#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 3.14 0.28 2.12 0.74 -1.26 0.10 119.66 124.78 2kde s GLN 2 Ca 0.00 -0.76 0.08 0.00 0.05 0.00 0.00 55.36 54.73 2kde s GLN 2 Cb 0.00 -4.02 -0.03 0.00 1.10 0.00 0.00 33.01 30.06 2kde s GLN 2 CO 0.00 -1.03 0.20 0.96 -0.55 0.00 0.00 175.29 174.87 2kde s ILE 3 N 2.43 3.95 -0.08 -2.34 -4.36 -0.37 -0.49 121.20 119.94 2kde s ILE 3 Ca 0.15 -1.48 0.03 0.00 -0.26 0.00 0.00 60.65 59.09 2kde s ILE 3 Cb -0.18 -3.24 -0.02 0.00 1.25 0.00 0.00 42.46 40.28 2kde s ILE 3 CO 0.14 -0.29 -0.18 -0.36 0.24 0.00 0.00 174.94 174.49 2kde s PHE 4 N -2.23 2.65 -0.31 1.37 0.08 -0.22 -1.03 117.98 118.29 2kde s PHE 4 Ca 0.35 -0.58 0.01 0.00 0.12 0.00 0.00 56.93 56.84 2kde s PHE 4 Cb -0.07 -1.70 0.08 0.00 -0.57 0.00 0.00 43.02 40.76 2kde s PHE 4 CO 0.25 -0.13 0.01 0.08 -0.10 0.00 0.00 175.22 175.33 2kde s VAL 5 N -0.08 2.58 0.48 -0.44 1.01 0.22 -0.82 120.40 123.35 2kde s VAL 5 Ca -0.04 -1.82 -0.20 0.00 0.00 0.00 0.00 61.98 59.92 2kde s VAL 5 Cb -0.14 -2.65 -0.08 0.00 0.00 0.00 0.00 36.38 33.50 2kde s VAL 5 CO 0.04 -0.30 1.04 -0.54 0.00 0.00 0.00 175.10 175.34 2kde s LYS 6 N 1.09 3.80 0.16 2.72 -0.14 -0.12 -0.76 119.74 126.49 2kde s LYS 6 Ca -0.00 1.36 0.01 0.00 -1.36 0.00 0.00 55.97 55.99 2kde s LYS 6 Cb -0.20 -2.10 0.01 0.00 -1.68 0.00 0.00 37.83 33.86 2kde s LYS 6 CO -0.05 -0.43 0.10 0.25 -0.76 0.00 0.00 175.35 174.47 2kde n THR 7 N -0.96 0.00 0.05 2.17 -2.24 -0.19 -1.14 114.28 111.98 2kde n THR 7 Ca 0.09 -0.64 -0.06 0.00 -2.27 0.00 0.00 64.05 61.18 2kde n THR 7 Cb 0.52 -0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.35 2kde n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2kde h LEU 8 N 0.00 0.00 -0.97 3.22 3.38 -1.86 -3.27 115.31 115.80 2kde h LEU 8 Ca -0.10 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2kde h LEU 8 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2kde h LEU 8 CO 0.16 0.91 -0.43 0.71 0.09 0.00 0.00 178.44 179.89 2kde h THR 9 N 0.00 1.06 0.00 0.22 1.35 -1.96 -3.46 112.91 110.11 2kde h THR 9 Ca -0.07 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 2kde h THR 9 Cb 1.76 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 70.11 2kde h THR 9 CO 0.11 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 2kde n GLY 10 N 0.12 0.86 3.75 5.82 0.00 -1.24 -5.11 105.19 109.40 2kde n GLY 10 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 2.77 -0.01 1.61 2.20 -1.26 -4.63 119.74 120.42 2kde s LYS 11 Ca 0.00 1.80 0.06 0.00 -0.36 0.00 0.00 55.97 57.46 2kde s LYS 11 Cb 0.00 -1.91 -0.01 0.00 -1.51 0.00 0.00 37.83 34.40 2kde s LYS 11 CO 0.00 -1.36 -0.18 0.99 -0.36 0.00 0.00 175.35 174.45 2kde s THR 12 N -1.71 1.41 -0.01 3.43 2.01 -1.26 -1.02 115.64 118.49 2kde s THR 12 Ca 0.76 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.97 2kde s THR 12 Cb -0.30 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 