#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 3.17 0.28 2.12 -0.21 -1.26 0.86 119.66 124.62 2kde s GLN 2 Ca 0.00 -0.68 0.07 0.00 0.02 0.00 0.00 55.36 54.77 2kde s GLN 2 Cb 0.00 -4.01 -0.03 0.00 1.00 0.00 0.00 33.01 29.97 2kde s GLN 2 CO 0.00 -1.05 0.27 0.96 -2.12 0.00 0.00 175.29 173.34 2kde s ILE 3 N 2.56 4.23 -0.12 1.08 -4.36 -0.41 -0.51 121.20 123.66 2kde s ILE 3 Ca 0.17 -1.32 0.01 0.00 -0.26 0.00 0.00 60.65 59.25 2kde s ILE 3 Cb -0.17 -3.39 -0.01 0.00 1.25 0.00 0.00 42.46 40.14 2kde s ILE 3 CO 0.15 -0.28 -0.15 -0.36 0.24 0.00 0.00 174.94 174.54 2kde s PHE 4 N -2.17 2.77 -0.24 1.37 0.08 -0.18 -0.95 117.98 118.67 2kde s PHE 4 Ca 0.36 -0.70 -0.00 0.00 0.12 0.00 0.00 56.93 56.71 2kde s PHE 4 Cb -0.07 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 2kde s PHE 4 CO 0.26 -0.24 -0.10 0.08 -0.10 0.00 0.00 175.22 175.13 2kde s VAL 5 N 0.33 2.57 0.49 -0.44 1.01 0.16 -0.88 120.40 123.65 2kde s VAL 5 Ca -0.12 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.58 2kde s VAL 5 Cb -0.16 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.84 2kde s VAL 5 CO 0.06 0.20 0.90 -0.54 0.00 0.00 0.00 175.10 175.73 2kde s LYS 6 N 1.27 3.79 0.00 2.72 -0.14 -0.05 -0.77 119.74 126.55 2kde s LYS 6 Ca -0.01 0.68 0.00 0.00 -1.36 0.00 0.00 55.97 55.28 2kde s LYS 6 Cb -0.17 -2.23 0.00 0.00 -1.68 0.00 0.00 37.83 33.75 2kde s LYS 6 CO -0.06 -0.24 0.00 0.25 -0.76 0.00 0.00 175.35 174.54 2kde n THR 7 N -1.76 0.00 -0.87 2.17 -2.24 -0.11 -1.12 114.28 110.34 2kde n THR 7 Ca 0.04 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.67 2kde n THR 7 Cb 0.54 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.97 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 6.01 -1.18 3.22 4.77 -1.26 -4.14 117.00 124.42 2kde n LEU 8 Ca 0.00 -3.18 0.03 0.00 -0.03 0.00 0.00 56.01 52.83 2kde n LEU 8 Cb 0.00 -0.77 0.01 0.00 -2.33 0.00 0.00 43.42 40.34 2kde n LEU 8 CO 0.00 0.89 0.12 0.35 -1.33 0.00 0.00 177.39 177.42 2kde n THR 9 N -0.62 0.00 -2.72 -5.08 -2.24 -1.26 -4.97 114.28 97.39 2kde n THR 9 Ca 0.46 -0.67 -0.19 0.00 -2.27 0.00 0.00 64.05 61.37 2kde n THR 9 Cb 1.43 0.84 0.02 0.00 -2.10 0.00 0.00 70.33 70.51 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 0.34 -0.39 3.12 3.38 0.00 -1.26 -4.99 105.19 105.39 2kde n GLY 10 Ca 0.04 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.34 2.33 0.05 1.61 2.36 -1.26 -4.99 119.74 114.50 2kde s LYS 11 Ca 0.17 -0.65 0.07 0.00 -2.55 0.00 0.00 55.97 53.01 2kde s LYS 11 Cb -0.08 -1.83 -0.03 0.00 -1.05 0.00 0.00 37.83 34.84 2kde s LYS 11 CO 0.21 0.12 -0.16 0.99 1.55 0.00 0.00 175.35 178.06 2kde s THR 12 N 0.45 2.96 0.01 3.43 2.01 -1.26 -0.94 115.64 122.31 2kde s THR 12 Ca -0.16 -1.17 0.07 0.00 0.31 0.00 0.00 61.69 60.74 2kde s THR 12 Cb -0.16 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 2kde s THR 12 CO 0.06 0.30 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.47 