#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 3.89 2.68 -5.12 0.00 -1.26 -5.16 105.19 100.22 2kd0 n GLY 2 Ca 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 2kd0 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kd0 s HIS 3 N 2.79 0.04 -0.28 1.61 0.09 -1.26 -5.12 115.29 113.17 2kd0 s HIS 3 Ca 0.00 0.29 0.03 0.00 -0.00 0.00 0.00 55.06 55.37 2kd0 s HIS 3 Cb 0.00 -0.46 0.07 0.00 -0.00 0.00 0.00 32.58 32.19 2kd0 s HIS 3 CO 0.00 -0.20 -0.05 -1.01 -0.00 0.00 0.00 174.74 173.48 2kd0 s HIS 4 N 2.17 3.17 0.05 1.40 0.09 -1.26 -5.11 115.29 115.79 2kd0 s HIS 4 Ca 0.05 -2.37 -0.23 0.00 -0.00 0.00 0.00 55.06 52.51 2kd0 s HIS 4 Cb -0.12 -2.10 -0.06 0.00 -0.00 0.00 0.00 32.58 30.30 2kd0 s HIS 4 CO -0.03 -0.88 0.70 -1.01 -0.00 0.00 0.00 174.74 173.52 2kd0 s HIS 5 N 1.13 3.75 -0.59 1.40 0.09 -1.26 -4.95 115.29 114.86 2kd0 s HIS 5 Ca -0.03 1.40 0.02 0.00 -0.00 0.00 0.00 55.06 56.44 2kd0 s HIS 5 Cb -0.19 -2.72 0.12 0.00 -0.00 0.00 0.00 32.58 29.79 2kd0 s HIS 5 CO -0.07 0.36 0.86 1.58 -0.00 0.00 0.00 174.74 177.48 2kd0 n HIS 6 N 2.49 0.39 -1.99 1.40 -0.00 -1.26 -4.82 115.22 111.42 2kd0 n HIS 6 Ca -0.05 -0.33 -0.26 0.00 -0.00 0.00 0.00 57.72 57.08 2kd0 n HIS 6 Cb 0.50 -0.24 -0.06 0.00 -0.00 0.00 0.00 29.99 30.19 2kd0 n HIS 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kd0 s HIS 7 N -1.00 1.79 -0.02 1.57 2.46 -1.26 -4.44 115.29 114.39 2kd0 s HIS 7 Ca 0.09 0.77 0.01 0.00 0.47 0.00 0.00 55.06 56.40 2kd0 s HIS 7 Cb 0.07 -3.93 -0.02 0.00 -0.13 0.00 0.00 32.58 28.57 2kd0 s HIS 7 CO 0.02 -1.38 0.04 0.72 -2.47 0.00 0.00 174.74 171.67 2kd0 n HIS 8 N 14.92 0.00 -3.06 3.88 8.25 -1.26 -5.03 115.22 132.92 2kd0 n HIS 8 Ca 0.43 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.49 2kd0 n HIS 8 Cb 0.46 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.51 2kd0 n HIS 8 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kd0 s SER 9 N -1.76 7.10 -0.15 0.41 0.15 -1.26 -4.97 113.70 113.21 2kd0 s SER 9 Ca -0.00 1.31 -0.07 0.00 0.70 0.00 0.00 55.95 57.89 2kd0 s SER 9 Cb 0.01 -2.43 -0.07 0.00 -1.71 0.00 0.00 66.02 61.82 2kd0 s SER 9 CO 0.05 0.01 -0.19 1.41 1.20 0.00 0.00 173.24 175.72 2kd0 n HIS 10 N 3.02 0.00 -2.33 3.44 8.25 -1.26 -4.89 115.22 121.45 2kd0 n HIS 10 Ca -0.03 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.45 2kd0 n HIS 10 Cb 0.51 -0.53 0.01 0.00 1.12 0.00 0.00 29.99 31.09 2kd0 n HIS 10 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kd0 n SER 11 N -3.60 0.57 -4.88 0.41 2.88 -1.26 -5.10 113.62 102.63 2kd0 n SER 11 Ca -0.29 -1.97 -0.36 0.00 -1.33 0.00 0.00 58.87 54.92 2kd0 n SER 11 Cb 0.71 -0.21 -0.06 0.00 -0.75 0.00 0.00 64.21 63.90 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 0.00 5.34 -0.02 2.46 -4.23 -1.26 -4.30 115.64 113.64 2kd0 s THR 12 Ca 0.22 0.25 0.03 0.00 -1.18 0.00 0.00 61.69 61.02 2kd0 s THR 12 Cb 0.26 -3.53 -0.03 0.00 1.34 0.00 0.00 72.50 70.54 2kd0 s THR 12 CO -0.11 0.48 -0.09 0.27 -0.54 0.00 0.00 174.62 