2kde s THR 12 CO 0.36 0.37 0.06 -0.63 -0.69 0.00 0.00 174.62 174.10 2kde s ILE 13 N -0.45 4.62 -0.23 1.82 1.01 0.06 -4.86 121.20 123.16 2kde s ILE 13 Ca 0.07 -0.43 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 2kde s ILE 13 Cb -0.07 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.31 2kde s ILE 13 CO -0.00 0.37 -0.04 -0.89 0.00 0.00 0.00 174.94 174.37 2kde s THR 14 N -1.16 3.24 -0.10 2.92 2.01 -1.26 0.69 115.64 121.97 2kde s THR 14 Ca 0.22 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.59 2kde s THR 14 Cb -0.12 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.86 2kde s THR 14 CO 0.13 0.34 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.40 2kde s LEU 15 N 1.43 2.10 -0.94 4.42 1.43 -0.19 -4.92 118.68 122.01 2kde s LEU 15 Ca 0.04 -0.56 -0.21 0.00 -1.03 0.00 0.00 54.13 52.37 2kde s LEU 15 Cb -0.15 -1.42 0.10 0.00 0.03 0.00 0.00 46.19 44.75 2kde s LEU 15 CO -0.04 0.15 1.24 -0.70 0.23 0.00 0.00 176.35 177.23 2kde s GLU 16 N 0.38 3.56 0.00 1.70 2.12 -1.26 -1.23 118.70 123.97 2kde s GLU 16 Ca -0.18 -1.45 0.00 0.00 0.36 0.00 0.00 54.97 53.71 2kde s GLU 16 Cb -0.18 -5.02 0.00 0.00 0.26 0.00 0.00 34.13 29.20 2kde s GLU 16 CO 0.08 -1.94 0.00 1.33 -0.54 0.00 0.00 175.26 174.19 2kde n VAL 17 N 6.04 0.00 -4.37 3.70 0.24 0.29 -4.67 118.33 119.55 2kde n VAL 17 Ca 0.25 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.36 2kde n VAL 17 Cb 0.50 -0.37 -0.10 0.00 -1.47 0.00 0.00 33.84 32.39 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 0.42 1.44 0.44 7.34 2.02 -1.26 0.10 118.70 129.20 2kde s GLU 18 Ca 0.00 -1.74 0.24 0.00 0.02 0.00 0.00 54.97 53.49 2kde s GLU 18 Cb 0.00 -0.77 0.92 0.00 0.10 0.00 0.00 34.13 34.38 2kde s GLU 18 CO 0.00 -0.08 1.82 -1.00 0.02 0.00 0.00 175.26 176.02 2kde h PRO 19 N 2.37 0.00 -0.69 0.39 0.13 -1.96 -2.82 132.00 129.43 2kde h PRO 19 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2kde h PRO 19 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kde h PRO 19 CO 0.66 0.21 0.00 0.43 -0.23 0.00 0.00 178.00 179.07 2kde n SER 20 N -3.37 3.59 -4.83 1.44 7.64 -1.26 -1.21 113.62 115.62 2kde n SER 20 Ca 0.00 -2.45 -0.35 0.00 1.01 0.00 0.00 58.87 57.08 2kde n SER 20 Cb 0.43 -0.55 -0.06 0.00 -1.01 0.00 0.00 64.21 63.02 2kde n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2kde s ASP 21 N -0.58 6.91 0.41 6.43 1.01 -1.06 -4.89 116.67 124.89 2kde s ASP 21 Ca 0.33 1.21 -0.15 0.00 0.71 0.00 0.00 52.55 54.65 2kde s ASP 21 Cb 0.23 -2.34 -0.08 0.00 1.01 0.00 0.00 42.92 41.74 2kde s ASP 21 CO 0.12 0.06 0.84 0.42 0.21 0.00 0.00 175.17 176.82 2kde s THR 22 N -1.52 4.64 0.34 -1.27 -4.23 -1.26 -1.23 115.64 111.11 2kde s THR 22 Ca 0.41 0.97 0.02 0.00 -1.18 0.00 0.00 61.69 61.91 2kde s THR 22 Cb -0.15 -3.68 0.27 0.00 1.34 0.00 0.00 72.50 70.28 2kde s THR 22 CO 0.20 -0.45 1.99 0.40 -0.54 0.00 0.00 174.62 176.22 2kde h ILE 23 N 1.38 1.14 -0.39 2.99 1.08 -1.22 -0.33 117.51 122.16 2kde h ILE 23 Ca -0.47 -0.30 -0.03 0.00 -0.39 0.00 0.00 64.86 63.67 2kde h ILE 23 Cb 1.18 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 35.09 2kde h ILE 23 CO 0.63 0.16 0.12 -0.08 -0.69 0.00 0.00 178.15 178.29 2kde h GLU 24 N 0.88 0.57 -0.46 2.37 4.81 -1.80 -0.91 114.58 120.03 2kde h GLU 24 Ca 0.26 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 2kde h GLU 24 Cb -0.02 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2kde h GLU 24 CO -0.07 0.50 -0.05 -0.97 -0.73 0.00 0.00 179.01 177.69 2kde h ASN 25 N 0.56 0.84 -0.59 1.04 -0.73 -1.38 -2.10 115.58 113.22 2kde h ASN 25 Ca 0.13 -0.33 -0.04 0.00 1.87 0.00 0.00 56.30 57.93 2kde h ASN 25 Cb 0.17 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.51 2kde h ASN 25 CO -0.01 0.97 0.21 0.58 -0.37 0.00 0.00 177.43 178.81 2kde h VAL 26 N 0.69 1.24 -0.88 2.57 2.07 -0.81 -1.98 116.25 119.14 2kde h VAL 26 Ca 0.12 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.90 2kde h VAL 26 Cb 0.57 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 2kde h VAL 26 CO 0.03 0.30 0.58 0.11 0.02 0.00 0.00 177.57 178.61 2kde h LYS 27 N 0.83 1.08 -0.44 1.57 1.57 -0.99 -1.05 116.57 119.14 2kde h LYS 27 Ca 0.19 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 2kde h LYS 27 Cb 0.25 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2kde h LYS 27 CO -0.01 0.72 -0.10 0.00 -0.57 0.00 0.00 179.45 179.49 2kde h ALA 28 N 1.48 1.00 -0.27 3.86 0.00 -0.90 -1.25 119.26 123.18 2kde h ALA 28 Ca 0.35 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kde h ALA 28 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2kde h ALA 28 CO -0.10 0.60 0.15 0.87 0.00 0.00 0.00 179.25 180.77 2kde h LYS 29 N 0.72 0.37 0.00 0.00 1.57 -0.49 -1.88 116.57 116.87 2kde h LYS 29 Ca 0.12 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2kde h LYS 29 Cb 0.58 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2kde h LYS 29 CO 0.04 0.33 -0.30 0.82 -0.57 0.00 0.00 179.45 179.76 2kde h ILE 30 N 0.32 1.11 0.00 1.86 2.04 -1.16 -2.17 117.51 119.52 2kde h ILE 30 Ca 0.09 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 2kde h ILE 30 Cb 0.07 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2kde h ILE 30 CO -0.01 0.30 -0.40 -0.61 0.00 0.00 0.00 178.15 177.42 2kde h GLN 31 N 0.00 0.00 0.00 2.37 4.15 -0.50 0.13 115.11 121.27 2kde h GLN 31 Ca -0.00 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.22 2kde h GLN 31 Cb 0.57 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.23 2kde h GLN 31 CO 0.04 0.40 -1.19 0.22 -1.93 0.00 0.00 178.83 176.37 2kde h ASP 32 N 0.00 0.00 0.00 -0.69 3.58 -0.80 -1.85 116.42 116.66 2kde h ASP 32 Ca -0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2kde h ASP 32 Cb 0.73 