174.74 2kde s ILE 44 N 1.12 2.31 -0.25 -0.59 -1.09 -0.02 -1.09 121.20 121.59 2kde s ILE 44 Ca 0.66 -1.86 -0.26 0.00 -2.23 0.00 0.00 60.65 56.96 2kde s ILE 44 Cb -0.38 -2.06 0.08 0.00 -1.58 0.00 0.00 42.46 38.52 2kde s ILE 44 CO 0.30 0.01 0.79 0.12 -1.23 0.00 0.00 174.94 174.93 2kde s PHE 45 N -1.30 -0.70 -1.42 3.97 2.19 -0.22 -0.94 117.98 119.57 2kde s PHE 45 Ca 0.17 1.66 -0.09 0.00 0.33 0.00 0.00 56.93 59.00 2kde s PHE 45 Cb -0.09 0.31 0.05 0.00 -1.31 0.00 0.00 43.02 41.98 2kde s PHE 45 CO 0.08 -0.37 0.64 0.00 1.83 0.00 0.00 175.22 177.39 2kde n ALA 46 N 2.37 -1.08 -2.15 11.12 0.00 -1.26 -0.16 120.51 129.34 2kde n ALA 46 Ca -0.14 0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 2kde n ALA 46 Cb 0.55 -3.50 -0.03 0.00 0.00 0.00 0.00 19.45 16.47 2kde n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kde n GLY 47 N -1.39 0.17 2.98 0.00 0.00 -1.26 -4.98 105.19 100.71 2kde n GLY 47 Ca -0.03 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 2kde n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kde s LYS 48 N -4.61 0.60 0.15 1.61 2.20 0.78 -5.13 119.74 115.33 2kde s LYS 48 Ca 0.00 -0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.07 2kde s LYS 48 Cb 0.00 -0.58 -0.07 0.00 -1.51 0.00 0.00 37.83 35.67 2kde s LYS 48 CO 0.00 0.13 1.09 -1.14 -0.36 0.00 0.00 175.35 175.07 2kde s GLN 49 N -0.07 4.58 -0.07 4.03 0.74 -1.26 -1.05 119.66 126.55 2kde s GLN 49 Ca 0.01 1.68 -0.22 0.00 0.05 0.00 0.00 55.36 56.88 2kde s GLN 49 Cb -0.04 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.73 2kde s GLN 49 CO -0.00 0.04 0.66 -0.51 -0.55 0.00 0.00 175.29 174.93 2kde s LEU 50 N -0.07 4.31 0.57 3.68 1.43 -0.25 -4.93 118.68 123.43 2kde s LEU 50 Ca 0.50 1.13 -0.14 0.00 -1.03 0.00 0.00 54.13 54.58 2kde s LEU 50 Cb -0.28 -3.01 -0.06 0.00 0.03 0.00 0.00 46.19 42.87 2kde s LEU 50 CO 0.33 -0.09 1.01 -1.61 0.23 0.00 0.00 176.35 176.23 2kde s GLU 51 N 0.72 3.69 0.28 1.70 2.02 -1.26 -4.67 118.70 121.18 2kde s GLU 51 Ca 0.35 0.93 0.14 0.00 0.02 0.00 0.00 54.97 56.41 2kde s GLU 51 Cb -0.17 -2.09 0.29 0.00 0.10 0.00 0.00 34.13 32.26 2kde s GLU 51 CO 0.17 -0.49 1.55 -0.44 0.02 0.00 0.00 175.26 176.07 2kde h ASP 52 N 0.38 0.00 1.05 -0.19 5.19 -1.97 -3.17 116.42 117.71 2kde h ASP 52 Ca -0.46 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 55.77 2kde h ASP 52 Cb 1.19 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.68 2kde h ASP 52 CO 0.61 0.58 -0.89 1.23 -3.12 0.00 0.00 179.24 177.65 2kde h GLY 53 N 2.54 0.00 -1.09 2.75 0.00 -1.97 -3.06 103.07 102.23 2kde h GLY 53 Ca -0.01 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 2kde h GLY 53 CO 0.08 0.00 0.32 0.50 0.00 0.00 0.00 176.54 177.43 2kde s ARG 54 N -2.82 1.94 0.00 4.80 1.81 -1.20 -4.80 118.95 118.69 2kde s ARG 54 Ca 0.01 0.72 0.00 0.00 -1.72 0.00 0.00 55.73 54.75 2kde s ARG 54 Cb 0.10 -1.89 0.00 0.00 -0.45 0.00 0.00 34.95 32.70 2kde s ARG 54 CO 0.80 -1.74 