#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd0 n GLY 2 N 0.00 -1.10 2.63 3.17 0.00 -1.26 -4.14 105.19 104.49 2kd0 n GLY 2 Ca 0.00 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 2kd0 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kd0 n HIS 3 N -0.74 3.09 -0.13 1.61 -0.00 -1.26 -4.72 115.22 113.08 2kd0 n HIS 3 Ca 0.00 -2.63 -0.11 0.00 -0.00 0.00 0.00 57.72 54.98 2kd0 n HIS 3 Cb 0.00 -1.16 -0.02 0.00 -0.00 0.00 0.00 29.99 28.81 2kd0 n HIS 3 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kd0 h HIS 4 N 2.57 0.83 -0.71 4.41 2.76 -2.05 -3.40 115.15 119.57 2kd0 h HIS 4 Ca 0.55 -0.19 -0.27 0.00 -2.20 0.00 0.00 60.37 58.27 2kd0 h HIS 4 Cb 0.44 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.16 2kd0 h HIS 4 CO 1.23 0.89 0.68 -1.58 -1.30 0.00 0.00 177.93 177.85 2kd0 s HIS 5 N -4.75 1.73 -0.14 5.26 5.65 -1.26 -4.89 115.29 116.89 2kd0 s HIS 5 Ca -0.13 0.78 -0.17 0.00 0.25 0.00 0.00 55.06 55.80 2kd0 s HIS 5 Cb 0.10 -3.98 0.04 0.00 -1.18 0.00 0.00 32.58 27.56 2kd0 s HIS 5 CO 0.81 -1.74 0.45 -3.38 -0.65 0.00 0.00 174.74 170.23 2kd0 s HIS 6 N 10.55 -0.46 -0.22 3.88 -0.00 -1.26 -5.06 115.29 122.71 2kd0 s HIS 6 Ca 0.72 1.06 0.00 0.00 -0.00 0.00 0.00 55.06 56.85 2kd0 s HIS 6 Cb -0.07 0.17 -0.20 0.00 -0.00 0.00 0.00 32.58 32.48 2kd0 s HIS 6 CO 0.01 -0.29 -0.07 0.72 -0.00 0.00 0.00 174.74 175.11 2kd0 n HIS 7 N 2.47 0.32 -3.82 0.38 8.25 -1.26 -4.87 115.22 116.69 2kd0 n HIS 7 Ca -0.15 0.07 -0.36 0.00 -0.26 0.00 0.00 57.72 57.02 2kd0 n HIS 7 Cb 0.57 -1.04 -0.13 0.00 1.12 0.00 0.00 29.99 30.50 2kd0 n HIS 7 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kd0 s HIS 8 N -2.53 3.15 0.14 4.41 0.00 -1.26 -5.09 115.29 114.10 2kd0 s HIS 8 Ca -0.31 -1.25 -0.30 0.00 -3.00 0.00 0.00 55.06 50.19 2kd0 s HIS 8 Cb 0.08 -2.20 -0.07 0.00 -4.00 0.00 0.00 32.58 26.40 2kd0 s HIS 8 CO 0.65 -0.65 1.06 -1.12 -1.00 0.00 0.00 174.74 173.68 2kd0 s SER 9 N 1.42 7.32 0.14 7.38 0.01 -1.26 -5.06 113.70 123.65 2kd0 s SER 9 Ca 0.01 1.97 0.05 0.00 1.31 0.00 0.00 55.95 59.29 2kd0 s SER 9 Cb -0.18 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.42 2kd0 s SER 9 CO 0.00 -0.21 -0.12 -1.38 0.41 0.00 0.00 173.24 171.95 2kd0 s HIS 10 N 0.04 1.36 -0.26 2.43 0.00 -1.26 -4.96 115.29 112.64 2kd0 s HIS 10 Ca 0.50 -0.64 -0.04 0.00 -3.00 0.00 0.00 55.06 51.88 2kd0 s HIS 10 Cb -0.27 -0.69 0.00 0.00 -4.00 0.00 0.00 32.58 27.62 2kd0 s HIS 10 CO 0.32 0.14 0.15 0.45 -1.00 0.00 0.00 174.74 174.80 2kd0 n SER 11 N 0.16 -6.57 -4.47 7.38 2.88 -1.26 -4.88 113.62 106.86 2kd0 n SER 11 Ca -0.13 0.87 -0.27 0.00 -1.33 0.00 0.00 58.87 58.02 2kd0 n SER 11 Cb 0.59 -4.32 -0.11 0.00 -0.75 0.00 0.00 64.21 59.62 2kd0 n SER 11 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2kd0 s THR 12 N -1.56 2.62 0.28 2.46 -4.23 -1.26 -4.30 115.64 109.64 2kd0 s THR 12 Ca 0.06 -1.90 0.09 0.00 -1.18 0.00 0.00 61.69 58.76 2kd0 s THR 12 Cb -0.02 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.51 2kd0 s THR 12 CO 0.59 -0.11 0.03 0.27 -0.54 0.00 0.00 174.62 174.87 2kd0 s ILE 13 N -1.66 3.37 -0.48 2.99 -4.36 0.22 -4.88 121.20 116.40 2kd0 s ILE 13 Ca 0.22 -1.86 -0.25 0.00 -0.26 0.00 0.00 60.65 58.50 2kd0 s ILE 13 Cb -0.08 -2.89 0.03 0.00 1.25 0.00 0.00 42.46 40.77 2kd0 s ILE 13 CO 0.11 -0.33 0.89 -0.54 0.24 0.00 0.00 174.94 175.31 2kd0 s LYS 14 N -3.71 3.46 -0.03 0.37 1.02 -1.26 -3.01 119.74 116.57 2kd0 s LYS 14 Ca 0.33 0.00 -0.05 0.00 0.02 0.00 0.00 55.97 56.27 2kd0 s LYS 14 Cb -0.05 -3.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.26 2kd0 s LYS 14 CO 0.21 -1.25 0.21 -0.51 -0.92 0.00 0.00 175.35 173.09 2kd0 s LEU 15 N 3.67 4.38 -0.43 3.17 2.01 0.33 -0.41 118.68 131.39 2kd0 s LEU 15 Ca 0.34 0.47 0.02 0.00 0.01 0.00 0.00 54.13 54.97 2kd0 s LEU 15 Cb -0.11 -2.52 0.13 0.00 0.01 0.00 0.00 46.19 43.70 2kd0 s LEU 15 CO 0.24 0.29 0.22 -0.89 1.01 0.00 0.00 176.35 177.22 2kd0 s THR 16 N -1.25 1.49 -0.46 5.49 2.01 -0.04 -0.71 115.64 122.18 2kd0 s THR 16 Ca 0.25 -2.51 -0.26 0.00 0.31 0.00 0.00 61.69 59.48 2kd0 s THR 16 Cb -0.13 -2.05 0.03 0.00 0.01 0.00 0.00 72.50 70.36 2kd0 s THR 16 CO 0.14 -0.85 0.98 -0.69 -0.69 0.00 0.00 174.62 173.51 2kd0 s VAL 17 N 0.43 4.41 -0.48 3.82 1.01 0.41 0.14 120.40 130.14 2kd0 s VAL 17 Ca 0.17 0.87 -0.17 0.00 0.00 0.00 0.00 61.98 62.85 2kd0 s VAL 17 Cb -0.24 -4.48 0.06 0.00 0.00 0.00 0.00 36.38 31.73 2kd0 s VAL 17 CO -0.02 -0.88 0.49 -0.54 0.00 0.00 0.00 175.10 174.15 2kd0 s LYS 18 N 3.93 3.04 -1.01 2.72 1.02 0.69 -0.20 119.74 129.93 2kd0 s LYS 18 Ca 0.40 -1.14 -0.23 0.00 0.02 0.00 0.00 55.97 55.02 2kd0 s LYS 18 Cb -0.09 -4.11 0.05 0.00 -0.52 0.00 0.00 37.83 33.15 2kd0 s LYS 18 CO 0.28 -1.09 1.46 -0.06 -0.92 0.00 0.00 175.35 175.02 2kd0 s PHE 19 N 2.05 2.50 -1.46 3.18 0.40 -1.21 -1.85 117.98 121.59 2kd0 s PHE 19 Ca 0.09 -0.77 -0.15 0.00 -0.60 0.00 0.00 56.93 55.50 2kd0 s PHE 19 Cb -0.22 -4.67 0.13 0.00 0.51 0.00 0.00 43.02 38.77 2kd0 s PHE 19 CO 0.09 -1.94 0.60 0.41 0.70 0.00 0.00 175.22 175.08 2kd0 n GLY 20 N 6.86 -0.46 0.00 4.36 0.00 -1.25 -1.16 105.19 113.53 2kd0 n GLY 20 Ca 0.33 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2kd0 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kd0 n GLY 21 N -1.19 1.10 3.80 -0.02 0.00 -1.26 -5.13 105.19 102.50 2kd0 n GLY 21 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 2kd0 n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kd0 s LYS 22 N 0.00 1.32 -0.33 1.61 -0.14 -0.31 -5.07 119.74 116.82 2kd0 s LYS 22 Ca 0.00 0.31 -0.01 0.00 -1.36 0.00 0.00 55.97 54.91 2kd0 s LYS 22 Cb 0.00 -1.86 0.11 0.00 -1.68 0.00 0.00 37.83 34.40 2kd0 s LYS 22 CO 0.00 -2.08 0.14 -1.54 -0.76 0.00 0.00 175.35 171.12 2kd0 s SER 23 