2kde s ILE 13 N -0.98 2.71 -0.39 1.82 1.01 0.05 -4.86 121.20 120.55 2kde s ILE 13 Ca 0.16 -1.09 -0.13 0.00 0.00 0.00 0.00 60.65 59.58 2kde s ILE 13 Cb -0.11 -2.10 0.02 0.00 0.01 0.00 0.00 42.46 40.29 2kde s ILE 13 CO 0.07 0.42 0.26 -0.89 0.00 0.00 0.00 174.94 174.81 2kde s THR 14 N -0.84 5.05 -0.24 2.92 2.01 -1.26 -0.67 115.64 122.61 2kde s THR 14 Ca 0.13 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 2kde s THR 14 Cb -0.10 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 2kde s THR 14 CO 0.03 -0.25 0.02 -0.76 -0.69 0.00 0.00 174.62 172.97 2kde s LEU 15 N 1.65 3.23 -1.12 4.42 1.43 -0.12 -4.89 118.68 123.27 2kde s LEU 15 Ca 0.04 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.59 2kde s LEU 15 Cb -0.19 -1.83 0.07 0.00 0.03 0.00 0.00 46.19 44.27 2kde s LEU 15 CO 0.09 -0.04 1.53 -0.70 0.23 0.00 0.00 176.35 177.45 2kde s GLU 16 N 1.54 3.76 0.00 1.70 2.12 -1.26 -1.29 118.70 125.27 2kde s GLU 16 Ca 0.06 -1.56 0.00 0.00 0.36 0.00 0.00 54.97 53.83 2kde s GLU 16 Cb -0.15 -5.37 0.00 0.00 0.26 0.00 0.00 34.13 28.87 2kde s GLU 16 CO 0.00 -2.17 0.00 1.33 -0.54 0.00 0.00 175.26 173.88 2kde n VAL 17 N 6.48 0.00 -4.31 3.70 0.24 0.25 -4.67 118.33 120.02 2kde n VAL 17 Ca 0.38 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.52 2kde n VAL 17 Cb 0.49 -0.44 -0.10 0.00 -1.47 0.00 0.00 33.84 32.31 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 0.79 1.31 0.45 7.34 8.01 -1.26 0.10 118.70 135.45 2kde s GLU 18 Ca 0.00 -1.68 0.25 0.00 0.01 0.00 0.00 54.97 53.55 2kde s GLU 18 Cb 0.00 -0.41 0.98 0.00 -4.31 0.00 0.00 34.13 30.39 2kde s GLU 18 CO 0.00 -0.18 1.85 -1.00 0.01 0.00 0.00 175.26 175.94 2kde h PRO 19 N 2.49 0.00 -0.76 0.39 0.13 -1.96 -2.78 132.00 129.50 2kde h PRO 19 Ca -0.38 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.65 2kde h PRO 19 Cb 1.23 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 2kde h PRO 19 CO 0.63 0.20 0.12 -1.13 -0.23 0.00 0.00 178.00 177.59 2kde n SER 20 N -3.38 4.34 -4.86 1.44 3.41 -1.26 -1.21 113.62 112.10 2kde n SER 20 Ca 0.00 -2.83 -0.35 0.00 -0.26 0.00 0.00 58.87 55.43 2kde n SER 20 Cb 0.41 -0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 63.63 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 -0.62 6.69 0.47 4.04 1.11 -1.05 -4.90 116.67 122.41 2kde s ASP 21 Ca 0.42 0.86 -0.17 0.00 0.18 0.00 0.00 52.55 53.83 2kde s ASP 21 Cb 0.33 -2.20 -0.09 0.00 1.07 0.00 0.00 42.92 42.03 2kde s ASP 21 CO 0.11 0.19 0.95 0.42 1.18 0.00 0.00 175.17 178.02 2kde s THR 22 N -1.35 4.52 0.30 -1.27 -4.23 -1.26 -1.33 115.64 111.03 2kde s THR 22 Ca 0.32 1.23 -0.01 0.00 -1.18 0.00 0.00 61.69 62.04 2kde s THR 22 Cb -0.15 -3.68 0.25 0.00 1.34 0.00 0.00 72.50 70.26 2kde s THR 22 CO 0.17 -0.55 1.95 0.40 -0.54 0.00 0.00 174.62 176.06 2kde h ILE 23 N 1.26 1.21 -0.50 2.99 1.08 -1.21 -1.11 117.51 121.22 2kde h ILE 23 Ca -0.47 -0.43 -0.01 0.00 -0.39 0.00 0.00 64.86 63.55 2kde h ILE 23 Cb 1.18 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 2kde h ILE 23 CO 0.62 0.21 0.26 -0.08 -0.69 0.00 0.00 178.15 178.47 2kde h GLU 24 N 1.04 0.69 -0.50 2.37 4.57 -1.79 -0.83 114.58 120.13 2kde h GLU 24 Ca 0.28 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.26 2kde h GLU 24 Cb -0.06 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 2kde h GLU 24 CO -0.05 0.52 -0.18 -0.97 -1.18 0.00 0.00 179.01 177.15 2kde h ASN 25 N 0.69 1.02 -0.47 1.04 -0.73 -1.53 -2.15 115.58 113.45 2kde h ASN 25 Ca 0.18 -0.37 -0.05 0.00 1.87 0.00 0.00 56.30 57.93 2kde h ASN 25 Cb 0.04 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.33 2kde h ASN 25 CO -0.03 1.16 0.10 0.58 -0.37 0.00 0.00 177.43 178.88 2kde h VAL 26 N 0.87 1.24 -0.85 2.57 2.07 -0.74 -1.97 116.25 119.44 2kde h VAL 26 Ca 0.12 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2kde h VAL 26 Cb 0.75 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 2kde h VAL 26 CO 0.06 0.30 0.56 0.11 0.02 0.00 0.00 177.57 178.63 2kde h LYS 27 N 0.64 1.07 -0.41 1.57 1.57 -1.03 -0.97 116.57 119.01 2kde h LYS 27 Ca 0.15 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 2kde h LYS 27 Cb 0.35 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2kde h LYS 27 CO 0.00 0.71 -0.07 0.00 -0.57 0.00 0.00 179.45 179.53 2kde h ALA 28 N 1.49 1.10 -0.12 3.86 0.00 -1.00 -1.36 119.26 123.23 2kde h ALA 28 Ca 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2kde h ALA 28 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2kde h ALA 28 CO -0.08 0.56 0.05 0.87 0.00 0.00 0.00 179.25 180.65 2kde h LYS 29 N 0.65 0.17 -0.12 0.00 1.57 -0.45 -1.90 116.57 116.50 2kde h LYS 29 Ca 0.12 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2kde h LYS 29 Cb 0.51 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2kde h LYS 29 CO 0.03 0.26 -0.10 0.82 -0.57 0.00 0.00 179.45 179.88 2kde h ILE 30 N 0.05 1.15 -0.01 1.86 2.04 -1.16 -1.57 117.51 119.86 2kde h ILE 30 Ca 0.04 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 2kde h ILE 30 Cb 0.15 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2kde h ILE 30 CO -0.00 0.20 -0.33 -0.61 0.00 0.00 0.00 178.15 177.40 2kde h GLN 31 N 0.17 0.02 0.00 2.37 -0.00 -0.67 -0.01 115.11 116.98 2kde h GLN 31 Ca 0.04 -0.01 -0.17 0.00 -0.00 0.00 0.00 58.65 58.51 2kde h GLN 31 Cb 0.30 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.75 2kde h GLN 31 CO 0.02 0.35 -0.88 -0.44 0.00 0.00 0.00 178.83 177.87 2kde h ASP 32 N 0.02 0.00 0.00 -0.69 3.32 -0.54 -2.15 116.42 116.38 2kde h ASP 32 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kde h ASP 32 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2kde h ASP 32 CO 0.04 0.74 -0.22 0.11 -1.72 0.00 0.00 179.24 178.20 2kde h LYS 33 N 0.00 0.00 -0.01 3.56 1.79 -1.05 -3.41 116.57 117.44 2kde h LYS 33 Ca -0.04 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 2kde h LYS 33 Cb 1.