174.63 2kd0 s ILE 13 N -1.18 3.49 -0.41 2.99 -4.36 0.60 -4.92 121.20 117.42 2kd0 s ILE 13 Ca 0.23 -0.73 -0.19 0.00 -0.26 0.00 0.00 60.65 59.69 2kd0 s ILE 13 Cb -0.13 -2.47 0.02 0.00 1.25 0.00 0.00 42.46 41.12 2kd0 s ILE 13 CO 0.12 0.47 0.56 -0.54 0.24 0.00 0.00 174.94 175.78 2kd0 s LYS 14 N -1.17 3.34 0.21 0.37 1.02 -1.26 -1.85 119.74 120.40 2kd0 s LYS 14 Ca 0.15 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.75 2kd0 s LYS 14 Cb -0.11 -3.91 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 2kd0 s LYS 14 CO 0.05 -0.87 0.39 -0.51 -0.92 0.00 0.00 175.35 173.49 2kd0 s LEU 15 N 2.54 4.23 -0.36 3.17 1.02 0.38 -0.48 118.68 129.19 2kd0 s LEU 15 Ca 0.19 0.34 0.01 0.00 0.02 0.00 0.00 54.13 54.69 2kd0 s LEU 15 Cb -0.15 -3.11 0.11 0.00 0.02 0.00 0.00 46.19 43.06 2kd0 s LEU 15 CO 0.16 -0.06 0.12 -0.89 0.02 0.00 0.00 176.35 175.71 2kd0 s THR 16 N -1.91 1.47 -0.14 5.49 2.01 0.02 -1.84 115.64 120.75 2kd0 s THR 16 Ca 0.38 -2.02 -0.29 0.00 0.31 0.00 0.00 61.69 60.07 2kd0 s THR 16 Cb -0.11 -2.08 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 2kd0 s THR 16 CO 0.30 -0.71 0.98 -0.69 -0.69 0.00 0.00 174.62 173.80 2kd0 s VAL 17 N 1.03 4.78 -0.49 3.82 1.01 -0.24 -0.58 120.40 129.73 2kd0 s VAL 17 Ca 0.12 1.96 -0.16 0.00 0.00 0.00 0.00 61.98 63.90 2kd0 s VAL 17 Cb -0.20 -4.28 0.09 0.00 0.00 0.00 0.00 36.38 31.99 2kd0 s VAL 17 CO -0.14 -0.03 0.44 -0.54 0.00 0.00 0.00 175.10 174.84 2kd0 s LYS 18 N 2.29 2.99 -0.46 2.72 1.02 -0.99 -0.63 119.74 126.68 2kd0 s LYS 18 Ca 0.45 -1.41 -0.16 0.00 0.02 0.00 0.00 55.97 54.88 2kd0 s LYS 18 Cb -0.17 -4.18 0.06 0.00 -0.52 0.00 0.00 37.83 33.02 2kd0 s LYS 18 CO 0.14 -1.13 0.39 -0.06 -0.92 0.00 0.00 175.35 173.77 2kd0 s PHE 19 N 1.72 3.23 0.00 3.18 0.08 -1.10 -3.93 117.98 121.17 2kd0 s PHE 19 Ca 0.05 -0.82 0.00 0.00 0.12 0.00 0.00 56.93 56.28 2kd0 s PHE 19 Cb -0.25 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 2kd0 s PHE 19 CO 0.06 -0.76 0.00 0.41 -0.10 0.00 0.00 175.22 174.83 2kd0 n GLY 20 N 5.19 0.51 0.02 4.36 0.00 -1.26 -0.90 105.19 113.12 2kd0 n GLY 20 Ca -0.12 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 -1.42 3.97 -0.02 0.00 -1.26 -5.10 105.19 101.36 2kd0 n GLY 21 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.26 3.34 -0.19 1.61 -0.14 -0.07 -5.11 119.74 118.92 2kd0 s LYS 22 Ca 0.00 -0.79 0.00 0.00 -1.36 0.00 0.00 55.97 53.82 2kd0 s LYS 22 Cb 0.00 -2.84 0.02 0.00 -1.68 0.00 0.00 37.83 33.33 2kd0 s LYS 22 CO 0.00 0.29 -0.17 0.45 -0.76 0.00 0.00 175.35 175.16 2kd0 s SER 23 N -4.05 3.39 -0.49 2.83 0.15 -1.26 -2.70 113.70 111.58 2kd0 s SER 23 Ca 0.38 -0.65 -0.12 0.00 0.70 0.00 0.00 55.95 56.26 2kd0 s SER 23 Cb -0.09 -1.53 0.11 0.00 -1.71 0.00 0.00 66.02 62.81 2kd0 s SER 23 CO 0.30 -0.02 0.39 -0.63 1.20 0.00 0.00 173.24 174.49 2kd0 s ILE 24 N 1.31 4.64 -0.53 6.45 -1.09 0.20 -4.95 121.20 127.23 2kd0 s ILE 24 Ca 0.04 -1.59 -0.26 0.00 -2.23 0.00 0.00 60.65 56.62 2kd0 s ILE 24 Cb -0.14 -3.98 0.03 