N -4.06 3.65 -0.43 2.83 1.04 -1.26 -3.35 113.70 112.12 2kd0 s SER 23 Ca 0.63 -1.75 -0.20 0.00 0.48 0.00 0.00 55.95 55.11 2kd0 s SER 23 Cb -0.14 -0.64 0.02 0.00 0.10 0.00 0.00 66.02 65.35 2kd0 s SER 23 CO 0.53 -0.39 0.61 -0.63 0.98 0.00 0.00 173.24 174.34 2kd0 s ILE 24 N 1.52 4.87 -0.04 -1.02 -1.09 0.72 -4.91 121.20 121.25 2kd0 s ILE 24 Ca 0.12 0.09 -0.30 0.00 -2.23 0.00 0.00 60.65 58.33 2kd0 s ILE 24 Cb -0.19 -4.17 -0.03 0.00 -1.58 0.00 0.00 42.46 36.50 2kd0 s ILE 24 CO -0.21 -0.54 1.09 -2.84 -1.23 0.00 0.00 174.94 171.21 2kd0 s PRO 25 N 2.70 4.43 0.15 2.79 0.02 -1.26 -0.44 135.00 143.39 2kd0 s PRO 25 Ca 0.21 1.55 0.04 0.00 0.02 0.00 0.00 61.00 62.82 2kd0 s PRO 25 Cb -0.15 -3.50 -0.04 0.00 0.02 0.00 0.00 34.50 30.83 2kd0 s PRO 25 CO 0.18 -0.29 -0.09 -0.51 -0.33 0.00 0.00 177.00 175.96 2kd0 s LEU 26 N 1.69 2.49 -0.29 -5.54 1.43 0.12 -4.99 118.68 113.59 2kd0 s LEU 26 Ca 0.53 -1.03 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 2kd0 s LEU 26 Cb -0.23 -0.30 0.12 0.00 0.03 0.00 0.00 46.19 45.82 2kd0 s LEU 26 CO 0.23 -0.37 0.23 -0.44 0.23 0.00 0.00 176.35 176.24 2kd0 s SER 27 N -3.16 2.40 0.38 2.29 0.01 -1.26 -0.52 113.70 113.85 2kd0 s SER 27 Ca 0.17 -1.00 0.04 0.00 1.31 0.00 0.00 55.95 56.47 2kd0 s SER 27 Cb 0.03 0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.40 2kd0 s SER 27 CO 0.00 -0.40 0.15 0.68 0.41 0.00 0.00 173.24 174.08 2kd0 s VAL 28 N 2.22 0.48 0.19 3.43 -7.23 -1.17 -4.81 120.40 113.52 2kd0 s VAL 28 Ca 0.10 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.97 2kd0 s VAL 28 Cb -0.15 -2.40 -0.08 0.00 0.56 0.00 0.00 36.38 34.31 2kd0 s VAL 28 CO -0.33 0.00 1.13 -0.55 -0.31 0.00 0.00 175.10 175.03 2kd0 s SER 29 N -3.54 7.22 0.17 4.85 0.15 -1.26 -0.61 113.70 120.67 2kd0 s SER 29 Ca 0.28 2.15 0.18 0.00 0.70 0.00 0.00 55.95 59.26 2kd0 s SER 29 Cb 0.03 -2.61 0.80 0.00 -1.71 0.00 0.00 66.02 62.53 2kd0 s SER 29 CO 0.17 -0.25 1.55 -0.81 1.20 0.00 0.00 173.24 175.10 2kd0 n PRO 30 N 2.25 0.11 -0.14 5.44 -0.04 -1.26 -1.70 135.00 139.65 2kd0 n PRO 30 Ca 0.03 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.02 2kd0 n PRO 30 Cb 0.46 -1.74 0.24 0.00 -0.04 0.00 0.00 33.50 32.42 2kd0 n PRO 30 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kd0 n ASP 31 N -1.95 2.99 -4.76 3.54 9.92 -1.26 -1.47 116.55 123.56 2kd0 n ASP 31 Ca 0.02 -1.93 -0.40 0.00 -0.53 0.00 0.00 54.79 51.95 2kd0 n ASP 31 Cb 0.15 -0.19 -0.06 0.00 -0.64 0.00 0.00 41.12 40.39 2kd0 n ASP 31 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kd0 s THR 33 N -1.21 3.22 0.64 0.00 -4.23 -1.26 -3.17 115.64 109.63 2kd0 s THR 33 Ca 0.40 1.07 0.33 0.00 -1.18 0.00 0.00 61.69 62.32 2kd0 s THR 33 Cb -0.25 -3.68 0.37 0.00 1.34 0.00 0.00 72.50 70.28 2kd0 s THR 33 CO 0.30 0.19 2.11 -0.37 -0.54 0.00 0.00 174.62 176.31 2kd0 h VAL 34 N 3.54 0.19 -0.70 2.29 -1.51 -1.31 0.17 116.25 118.92 2kd0 h VAL 34 Ca -0.46 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.07 2kd0 h VAL 34 Cb 1.22 0.82 -0.04 0.00 -2.13 0.00 0.00 31.29 31.15 2kd0 h VAL 34 CO 0.73 0.00 0.46 0.50 -1.23 0.00 0.00 177.57 178.03 2kd0 h LYS 35 N 0.00 0.72 -0.06 5.19 3.64 -1.80 -1.46 116.57 122.80 2kd0 h LYS 35 Ca 0.04 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2kd0 h LYS 35 Cb 0.44 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2kd0 h LYS 35 CO -0.00 0.48 -0.25 0.22 -2.27 0.00 0.00 179.45 177.62 2kd0 h ASP 36 N 0.74 0.10 -0.96 4.20 3.58 -0.96 -2.18 116.42 120.93 2kd0 h ASP 36 Ca 0.30 -0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.77 2kd0 h ASP 36 Cb 0.23 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.20 2kd0 h ASP 36 CO -0.10 0.35 0.63 -0.07 -2.88 0.00 0.00 179.24 177.18 2kd0 h LEU 37 N 0.09 1.02 -0.73 2.28 3.38 -1.35 -0.91 115.31 119.09 2kd0 h LEU 37 Ca 0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2kd0 h LEU 37 Cb 0.50 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2kd0 h LEU 37 CO 0.04 0.68 0.39 0.11 0.09 0.00 0.00 178.44 179.74 2kd0 h LYS 38 N 1.17 1.02 0.00 1.13 1.57 -1.37 0.18 116.57 120.28 2kd0 h LYS 38 Ca 0.40 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2kd0 h LYS 38 Cb 0.08 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 2kd0 h LYS 38 CO -0.13 0.77 -0.04 1.03 -0.57 0.00 0.00 179.45 180.51 2kd0 h SER 39 N 1.00 0.00 0.07 0.86 0.87 -1.02 0.10 113.55 115.44 2kd0 h SER 39 Ca 0.25 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.52 2kd0 h SER 39 Cb 0.05 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2kd0 h SER 39 CO -0.04 0.04 -1.56 1.56 -0.53 0.00 0.00 176.83 176.30 2kd0 h GLN 40 N 0.00 0.15 -0.53 2.24 4.20 -0.45 -3.40 115.11 117.33 2kd0 h GLN 40 Ca -0.00 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.34 2kd0 h GLN 40 Cb 0.13 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2kd0 h GLN 40 CO 0.00 1.13 -0.08 -0.07 -0.67 0.00 0.00 178.83 179.14 2kd0 h LEU 41 N -0.44 0.96 -0.16 1.46 3.38 -0.46 -3.33 115.31 116.73 2kd0 h LEU 41 Ca -0.36 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.36 2kd0 h LEU 41 Cb 1.68 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 42.11 2kd0 h LEU 41 CO -0.04 1.06 -0.25 -0.61 0.09 0.00 0.00 178.44 178.69 2kd0 h GLN 42 N 0.87 -0.30 0.00 1.13 4.15 -1.14 0.26 115.11 120.08 2kd0 h GLN 42 Ca 0.14 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2kd0 h GLN 42 Cb 0.62 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.38 2kd0 h GLN 42 CO 0.04 -0.20 0.00 -0.35 -1.93 0.00 0.00 178.83 176.39 2kd0 n PRO 43 N -5.38 0.23 -0.05 -2.39 -0.04 -1.25 -0.31 135.00 125.81 2kd0 n PRO 43 Ca -0.02 0.12 -0.07 0.00 -0.04 0.00 0.00 63.50 63.49 2kd0 n PRO 43 Cb 0.29 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.23 