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.26 2kde h LYS 33 CO 0.09 0.00 -0.26 0.93 -1.08 0.00 0.00 179.45 179.13 2kde h GLU 34 N -0.78 0.20 0.00 3.15 4.39 -1.20 -3.48 114.58 116.85 2kde h GLU 34 Ca 0.00 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2kde h GLU 34 Cb 0.22 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2kde h GLU 34 CO 0.00 0.90 0.00 0.41 -1.16 0.00 0.00 179.01 179.16 2kde n GLY 35 N 0.95 1.90 3.72 -3.84 0.00 -0.81 -5.05 105.19 102.06 2kde n GLY 35 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 4.36 0.50 -0.61 1.01 -1.24 -5.01 121.20 118.21 2kde s ILE 36 Ca 0.00 -0.52 -0.22 0.00 0.00 0.00 0.00 60.65 59.91 2kde s ILE 36 Cb 0.00 -2.96 -0.06 0.00 0.01 0.00 0.00 42.46 39.45 2kde s ILE 36 CO 0.00 0.38 1.25 -2.16 0.00 0.00 0.00 174.94 174.41 2kde s PRO 37 N -1.59 3.48 0.23 2.79 0.04 -1.26 -4.03 135.00 134.66 2kde s PRO 37 Ca 0.20 1.98 0.01 0.00 0.04 0.00 0.00 61.00 63.23 2kde s PRO 37 Cb -0.12 -2.34 0.23 0.00 0.04 0.00 0.00 34.50 32.31 2kde s PRO 37 CO 0.11 -0.84 1.58 -1.00 0.04 0.00 0.00 177.00 176.89 2kde h PRO 38 N 1.79 0.43 -0.02 0.56 0.13 -1.95 -2.84 132.00 130.10 2kde h PRO 38 Ca -0.50 -0.25 0.01 0.00 -0.87 0.00 0.00 66.00 64.39 2kde h PRO 38 Cb 1.27 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2kde h PRO 38 CO 0.59 0.83 0.03 0.22 -0.23 0.00 0.00 178.00 179.44 2kde h ASP 39 N 0.34 0.00 -0.77 1.44 3.58 -1.96 -0.47 116.42 118.57 2kde h ASP 39 Ca 0.02 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.15 2kde h ASP 39 Cb 0.99 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 41.86 2kde h ASP 39 CO 0.09 0.00 0.36 0.00 -2.88 0.00 0.00 179.24 176.81 2kde n GLN 40 N -3.70 2.95 -4.35 0.28 6.02 -1.07 -4.70 117.38 112.82 2kde n GLN 40 Ca -0.02 -3.07 -0.29 0.00 -0.01 0.00 0.00 57.00 53.61 2kde n GLN 40 Cb 0.11 -2.15 -0.17 0.00 1.02 0.00 0.00 30.24 29.06 2kde n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2kde s GLN 41 N -3.13 2.27 -0.18 -1.09 -0.21 -0.19 -2.26 119.66 114.87 2kde s GLN 41 Ca 0.54 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 55.35 2kde s GLN 41 Cb 0.45 -1.97 0.01 0.00 1.00 0.00 0.00 33.01 32.50 2kde s GLN 41 CO 0.11 -0.11 -0.17 1.03 -2.12 0.00 0.00 175.29 174.03 2kde s ARG 42 N 1.12 3.07 -0.34 2.91 0.52 -0.26 -4.89 118.95 121.08 2kde s ARG 42 Ca -0.03 -0.79 -0.19 0.00 -0.52 0.00 0.00 55.73 54.20 2kde s ARG 42 Cb -0.14 -2.65 -0.01 0.00 0.52 0.00 0.00 34.95 32.68 2kde s ARG 42 CO -0.04 -0.19 0.54 -0.51 0.02 0.00 0.00 175.30 175.12 2kde s LEU 43 N 1.28 4.28 -0.20 2.53 1.43 -1.26 -0.87 118.68 125.86 2kde s LEU 43 Ca 0.04 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 2kde s LEU 43 Cb -0.13 -2.64 0.03 0.00 0.03 0.00 0.00 46.19 43.47 2kde s LEU 43 CO -0.10 -0.48 -0.18 -0.63 0.23 0.00 0.00 176.35 175.19 2kde s ILE 44 N 2.45 2.10 -0.21 -0.59 1.09 -0.01 -0.81 121.20 125.22 2kde s ILE 44 Ca 0.20 -1.07 -0.07 0.00 -1.10 0.00 0.00 60.65 58.61 2kde s ILE 44 Cb -0.15 -1.95 -0.04 0.00 -1.06 0.00 0.00 42.46 39.26 2kde s ILE 44 CO 0.13 0.43 0.06 0.12 -0.10 0.00 0.00 174.94 175.58 2kde s PHE 45 N 1.26 3.16 -1.35 3.97 5.36 -0.25 -0.91 117.98 129.22 2kde s PHE 45 Ca 0.02 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 55.84 2kde s PHE 45 Cb -0.14 -2.15 0.00 0.00 -0.34 0.00 0.00 43.02 40.39 2kde s PHE 45 CO -0.11 -0.08 0.00 0.00 -1.46 0.00 0.00 175.22 173.56 2kde n ALA 46 N 4.17 -0.48 -1.42 11.12 0.00 -1.26 -1.71 120.51 130.93 2kde n ALA 46 Ca -0.16 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2kde n ALA 46 Cb 0.52 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.56 0.61 3.07 0.00 0.00 -1.26 -5.08 105.19 101.97 2kde n GLY 47 Ca -0.15 -0.36 -0.07 0.00 0.00 0.00 0.00 46.02 45.44 2kde n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kde s LYS 48 N -2.59 0.38 0.56 1.61 1.02 -0.69 -5.12 119.74 114.91 2kde s LYS 48 Ca 0.00 0.77 -0.20 0.00 0.02 0.00 0.00 55.97 56.56 2kde s LYS 48 Cb 0.00 -0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.21 2kde s LYS 48 CO 0.00 -0.52 1.24 -1.14 -0.92 0.00 0.00 175.35 174.01 2kde s GLN 49 N 2.62 3.12 0.12 1.68 0.74 -1.26 -1.09 119.66 125.59 2kde s GLN 49 Ca 0.09 1.93 0.04 0.00 0.05 0.00 0.00 55.36 57.47 2kde s GLN 49 Cb -0.14 -2.08 -0.04 0.00 1.10 0.00 0.00 33.01 31.85 2kde s GLN 49 CO -0.16 -1.11 0.10 -0.51 -0.55 0.00 0.00 175.29 173.06 2kde s LEU 50 N -3.79 3.78 0.37 3.68 1.43 0.01 -4.90 118.68 119.27 2kde s LEU 50 Ca 0.74 -0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.60 2kde s LEU 50 Cb -0.33 -2.44 -0.09 0.00 0.03 0.00 0.00 46.19 43.36 2kde s LEU 50 CO 0.37 0.13 0.82 -1.61 0.23 0.00 0.00 176.35 176.28 2kde s GLU 51 N -2.70 4.05 0.33 1.70 0.41 -1.26 -4.80 118.70 116.43 2kde s GLU 51 Ca 0.30 0.80 0.16 0.00 -0.41 0.00 0.00 54.97 55.83 2kde s GLU 51 Cb -0.11 -2.34 0.51 0.00 -1.78 0.00 0.00 34.13 30.41 2kde s GLU 51 CO 0.22 0.06 1.66 -0.44 -0.49 0.00 0.00 175.26 176.27 2kde h ASP 52 N 2.00 0.00 0.98 -0.19 5.19 -1.99 -3.12 116.42 119.29 2kde h ASP 52 Ca -0.48 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 55.73 2kde h ASP 52 Cb 1.18 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.66 2kde h ASP 52 CO 0.64 0.46 -1.06 1.23 -3.12 0.00 0.00 179.24 177.39 2kde h GLY 53 N 2.24 0.00 -1.03 2.75 0.00 -1.97 -3.08 103.07 101.98 2kde h GLY 53 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.84 2kde h GLY 53 CO 0.06 0.00 0.30 0.50 0.00 0.00 0.00 176.54 177.40 2kde s ARG 54 N -2.75 1.63 0.00 4.80 1.81 -1.18 -4.79 118.95 118.48 2kde s ARG 54 Ca 0.00 0.66 0.00 0.00 -1.72 0.00 0.00 55.73 54.67 2kde s ARG 54 Cb 0.09 -1.87 0.00 0.00 -0.45 0.00 0.00 34.95 32.73 2kde s ARG 54 CO 0.81 -1.94 0.00 0.25 -0.68 0.00 0.00 175.30 173.74 2kde n THR 55 N -3.65 0.00 0.11 0.02 -2.24 -1.26 -1.14 114.28 106.12 2kde n THR 55 Ca 0.07 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.65 2kde n THR 55 Cb 0.56 -0.63 -0.15 0.00 -2.10 0.00 0.00 70.33 68.01 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 0.59 -1.43 3.22 3.38 -1.20 -3.30 115.31 116.56 2kde h LEU 56 Ca 0.00 -0.68 -0.06 0.00 0.09 0.00 0.00 57.88 57.24 2kde h LEU 56 Cb 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2kde h LEU 56 CO 0.00 1.54 -0.24 0.77 0.09 0.00 0.00 178.44 180.60 2kde h SER 57 N 0.10 0.07 -0.04 -0.43 4.64 -1.38 -2.25 113.55 114.25 2kde h SER 57 Ca -0.22 -0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.10 2kde h SER 57 Cb 2.06 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 64.13 2kde h SER 57 CO 0.22 0.31 0.05 0.44 -0.87 0.00 0.00 176.83 176.97 2kde h ASP 58 N 0.07 0.00 -0.59 4.97 5.19 -1.82 -0.94 116.42 123.30 2kde h ASP 58 Ca 0.01 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.17 2kde h ASP 58 Cb 0.46 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.82 2kde h ASP 58 CO 0.03 0.00 0.19 -1.22 -3.12 0.00 0.00 179.24 175.13 2kde n TYR 59 N -3.87 1.86 -2.38 4.55 4.01 -0.90 -4.92 117.16 115.51 2kde n TYR 59 Ca -0.02 -1.50 -0.13 0.00 -0.16 0.00 0.00 57.90 56.09 2kde n TYR 59 Cb 0.14 -0.63 -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 -0.87 -3.97 -4.59 7.72 2.85 -0.36 -4.89 115.26 111.15 2kde n ASN 60 Ca 0.40 0.19 -0.43 0.00 -0.11 0.00 0.00 54.58 54.64 2kde n ASN 60 Cb 1.26 -3.38 -0.03 0.00 1.24 0.00 0.00 39.78 38.86 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 -2.61 4.37 0.00 -1.44 1.01 -0.91 -5.02 121.20 116.60 2kde s ILE 61 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 60.65 61.76 2kde s ILE 61 Cb 0.00 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.97 2kde s ILE 61 CO 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 174.94 174.09 2kde n GLN 62 N 7.40 1.77 -1.24 2.79 6.02 -1.26 -4.48 117.38 128.38 2kde n GLN 62 Ca 0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.77 2kde n GLN 62 Cb 0.49 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.84 2kde n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2kde s LYS 63 N -0.01 2.19 -1.31 -1.09 -2.85 -1.26 -3.16 119.74 112.24 2kde s LYS 63 Ca 0.00 1.21 0.00 0.00 -1.00 0.00 0.00 55.97 56.18 2kde s LYS 63 Cb 0.00 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 33.88 2kde s LYS 63 CO 0.00 -1.70 0.00 0.39 0.10 0.00 0.00 175.35 174.14 2kde n GLU 64 N -3.52 -1.81 -2.78 1.78 1.02 0.33 -4.92 120.64 110.74 2kde n GLU 64 Ca 0.09 0.74 -0.41 0.00 -0.02 0.00 0.00 57.16 57.57 2kde n GLU 64 Cb 0.53 -5.22 -0.05 0.00 -0.02 0.00 0.00 31.44 26.68 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 7.47 -0.20 1.62 0.01 -1.19 -4.66 113.70 114.66 2kde s SER 65 Ca 0.00 1.76 -0.17 0.00 1.31 0.00 0.00 55.95 58.85 2kde s SER 65 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2kde s