0.00 0.25 -0.68 0.00 0.00 175.30 173.93 2kde n THR 55 N -3.53 0.00 0.09 0.02 -2.24 -1.26 -1.14 114.28 106.22 2kde n THR 55 Ca 0.07 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.72 2kde n THR 55 Cb 0.56 -0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 2kde n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2kde h LEU 56 N 0.00 0.32 -1.11 3.22 3.38 -1.28 -3.26 115.31 116.58 2kde h LEU 56 Ca 0.00 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.55 2kde h LEU 56 Cb 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2kde h LEU 56 CO 0.00 1.23 -0.41 -1.28 0.09 0.00 0.00 178.44 178.07 2kde h SER 57 N 0.07 0.08 -0.00 -0.43 0.87 -1.41 -1.89 113.55 110.84 2kde h SER 57 Ca -0.09 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2kde h SER 57 Cb 1.84 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.78 2kde h SER 57 CO 0.18 0.48 0.00 0.44 -0.53 0.00 0.00 176.83 177.40 2kde h ASP 58 N 0.07 0.00 -0.57 6.23 3.32 -1.81 -1.19 116.42 122.47 2kde h ASP 58 Ca 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 2kde h ASP 58 Cb 0.75 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.17 2kde h ASP 58 CO 0.06 0.00 0.18 -1.22 -1.72 0.00 0.00 179.24 176.53 2kde n TYR 59 N -4.03 1.84 -3.67 4.55 4.01 -1.02 -4.93 117.16 113.91 2kde n TYR 59 Ca -0.03 -1.36 -0.28 0.00 -0.16 0.00 0.00 57.90 56.07 2kde n TYR 59 Cb 0.08 -0.60 0.01 0.00 -0.31 0.00 0.00 39.34 38.53 2kde n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2kde n ASN 60 N -0.68 -4.38 -4.65 7.72 2.85 -0.45 -4.91 115.26 110.76 2kde n ASN 60 Ca 0.38 -0.62 -0.41 0.00 -0.11 0.00 0.00 54.58 53.81 2kde n ASN 60 Cb 1.23 -3.55 -0.05 0.00 1.24 0.00 0.00 39.78 38.65 2kde n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2kde s ILE 61 N -3.15 4.90 0.54 -1.44 1.01 -0.74 -5.03 121.20 117.30 2kde s ILE 61 Ca 0.55 1.43 0.05 0.00 0.00 0.00 0.00 60.65 62.68 2kde s ILE 61 Cb -0.28 -4.06 0.05 0.00 0.01 0.00 0.00 42.46 38.18 2kde s ILE 61 CO 0.68 -0.01 0.41 0.00 0.00 0.00 0.00 174.94 176.02 2kde n GLN 62 N 5.70 0.69 -0.71 2.79 6.02 -1.26 -4.57 117.38 126.04 2kde n GLN 62 Ca 0.03 -3.40 -0.32 0.00 -0.01 0.00 0.00 57.00 53.31 2kde n GLN 62 Cb 0.48 0.36 0.15 0.00 1.02 0.00 0.00 30.24 32.25 2kde n GLN 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2kde n LYS 63 N -1.78 -0.43 -2.15 -1.09 2.85 -1.26 -2.54 118.16 111.76 2kde n LYS 63 Ca -0.02 -0.07 -0.14 0.00 -1.05 0.00 0.00 58.31 57.03 2kde n LYS 63 Cb 0.62 -2.21 -0.02 0.00 -0.65 0.00 0.00 35.03 32.77 2kde n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2kde n GLU 64 N -3.45 -1.88 -2.96 -1.58 1.02 0.35 -4.92 120.64 107.22 2kde n GLU 64 Ca 0.10 0.74 -0.40 0.00 -0.02 0.00 0.00 57.16 57.58 2kde n GLU 64 Cb 0.53 -5.26 -0.05 0.00 -0.02 0.00 0.00 31.44 26.64 2kde n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kde s SER 65 N -2.09 7.17 -0.50 1.62 0.01 -1.05 -4.73 113.70 114.13 2kde s SER 65 Ca 0.00 