2kd0 n PRO 43 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2kd0 n ILE 44 N -1.19 1.41 1.25 0.52 5.41 -0.15 -4.73 119.36 121.89 2kd0 n ILE 44 Ca 0.07 0.21 0.13 0.00 1.00 0.00 0.00 62.75 64.16 2kd0 n ILE 44 Cb 0.07 -2.11 0.40 0.00 -0.71 0.00 0.00 39.64 37.29 2kd0 n ILE 44 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2kd0 n THR 45 N -4.15 0.00 -1.07 1.39 -2.24 0.72 -4.94 114.28 103.99 2kd0 n THR 45 Ca -0.10 -0.12 -0.02 0.00 -2.27 0.00 0.00 64.05 61.53 2kd0 n THR 45 Cb 0.37 0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 68.94 2kd0 n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2kd0 n ASN 46 N -0.70 -4.53 -4.76 3.42 3.02 0.57 -4.99 115.26 107.30 2kd0 n ASN 46 Ca 0.12 0.06 -0.39 0.00 -0.03 0.00 0.00 54.58 54.34 2kd0 n ASN 46 Cb 0.34 -2.23 -0.05 0.00 -0.61 0.00 0.00 39.78 37.23 2kd0 n ASN 46 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2kd0 s VAL 47 N -1.67 4.90 0.48 2.41 1.01 -1.25 -5.01 120.40 121.27 2kd0 s VAL 47 Ca 0.00 1.29 -0.22 0.00 0.00 0.00 0.00 61.98 63.06 2kd0 s VAL 47 Cb 0.00 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 2kd0 s VAL 47 CO 0.00 0.40 1.12 -0.76 0.00 0.00 0.00 175.10 175.86 2kd0 s LEU 48 N -0.09 3.94 0.41 3.92 1.43 -1.26 -4.20 118.68 122.82 2kd0 s LEU 48 Ca 0.32 2.19 0.14 0.00 -1.03 0.00 0.00 54.13 55.75 2kd0 s LEU 48 Cb -0.18 -4.37 1.00 0.00 0.03 0.00 0.00 46.19 42.68 2kd0 s LEU 48 CO 0.18 -0.92 1.90 1.55 0.23 0.00 0.00 176.35 179.28 2kd0 h PRO 49 N 1.82 0.46 0.35 1.29 0.13 -1.97 -2.42 132.00 131.66 2kd0 h PRO 49 Ca -0.49 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 2kd0 h PRO 49 Cb 1.24 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2kd0 h PRO 49 CO 0.59 0.31 -0.27 -0.09 -0.23 0.00 0.00 178.00 178.31 2kd0 h ARG 50 N 0.48 -0.60 -1.96 0.86 2.43 -2.01 -3.20 114.38 110.38 2kd0 h ARG 50 Ca 0.41 0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.43 2kd0 h ARG 50 Cb 0.88 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.50 2kd0 h ARG 50 CO -0.15 -0.40 -0.10 0.41 -1.51 0.00 0.00 179.97 178.22 2kd0 n GLY 51 N -1.40 3.12 2.61 2.80 0.00 -0.91 -4.68 105.19 106.73 2kd0 n GLY 51 Ca -0.10 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 2kd0 n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kd0 s GLN 52 N 0.11 0.31 -0.61 1.61 -0.21 -1.21 -1.02 119.66 118.64 2kd0 s GLN 52 Ca 0.43 -0.55 -0.08 0.00 0.02 0.00 0.00 55.36 55.18 2kd0 s GLN 52 Cb 0.23 -1.52 0.16 0.00 1.00 0.00 0.00 33.01 32.88 2kd0 s GLN 52 CO -0.03 -0.92 0.48 0.15 -2.12 0.00 0.00 175.29 172.85 2kd0 s LYS 53 N 1.99 2.78 -0.37 2.91 1.02 -0.40 -4.98 119.74 122.68 2kd0 s LYS 53 Ca 0.07 -2.21 -0.28 0.00 0.02 0.00 0.00 55.97 53.56 2kd0 s LYS 53 Cb -0.16 -3.98 -0.01 0.00 -0.52 0.00 0.00 37.83 33.16 2kd0 s LYS 53 CO -0.27 -1.21 1.65 -0.51 -0.92 0.00 0.00 175.35 174.09 2kd0 s LEU 54 N 0.55 3.52 -0.24 3.17 1.43 -1.26 -0.61 118.68 125.25 2kd0 s LEU 54 Ca 0.13 1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 54.30 2kd0 s LEU 54 Cb -0.20 -3.48 0.03 0.00 0.03 0.00 0.00 46.19 42.57 2kd0 s LEU 54 CO -0.04 -1.63 -0.09 -0.63 0.23 0.00 0.00 176.35 174.19 2kd0 s ILE 55 N 6.40 2.65 -0.28 -0.59 1.01 0.14 -0.11 121.20 130.43 2kd0 s ILE 55 Ca 0.72 -1.