SER 65 CO 0.00 -0.01 0.44 -0.89 0.41 0.00 0.00 173.24 173.19 2kde s THR 66 N -0.24 5.17 -0.10 1.44 2.01 -1.25 -1.01 115.64 121.66 2kde s THR 66 Ca 0.44 0.79 0.03 0.00 0.31 0.00 0.00 61.69 63.26 2kde s THR 66 Cb -0.23 -3.77 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 2kde s THR 66 CO 0.29 0.23 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.47 2kde s LEU 67 N 1.42 2.22 -0.48 4.42 1.43 -0.05 -4.73 118.68 122.91 2kde s LEU 67 Ca 0.21 -0.51 -0.28 0.00 -1.03 0.00 0.00 54.13 52.52 2kde s LEU 67 Cb -0.15 -1.45 0.03 0.00 0.03 0.00 0.00 46.19 44.65 2kde s LEU 67 CO 0.09 0.16 1.07 -1.00 0.23 0.00 0.00 176.35 176.90 2kde s HIS 68 N 0.33 2.84 0.27 0.29 3.76 -0.09 -0.88 115.29 121.82 2kde s HIS 68 Ca -0.17 0.59 -0.15 0.00 -0.15 0.00 0.00 55.06 55.18 2kde s HIS 68 Cb -0.17 -4.30 -0.08 0.00 1.11 0.00 0.00 32.58 29.13 2kde s HIS 68 CO 0.08 -1.23 0.68 -1.17 -0.85 0.00 0.00 174.74 172.25 2kde s LEU 69 N 4.25 4.16 0.10 0.89 2.96 -0.28 -0.83 118.68 129.94 2kde s LEU 69 Ca 0.44 1.22 0.01 0.00 -0.22 0.00 0.00 54.13 55.59 2kde s LEU 69 Cb -0.08 -3.85 -0.04 0.00 0.50 0.00 0.00 46.19 42.72 2kde s LEU 69 CO 0.30 -0.11 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.48 2kde s VAL 70 N -1.82 0.65 -0.35 1.68 1.01 -0.05 -4.49 120.40 117.02 2kde s VAL 70 Ca 0.49 -1.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.43 2kde s VAL 70 Cb -0.12 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.54 2kde s VAL 70 CO 0.19 -0.83 0.21 -0.76 0.00 0.00 0.00 175.10 173.91 2kde s LEU 71 N -3.05 4.56 0.68 3.92 1.43 -1.26 -1.11 118.68 123.86 2kde s LEU 71 Ca 0.13 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.36 2kde s LEU 71 Cb 0.06 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2kde s LEU 71 CO -0.04 -0.31 1.06 -0.60 0.23 0.00 0.00 176.35 176.69 2kde s ARG 72 N 1.61 3.04 -0.13 1.70 3.52 -0.96 -4.97 118.95 122.76 2kde s ARG 72 Ca 0.04 0.71 -0.02 0.00 -0.13 0.00 0.00 55.73 56.33 2kde s ARG 72 Cb -0.18 -2.02 -0.02 0.00 -1.56 0.00 0.00 34.95 31.16 2kde s ARG 72 CO 0.08 -0.96 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.02 2kde s LEU 73 N -5.40 3.03 -0.35 -0.88 1.43 -1.26 -4.77 118.68 110.49 2kde s LEU 73 Ca 0.57 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.48 2kde s LEU 73 Cb -0.12 -1.70 0.19 0.00 0.03 0.00 0.00 46.19 44.58 2kde s LEU 73 CO 0.54 0.20 0.82 -0.60 0.23 0.00 0.00 176.35 177.53 2kde s ARG 74 N 0.17 0.47 0.00 1.70 3.52 -1.26 -5.08 118.95 118.48 2kde s ARG 74 Ca -0.04 0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 2kde s ARG 74 Cb -0.14 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.34 2kde s ARG 74 CO 0.04 -0.74 0.00 0.41 -0.81 0.00 0.00 175.30 174.20 2kde n GLY 75 N 4.48 0.21 0.00 8.12 0.00 -1.26 -5.11 105.19 111.63 2kde n GLY 75 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2kde n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93