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.78 2kde h ASP 32 CO 0.05 0.78 -0.36 0.11 -2.88 0.00 0.00 179.24 176.94 2kde h LYS 33 N 0.00 0.00 0.00 0.28 1.79 -1.22 -3.38 116.57 114.04 2kde h LYS 33 Ca -0.12 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.19 2kde h LYS 33 Cb 1.70 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.33 2kde h LYS 33 CO 0.08 0.24 -0.77 0.93 -1.08 0.00 0.00 179.45 178.86 2kde h GLU 34 N -1.00 0.00 0.00 3.15 4.39 -1.17 -3.48 114.58 116.48 2kde h GLU 34 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2kde h GLU 34 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2kde h GLU 34 CO -0.03 0.77 0.00 0.41 -1.16 0.00 0.00 179.01 179.00 2kde n GLY 35 N 1.18 0.85 3.72 -3.84 0.00 -0.70 -5.04 105.19 101.36 2kde n GLY 35 Ca 0.01 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 4.37 0.49 -0.61 1.01 -1.20 -5.00 121.20 118.26 2kde s ILE 36 Ca 0.00 -0.51 -0.23 0.00 0.00 0.00 0.00 60.65 59.92 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 0.00 174.94 174.42 2kde s PRO 37 N -1.57 3.52 0.25 2.79 0.04 -1.26 -4.04 135.00 134.72 2kde s PRO 37 Ca 0.20 1.98 0.03 0.00 0.04 0.00 0.00 61.00 63.26 2kde s PRO 37 Cb -0.12 -2.37 0.30 0.00 0.04 0.00 0.00 34.50 32.36 2kde s PRO 37 CO 0.11 -0.81 1.61 -1.00 0.04 0.00 0.00 177.00 176.95 2kde h PRO 38 N 1.84 0.35 -0.00 0.56 0.13 -1.97 -2.78 132.00 130.13 2kde h PRO 38 Ca -0.50 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2kde h PRO 38 Cb 1.27 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kde h PRO 38 CO 0.59 0.76 0.00 -0.44 -0.23 0.00 0.00 178.00 178.69 2kde h ASP 39 N 0.28 0.00 -0.86 1.44 3.32 -1.97 -0.52 116.42 118.11 2kde h ASP 39 Ca 0.01 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.69 2kde h ASP 39 Cb 0.96 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.29 2kde h ASP 39 CO 0.08 0.00 0.46 0.00 -1.72 0.00 0.00 179.24 178.06 2kde n GLN 40 N -3.84 2.92 -4.44 3.56 6.02 -1.05 -4.74 117.38 115.80 2kde n GLN 40 Ca -0.03 -3.06 -0.22 0.00 -0.01 0.00 0.00 57.00 53.69 2kde n GLN 40 Cb 0.09 -2.19 -0.10 0.00 1.02 0.00 0.00 30.24 29.05 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 -3.16 1.58 -0.27 -1.09 -0.21 -0.20 -2.42 119.66 113.88 2kde s GLN 41 Ca 0.56 -1.78 -0.20 0.00 0.02 0.00 0.00 55.36 53.96 2kde s GLN 41 Cb 0.46 -1.29 0.07 0.00 1.00 0.00 0.00 33.01 33.25 2kde s GLN 41 CO 0.12 0.10 0.69 1.03 -2.12 0.00 0.00 175.29 175.10 2kde s ARG 42 N -3.68 0.75 -0.41 2.91 0.52 -0.22 -4.78 118.95 114.04 2kde s ARG 42 Ca 0.29 1.10 -0.08 0.00 -0.52 0.00 0.00 55.73 56.51 2kde s ARG 42 Cb 0.02 0.25 0.08 0.00 0.52 0.00 0.00 34.95 35.82 2kde s ARG 42 CO 0.12 -0.13 0.24 -0.51 0.02 0.00 0.00 175.30 175.05 2kde s LEU 43 N 1.05 5.09 -0.17 2.53 1.43 -1.26 -0.84 118.68 126.50 2kde s LEU 43 Ca -0.05 -1.52 -0.03 0.00 -1.03 0.00 0.00 54.13 51.50 2kde s LEU 43 Cb -0.05 