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.23 2kd0 s ILE 55 Cb -0.19 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 39.96 2kd0 s ILE 55 CO 0.33 0.22 0.01 0.12 0.00 0.00 0.00 174.94 175.62 2kd0 s PHE 56 N 1.29 3.13 -1.31 3.97 5.36 0.11 -0.53 117.98 129.99 2kd0 s PHE 56 Ca -0.00 -1.33 -0.04 0.00 -0.96 0.00 0.00 56.93 54.60 2kd0 s PHE 56 Cb -0.17 -2.16 0.02 0.00 -0.34 0.00 0.00 43.02 40.38 2kd0 s PHE 56 CO -0.06 -0.67 0.27 1.63 -1.46 0.00 0.00 175.22 174.93 2kd0 n LYS 57 N 4.75 -3.05 0.00 10.12 4.76 -1.26 -2.20 118.16 131.28 2kd0 n LYS 57 Ca -0.15 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 2kd0 n LYS 57 Cb 0.47 -5.37 0.00 0.00 -1.84 0.00 0.00 35.03 28.29 2kd0 n LYS 57 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kd0 n GLY 58 N -1.08 3.17 3.84 0.72 0.00 -1.26 -5.07 105.19 105.51 2kd0 n GLY 58 Ca -0.11 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 2kd0 n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kd0 s LYS 59 N 0.00 4.01 -0.12 1.61 -2.85 -0.93 -5.02 119.74 116.44 2kd0 s LYS 59 Ca 0.00 0.82 -0.08 0.00 -1.00 0.00 0.00 55.97 55.71 2kd0 s LYS 59 Cb 0.00 -2.28 -0.04 0.00 -2.06 0.00 0.00 37.83 33.44 2kd0 s LYS 59 CO 0.00 -0.03 0.17 0.54 0.10 0.00 0.00 175.35 176.13 2kd0 s VAL 60 N -2.26 5.46 -0.69 1.79 0.11 -1.26 0.05 120.40 123.60 2kd0 s VAL 60 Ca 0.57 0.27 -0.27 0.00 -2.93 0.00 0.00 61.98 59.62 2kd0 s VAL 60 Cb -0.10 -3.44 0.01 0.00 -1.53 0.00 0.00 36.38 31.32 2kd0 s VAL 60 CO 0.22 0.60 1.56 -0.76 -3.33 0.00 0.00 175.10 173.39 2kd0 s LEU 61 N -0.91 3.23 0.27 2.54 2.01 0.84 -4.95 118.68 121.71 2kd0 s LEU 61 Ca 0.15 -0.13 -0.30 0.00 0.01 0.00 0.00 54.13 53.87 2kd0 s LEU 61 Cb -0.12 -2.55 -0.10 0.00 0.01 0.00 0.00 46.19 43.43 2kd0 s LEU 61 CO 0.04 -2.10 1.43 -0.69 1.01 0.00 0.00 176.35 176.04 2kd0 s VAL 62 N 7.34 2.61 0.62 -1.59 1.01 -1.26 -4.72 120.40 124.42 2kd0 s VAL 62 Ca 0.51 0.53 0.36 0.00 0.00 0.00 0.00 61.98 63.37 2kd0 s VAL 62 Cb -0.10 -3.34 0.39 0.00 0.00 0.00 0.00 36.38 33.33 2kd0 s VAL 62 CO 0.16 0.09 2.29 -0.33 0.00 0.00 0.00 175.10 177.32 2kd0 h GLU 63 N 4.63 0.00 0.00 2.72 5.08 -1.94 0.19 114.58 125.26 2kd0 h GLU 63 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2kd0 h GLU 63 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2kd0 h GLU 63 CO 0.75 0.00 -0.30 0.25 -1.00 0.00 0.00 179.01 178.70 2kd0 n THR 64 N -3.53 0.22 -3.32 1.13 -2.24 -1.26 -3.43 114.28 101.85 2kd0 n THR 64 Ca -0.03 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 2kd0 n THR 64 Cb 0.10 -0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 68.06 2kd0 n THR 64 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kd0 s SER 65 N -3.65 6.63 0.70 3.42 0.15 0.67 -4.93 113.70 116.70 2kd0 s SER 65 Ca 0.10 0.98 0.01 0.00 0.70 0.00 0.00 55.95 57.75 2kd0 s SER 65 Cb 0.16 -2.25 0.12 0.00 -1.71 0.00 0.00 66.02 62.33 2kd0 s SER 65 CO 0.64 -0.13 0.96 0.42 1.20 0.00 0.00 173.24 176.33 2kd0 s THR 66 N -1.91 2.14 0.02 6.45 -4.23 -1.26 -1.14 115.64 115.72 2kd0 s THR 66 Ca 0.49 -0.66 -0.25 0.00 -1.18 0.00 0.00 61.69 60.08 2kd0 s THR 66 Cb -0.11 -2.48 -0.18 0.00 1.34 0.00 0.00 72.50 71.07 2kd0 s THR 66 CO 0.22 0.00 1.41 -0.07 -0.54 0.00 0.00 174.62 175.64 2kd0 h LEU 67 N -0.41 -0.09 -2.35 4.79 -0.00 -1.34 -2.98 115.31 112.94 2kd0 h LEU 67 Ca -0.35 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.26 2kd0 h LEU 67 Cb 1.27 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 2kd0 h LEU 67 CO 0.40 0.22 0.00 0.50 -0.00 0.00 0.00 178.44 179.56 2kd0 h LYS 68 N -0.40 0.00 -0.00 1.13 3.64 -1.39 -1.58 116.57 117.96 2kd0 h LYS 68 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2kd0 h LYS 68 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2kd0 h LYS 68 CO 0.02 0.00 -0.04 1.04 -2.27 0.00 0.00 179.45 178.20 2kd0 n GLN 69 N -2.86 0.82 -2.74 1.90 6.02 -1.12 -4.15 117.38 115.25 2kd0 n GLN 69 Ca -0.02 -0.18 -0.05 0.00 -0.01 0.00 0.00 57.00 56.74 2kd0 n GLN 69 Cb 0.10 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.91 2kd0 n GLN 69 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kd0 n SER 70 N -0.93 1.27 0.00 1.08 2.88 -0.62 -4.94 113.62 112.35 2kd0 n SER 70 Ca 0.18 -2.40 0.00 0.00 -1.33 0.00 0.00 58.87 55.32 2kd0 n SER 70 Cb 0.22 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 2kd0 n SER 70 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kd0 n ASP 71 N -0.35 -5.11 -4.70 -3.46 8.00 -1.25 -4.95 116.55 104.73 2kd0 n ASP 71 Ca 0.07 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.17 2kd0 n ASP 71 Cb 0.81 -2.89 -0.05 0.00 -0.02 0.00 0.00 41.12 38.98 2kd0 n ASP 71 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2kd0 s VAL 72 N -1.21 5.00 0.00 2.53 1.01 -1.05 -5.03 120.40 121.65 2kd0 s VAL 72 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.46 2kd0 s VAL 72 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2kd0 s VAL 72 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.88 2kd0 n GLY 73 N 3.28 4.17 3.58 4.51 0.00 -1.26 -3.99 105.19 115.48 2kd0 n GLY 73 Ca 0.00 -1.