1.41 -0.18 0.00 1.31 0.00 0.00 55.95 58.49 2kde s SER 65 Cb 0.00 -2.47 0.07 0.00 0.21 0.00 0.00 66.02 63.83 2kde s SER 65 CO 0.00 -0.05 0.57 -0.89 0.41 0.00 0.00 173.24 173.28 2kde s THR 66 N 0.29 4.96 0.49 1.44 2.01 -1.25 -1.04 115.64 122.54 2kde s THR 66 Ca 0.40 -0.67 -0.08 0.00 0.31 0.00 0.00 61.69 61.65 2kde s THR 66 Cb -0.20 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.00 2kde s THR 66 CO 0.22 -0.77 0.83 -0.76 -0.69 0.00 0.00 174.62 173.45 2kde s LEU 67 N 2.39 3.61 -0.84 4.42 1.43 0.05 -4.85 118.68 124.89 2kde s LEU 67 Ca 0.12 1.08 -0.06 0.00 -1.03 0.00 0.00 54.13 54.25 2kde s LEU 67 Cb -0.21 -4.04 0.21 0.00 0.03 0.00 0.00 46.19 42.19 2kde s LEU 67 CO 0.10 -0.58 0.73 -1.00 0.23 0.00 0.00 176.35 175.83 2kde s HIS 68 N -2.71 3.78 0.44 0.29 3.76 -0.11 -0.91 115.29 119.82 2kde s HIS 68 Ca 0.50 -2.65 -0.25 0.00 -0.15 0.00 0.00 55.06 52.51 2kde s HIS 68 Cb -0.10 -3.45 -0.08 0.00 1.11 0.00 0.00 32.58 30.05 2kde s HIS 68 CO 0.42 -0.86 1.30 -1.17 -0.85 0.00 0.00 174.74 173.59 2kde s LEU 69 N -0.63 4.12 0.25 0.89 2.96 -0.25 -0.84 118.68 125.18 2kde s LEU 69 Ca 0.23 2.64 0.07 0.00 -0.22 0.00 0.00 54.13 56.85 2kde s LEU 69 Cb -0.12 -4.01 -0.05 0.00 0.50 0.00 0.00 46.19 42.50 2kde s LEU 69 CO -0.08 -1.00 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.17 2kde s VAL 70 N -1.30 1.67 -0.30 1.68 1.01 -0.09 -4.41 120.40 118.65 2kde s VAL 70 Ca 0.60 -2.16 0.00 0.00 0.00 0.00 0.00 61.98 60.43 2kde s VAL 70 Cb -0.37 -2.30 0.06 0.00 0.00 0.00 0.00 36.38 33.77 2kde s VAL 70 CO 0.47 -0.41 -0.01 -0.76 0.00 0.00 0.00 175.10 174.39 2kde s LEU 71 N -3.39 3.98 0.48 3.92 1.43 -1.26 -1.15 118.68 122.69 2kde s LEU 71 Ca 0.27 -1.49 -0.20 0.00 -1.03 0.00 0.00 54.13 51.68 2kde s LEU 71 Cb 0.02 -1.66 -0.09 0.00 0.03 0.00 0.00 46.19 44.49 2kde s LEU 71 CO 0.10 -0.28 1.03 -0.60 0.23 0.00 0.00 176.35 176.83 2kde s ARG 72 N 1.15 3.83 0.62 1.70 3.00 0.19 -5.00 118.95 124.44 2kde s ARG 72 Ca -0.03 1.33 0.02 0.00 -1.00 0.00 0.00 55.73 56.05 2kde s ARG 72 Cb -0.20 -2.10 0.12 0.00 0.00 0.00 0.00 34.95 32.77 2kde s ARG 72 CO -0.03 -0.40 0.85 1.28 0.00 0.00 0.00 175.30 176.99 2kde n LEU 73 N -0.97 0.00 -3.64 -0.88 4.32 -1.26 -4.81 117.00 109.76 2kde n LEU 73 Ca 0.09 -1.95 -0.19 0.00 -0.02 0.00 0.00 56.01 53.94 2kde n LEU 73 Cb 0.53 -0.53 -0.16 0.00 -1.62 0.00 0.00 43.42 41.63 2kde n LEU 73 CO 0.40 -0.88 -0.27 -0.60 -1.22 0.00 0.00 177.39 174.81 2kde s ARG 74 N -4.70 0.03 0.00 3.23 3.52 -1.26 -5.03 118.95 114.73 2kde s ARG 74 Ca 0.58 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 56.54 2kde s ARG 74 Cb -0.04 -0.72 0.00 0.00 -1.56 0.00 0.00 34.95 32.64 2kde s ARG 74 CO 0.38 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 2kde n GLY 75 N 5.31 0.56 0.00 8.12 0.00 -1.26 -5.31 105.19 112.61 2kde n GLY 75 Ca -0.05 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2kde n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93