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 2kde s LEU 43 CO -0.10 -0.52 -0.06 -0.63 0.23 0.00 0.00 176.35 175.27 2kde s ILE 44 N 1.40 3.57 -0.09 -0.59 1.09 -0.09 -0.82 121.20 125.67 2kde s ILE 44 Ca 0.03 -0.46 0.04 0.00 -1.10 0.00 0.00 60.65 59.16 2kde s ILE 44 Cb -0.23 -2.57 0.00 0.00 -1.06 0.00 0.00 42.46 38.60 2kde s ILE 44 CO 0.02 0.47 -0.21 0.12 -0.10 0.00 0.00 174.94 175.24 2kde s PHE 45 N 0.73 2.30 -1.27 3.97 5.36 -0.29 -0.86 117.98 127.92 2kde s PHE 45 Ca -0.03 -0.92 0.00 0.00 -0.96 0.00 0.00 56.93 55.03 2kde s PHE 45 Cb -0.15 -1.56 0.00 0.00 -0.34 0.00 0.00 43.02 40.98 2kde s PHE 45 CO 0.02 -0.38 0.00 0.00 -1.46 0.00 0.00 175.22 173.40 2kde n ALA 46 N 3.56 -0.65 -2.00 11.12 0.00 -1.26 -1.79 120.51 129.49 2kde n ALA 46 Ca -0.20 0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 2kde n ALA 46 Cb 0.53 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.75 0.46 3.38 0.00 0.00 -1.26 -5.07 105.19 101.95 2kde n GLY 47 Ca -0.16 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.93 0.48 0.12 1.61 1.02 -0.74 -5.14 119.74 113.17 2kde s LYS 48 Ca 0.00 1.16 -0.30 0.00 0.02 0.00 0.00 55.97 56.85 2kde s LYS 48 Cb -0.00 0.53 -0.07 0.00 -0.52 0.00 0.00 37.83 37.77 2kde s LYS 48 CO 0.03 -0.33 1.22 -1.14 -0.92 0.00 0.00 175.35 174.21 2kde s GLN 49 N 2.77 4.44 0.51 1.68 0.74 -1.26 -1.13 119.66 127.41 2kde s GLN 49 Ca 0.02 1.86 -0.07 0.00 0.05 0.00 0.00 55.36 57.22 2kde s GLN 49 Cb -0.13 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.66 2kde s GLN 49 CO -0.17 -0.21 0.84 -0.51 -0.55 0.00 0.00 175.29 174.69 2kde s LEU 50 N 0.48 3.55 0.14 3.68 1.43 -0.00 -4.97 118.68 123.00 2kde s LEU 50 Ca 0.57 1.05 -0.08 0.00 -1.03 0.00 0.00 54.13 54.64 2kde s LEU 50 Cb -0.32 -4.02 -0.06 0.00 0.03 0.00 0.00 46.19 41.82 2kde s LEU 50 CO 0.33 -0.63 0.43 -1.61 0.23 0.00 0.00 176.35 175.09 2kde s GLU 51 N -4.78 3.72 0.45 1.70 0.41 -1.26 -4.81 118.70 114.13 2kde s GLU 51 Ca 0.49 0.10 0.23 0.00 -0.41 0.00 0.00 54.97 55.38 2kde s GLU 51 Cb -0.10 -2.86 1.06 0.00 -1.78 0.00 0.00 34.13 30.45 2kde s GLU 51 CO 0.46 0.47 1.90 -0.44 -0.49 0.00 0.00 175.26 177.16 2kde h ASP 52 N 3.08 0.00 0.92 -0.19 5.19 -1.97 -2.85 116.42 120.59 2kde h ASP 52 Ca -0.47 0.00 -0.21 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 40.65 2kde h ASP 52 CO 0.70 0.22 -1.14 1.23 -3.12 0.00 0.00 179.24 177.13 2kde h GLY 53 N 1.52 0.00 -1.03 2.75 0.00 -1.97 -3.14 103.07 101.20 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 0.03 0.00 0.32 0.50 0.00 0.00 0.00 176.54 177.39 2kde s ARG 54 N -2.74 1.88 0.15 4.80 1.81 -1.08 -4.80 118.95 118.97 2kde s ARG 54 Ca -0.00 0.63 0.01 0.00 -1.72 0.00 0.00 55.73 54.65 2kde s ARG 54 Cb 0.09 -1.90 0.01 0.00 -0.45 0.00 0.00 34.95 32.71 2kde s ARG 54 CO 0.81 -1.76 0.11 0.25 -0.68 0.00 0.00 175.30 174.03 2kde n THR 55 N -3.52 0.00 -0.02 0.02 -2.24 -1.26 -1.13 114.28 106.12 2kde n THR 55 Ca 0.07 -0.57 -0.15 0.00 -2.27 0.00 0.00 64.05 61.13 2kde n THR 55 Cb 0.56 -0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 68.29 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 0.35 -1.94 3.22 3.38 -1.17 -3.22 115.31 115.94 2kde h LEU 56 Ca -0.09 -0.70 -0.01 0.00 0.09 0.00 0.00 57.88 57.18 2kde h LEU 56 Cb 0.33 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2kde h LEU 56 CO 0.14 1.00 -0.02 -1.28 0.09 0.00 0.00 178.44 178.37 2kde h SER 57 N -0.26 0.01 -0.02 -0.43 0.87 -1.37 -1.32 113.55 111.02 2kde h SER 57 Ca -0.03 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2kde h SER 57 Cb 1.01 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2kde h SER 57 CO 0.07 0.04 0.02 0.44 -0.53 0.00 0.00 176.83 176.87 2kde h ASP 58 N 0.02 0.00 -0.61 6.23 5.19 -1.80 -1.04 116.42 124.40 2kde h ASP 58 Ca 0.00 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.12 2kde h ASP 58 Cb 0.04 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 39.38 2kde h ASP 58 CO 0.00 0.00 0.22 -1.22 -3.12 0.00 0.00 179.24 175.12 2kde n TYR 59 N -4.02 1.92 -2.22 4.55 4.01 -0.55 -4.91 117.16 115.94 2kde n TYR 59 Ca -0.02 -1.61 -0.14 0.00 -0.16 0.00 0.00 57.90 55.97 2kde n TYR 59 Cb 0.11 -0.66 -0.02 0.00 -0.31 0.00 0.00 39.34 38.46 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 -1.00 -4.12 -4.56 7.72 2.85 -0.40 -4.87 115.26 110.87 2kde n ASN 60 Ca 0.43 0.20 -0.42 0.00 -0.11 0.00 0.00 54.58 54.68 2kde n ASN 60 Cb 1.29 -3.55 -0.03 0.00 1.24 0.00 0.00 39.78 38.74 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 -2.58 3.86 0.52 -1.44 1.01 -0.88 -5.00 121.20 116.69 2kde s ILE 61 Ca 0.00 0.63 0.03 0.00 0.00 0.00 0.00 60.65 61.30 2kde s ILE 61 Cb 0.00 -4.83 0.10 0.00 0.01 0.00 0.00 42.46 37.74 2kde s ILE 61 CO 0.00 -1.62 0.72 1.67 0.00 0.00 0.00 174.94 175.71 2kde n GLN 62 N 8.93 0.30 -0.67 2.79 7.27 -1.26 -4.40 117.38 130.33 2kde n GLN 62 Ca 0.05 -2.25 -0.31 0.00 0.07 0.00 0.00 57.00 54.57 2kde n GLN 62 Cb 0.49 -0.39 0.17 0.00 2.41 0.00 0.00 30.24 32.92 2kde n GLN 62 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2kde n LYS 63 N -2.26 -0.61 -2.06 3.69 2.85 -1.26 -2.62 118.16 115.89 2kde n LYS 63 Ca 0.13 -0.12 -0.14 0.00 -1.05 0.00 0.00 58.31 57.13 2kde n LYS 63 Cb 0.46 -2.30 -0.03 0.00 -0.65 0.00 0.00 35.03 32.51 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 -4.03 -1.81 -3.00 -1.58 1.02 0.35 -4.92 120.64 106.67 2kde n GLU 64 Ca 0.11 0.74 -0.40 0.00 -0.02 0.00 0.00 57.16 57.59 2kde n GLU 64 Cb 0.52 -5.23 -0.05 0.00 -0.02 0.00 0.00 31.44 26.66 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 -2.10 7.22 -0.16 1.62 0.01 -1.08 -4.73 113.70 114.49 2kde s SER 65 Ca 0.00 1.45 -0.16 0.00 1.31 0.00 0.00 55.95 58.55 2kde s SER 65 Cb 0.00 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2kde s