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 2kd0 n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kd0 s SER 74 N 0.25 5.20 0.00 1.61 0.15 -1.26 -1.69 113.70 117.95 2kd0 s SER 74 Ca 0.00 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.05 2kd0 s SER 74 Cb 0.00 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2kd0 s SER 74 CO 0.00 -2.24 0.00 0.61 1.20 0.00 0.00 173.24 172.81 2kd0 n GLY 75 N 5.77 1.62 3.63 9.45 0.00 0.45 -4.80 105.19 121.30 2kd0 n GLY 75 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 2kd0 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kd0 s ALA 76 N -2.00 3.36 -0.74 4.61 0.00 -0.68 -4.92 121.76 121.38 2kd0 s ALA 76 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.64 2kd0 s ALA 76 Cb 0.00 -3.77 0.08 0.00 0.00 0.00 0.00 23.12 19.43 2kd0 s ALA 76 CO 0.00 -1.78 1.05 0.15 0.00 0.00 0.00 175.76 175.18 2kd0 s LYS 77 N 4.04 3.25 -0.13 0.00 1.02 -1.26 -0.86 119.74 125.80 2kd0 s LYS 77 Ca 0.50 -1.01 -0.24 0.00 0.02 0.00 0.00 55.97 55.24 2kd0 s LYS 77 Cb -0.13 -4.44 -0.02 0.00 -0.52 0.00 0.00 37.83 32.72 2kd0 s LYS 77 CO 0.22 -1.85 0.77 -0.51 -0.92 0.00 0.00 175.35 173.06 2kd0 s LEU 78 N 3.94 4.22 -0.59 3.17 1.43 0.12 -4.64 118.68 126.33 2kd0 s LEU 78 Ca 0.27 1.16 -0.20 0.00 -1.03 0.00 0.00 54.13 54.32 2kd0 s LEU 78 Cb -0.13 -3.16 0.08 0.00 0.03 0.00 0.00 46.19 43.02 2kd0 s LEU 78 CO 0.05 -0.29 0.76 -0.32 0.23 0.00 0.00 176.35 176.78 2kd0 s MET 79 N 1.65 3.09 -0.49 1.70 -2.45 0.31 -0.22 119.30 122.89 2kd0 s MET 79 Ca 0.37 -1.07 -0.22 0.00 -1.25 0.00 0.00 55.69 53.53 2kd0 s MET 79 Cb -0.17 -4.21 0.04 0.00 1.25 0.00 0.00 34.83 31.73 2kd0 s MET 79 CO 0.15 -1.54 0.74 -1.17 1.05 0.00 0.00 175.02 174.25 2kd0 s LEU 80 N 3.05 4.49 -0.92 4.11 2.96 -0.77 -0.68 118.68 130.91 2kd0 s LEU 80 Ca 0.16 -0.46 -0.23 0.00 -0.22 0.00 0.00 54.13 53.37 2kd0 s LEU 80 Cb -0.21 -2.72 0.06 0.00 0.50 0.00 0.00 46.19 43.82 2kd0 s LEU 80 CO 0.09 -0.95 1.34 -0.32 -1.32 0.00 0.00 176.35 175.18 2kd0 s MET 81 N 3.14 3.47 0.24 1.98 -2.45 0.22 -3.94 119.30 121.96 2kd0 s MET 81 Ca 0.24 -0.99 0.06 0.00 -1.25 0.00 0.00 55.69 53.74 2kd0 s MET 81 Cb -0.15 -4.96 -0.03 0.00 1.25 0.00 0.00 34.83 30.94 2kd0 s MET 81 CO 0.18 -2.11 0.28 0.00 1.05 0.00 0.00 175.02 174.41 2kd0 s ALA 82 N 4.77 3.76 -1.45 4.11 0.00 -1.26 -1.28 121.76 130.41 2kd0 s ALA 82 Ca 0.40 -1.32 0.09 0.00 0.00 0.00 0.00 51.96 51.13 2kd0 s ALA 82 Cb -0.04 -1.51 0.35 0.00 0.00 0.00 0.00 23.12 21.92 2kd0 s ALA 82 CO -0.03 0.25 1.21 0.45 0.00 0.00 0.00 175.76 177.64 2kd0 n SER 83 N -1.27 2.50 -4.10 0.00 2.88 -0.19 -4.87 113.62 108.58 2kd0 n SER 83 Ca -0.08 -2.18 -0.11 0.00 -1.33 0.00 0.00 58.87 55.16 2kd0 n SER 83 Cb 0.57 -0.38 -0.11 0.00 -0.75 0.00 0.00 64.21 63.54 2kd0 n SER 83 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2kd0 s GLN 84 N -1.66 0.63 0.00 -1.46 -1.52 -1.26 -5.09 119.66 109.31 2kd0 s GLN 84 Ca 0.25 -0.99 0.00 0.00 -1.95 0.00 0.00 55.36 52.68 2kd0 s GLN 84 Cb 0.16 -0.20 0.00 0.00 -0.22 0.00 0.00 33.01 32.75 2kd0 s GLN 84 CO 0.13 0.01 0.00 0.41 -0.25 0.00 0.00 175.29 175.59