SER 65 CO 0.00 0.05 0.39 -0.89 0.41 0.00 0.00 173.24 173.20 2kde s THR 66 N -0.21 5.23 -0.06 1.44 2.01 -1.25 -1.05 115.64 121.75 2kde s THR 66 Ca 0.38 0.74 0.05 0.00 0.31 0.00 0.00 61.69 63.17 2kde s THR 66 Cb -0.21 -3.73 -0.00 0.00 0.01 0.00 0.00 72.50 68.57 2kde s THR 66 CO 0.23 0.32 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.51 2kde s LEU 67 N 0.82 1.98 -0.13 4.42 1.43 0.00 -4.83 118.68 122.37 2kde s LEU 67 Ca 0.21 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.57 2kde s LEU 67 Cb -0.14 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 2kde s LEU 67 CO 0.07 0.18 1.03 -1.00 0.23 0.00 0.00 176.35 176.86 2kde s HIS 68 N 0.05 3.45 -0.44 0.29 3.76 -0.04 -0.95 115.29 121.41 2kde s HIS 68 Ca -0.07 1.54 -0.15 0.00 -0.15 0.00 0.00 55.06 56.23 2kde s HIS 68 Cb -0.14 -3.22 0.05 0.00 1.11 0.00 0.00 32.58 30.38 2kde s HIS 68 CO 0.04 -0.35 0.35 -1.17 -0.85 0.00 0.00 174.74 172.76 2kde s LEU 69 N 2.30 5.38 0.34 0.89 2.96 -0.29 -0.91 118.68 129.35 2kde s LEU 69 Ca 0.48 -1.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.25 2kde s LEU 69 Cb -0.18 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 2kde s LEU 69 CO 0.15 -0.55 0.57 -0.69 -1.32 0.00 0.00 176.35 174.51 2kde s VAL 70 N 1.66 5.07 -0.07 1.68 1.01 -0.02 -4.35 120.40 125.39 2kde s VAL 70 Ca 0.05 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2kde s VAL 70 Cb -0.22 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2kde s VAL 70 CO 0.08 -0.53 -0.17 -0.76 0.00 0.00 0.00 175.10 173.72 2kde s LEU 71 N -4.17 1.86 0.30 3.92 1.43 -1.26 -1.05 118.68 119.71 2kde s LEU 71 Ca 0.41 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 2kde s LEU 71 Cb -0.10 -1.05 -0.07 0.00 0.03 0.00 0.00 46.19 44.99 2kde s LEU 71 CO 0.36 0.11 0.65 -0.60 0.23 0.00 0.00 176.35 177.10 2kde s ARG 72 N 0.36 3.83 0.29 1.70 3.52 -1.02 -4.96 118.95 122.67 2kde s ARG 72 Ca -0.12 0.40 0.02 0.00 -0.13 0.00 0.00 55.73 55.90 2kde s ARG 72 Cb -0.15 -2.53 -0.01 0.00 -1.56 0.00 0.00 34.95 30.70 2kde s ARG 72 CO 0.05 0.18 0.09 1.28 -0.81 0.00 0.00 175.30 176.08 2kde n LEU 73 N -0.56 0.00 -4.57 -0.88 4.77 -1.26 -4.81 117.00 109.69 2kde n LEU 73 Ca 0.02 -2.16 -0.31 0.00 -0.03 0.00 0.00 56.01 53.52 2kde n LEU 73 Cb 0.53 0.65 -0.10 0.00 -2.33 0.00 0.00 43.42 42.16 2kde n LEU 73 CO 0.45 -0.33 -0.41 -0.60 -1.33 0.00 0.00 177.39 175.17 2kde s ARG 74 N -3.10 2.33 -0.02 3.23 3.52 -1.26 -5.13 118.95 118.53 2kde s ARG 74 Ca 0.12 -0.87 0.03 0.00 -0.13 0.00 0.00 55.73 54.88 2kde s ARG 74 Cb 0.01 -2.39 -0.00 0.00 -1.56 0.00 0.00 34.95 31.01 2kde s ARG 74 CO 0.09 0.56 -0.10 0.20 -0.81 0.00 0.00 175.30 175.23 2kde s GLY 75 N -1.75 0.51 0.00 8.12 0.00 -1.26 -5.36 107.32 107.59 2kde s GLY 75 Ca 0.19 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.51 2kde s GLY 75 CO 0.10 -0.24 0.00 0.61 0.00 0.00 0.00 173.10 173.57