0.00 -1.58 0.00 0.00 42.46 36.80 2kd0 s ILE 24 CO -0.11 -0.76 1.00 -2.16 -1.23 0.00 0.00 174.94 171.68 2kd0 s PRO 25 N 1.47 3.45 -0.13 2.79 0.04 -1.26 -1.08 135.00 140.28 2kd0 s PRO 25 Ca 0.04 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2kd0 s PRO 25 Cb -0.27 -4.00 0.02 0.00 0.04 0.00 0.00 34.50 30.29 2kd0 s PRO 25 CO 0.01 -1.44 -0.13 -0.51 0.04 0.00 0.00 177.00 174.97 2kd0 s LEU 26 N 4.12 1.59 -0.70 -3.56 1.43 -0.76 -4.99 118.68 115.81 2kd0 s LEU 26 Ca 0.36 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 2kd0 s LEU 26 Cb -0.10 -1.10 0.18 0.00 0.03 0.00 0.00 46.19 45.20 2kd0 s LEU 26 CO 0.23 -0.06 0.63 -0.94 0.23 0.00 0.00 176.35 176.45 2kd0 s SER 27 N 1.44 6.36 0.52 2.29 1.04 -1.26 -0.47 113.70 123.62 2kd0 s SER 27 Ca 0.03 -2.42 0.06 0.00 0.48 0.00 0.00 55.95 54.10 2kd0 s SER 27 Cb -0.13 -2.15 0.06 0.00 0.10 0.00 0.00 66.02 63.90 2kd0 s SER 27 CO -0.09 -0.63 0.54 1.33 0.98 0.00 0.00 173.24 175.37 2kd0 n VAL 28 N 4.31 0.00 -3.21 5.02 0.24 -0.77 -4.69 118.33 119.22 2kd0 n VAL 28 Ca 0.04 -1.91 -0.39 0.00 -2.04 0.00 0.00 64.34 60.05 2kd0 n VAL 28 Cb 0.44 -0.28 -0.06 0.00 -1.47 0.00 0.00 33.84 32.47 2kd0 n VAL 28 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2kd0 s SER 29 N -4.13 7.12 0.32 -1.34 1.04 -1.26 -0.29 113.70 115.17 2kd0 s SER 29 Ca 0.41 1.34 0.23 0.00 0.48 0.00 0.00 55.95 58.41 2kd0 s SER 29 Cb -0.03 -2.39 1.18 0.00 0.10 0.00 0.00 66.02 64.88 2kd0 s SER 29 CO 0.26 0.25 1.71 1.55 0.98 0.00 0.00 173.24 177.99 2kd0 h PRO 30 N 4.44 0.00 0.00 4.02 0.13 -1.94 -2.20 132.00 136.45 2kd0 h PRO 30 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 2kd0 h PRO 30 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2kd0 h PRO 30 CO 0.64 0.00 -0.37 -0.44 -0.23 0.00 0.00 178.00 177.60 2kd0 h ASP 31 N 0.00 0.00 -4.10 1.44 3.32 -1.93 -3.17 116.42 111.99 2kd0 h ASP 31 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2kd0 h ASP 31 Cb 0.10 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.77 2kd0 h ASP 31 CO 0.00 0.37 0.48 0.00 -1.72 0.00 0.00 179.24 178.37 2kd0 s THR 33 N -1.56 5.00 0.58 0.00 -4.23 -1.26 -2.67 115.64 111.50 2kd0 s THR 33 Ca 0.78 -0.10 0.40 0.00 -1.18 0.00 0.00 61.69 61.60 2kd0 s THR 33 Cb -0.32 -3.86 0.42 0.00 1.34 0.00 0.00 72.50 70.08 2kd0 s THR 33 CO 0.34 -0.71 2.30 -0.37 -0.54 0.00 0.00 174.62 175.64 2kd0 h VAL 34 N 0.48 0.11 -0.33 2.29 -1.51 -1.27 -0.84 116.25 115.19 2kd0 h VAL 34 Ca -0.48 -0.09 -0.09 0.00 -1.23 0.00 0.00 66.70 64.81 2kd0 h VAL 34 Cb 1.21 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.44 2kd0 h VAL 34 CO 0.62 0.01 -0.14 0.50 -1.23 0.00 0.00 177.57 177.32 2kd0 h LYS 35 N 0.00 0.68 -0.89 5.19 3.64 -1.81 -2.50 116.57 120.88 2kd0 h LYS 35 Ca -0.00 -0.29 0.07 0.00 -1.27 0.00 0.00 60.65 59.16 2kd0 h LYS 35 Cb 0.08 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 2kd0 h LYS 35 CO 0.00 0.88 0.58 0.22 -2.27 0.00 0.00 179.45 178.86 2kd0 h ASP 36 N 0.45 0.87 0.19 4.20 3.58 -1.46 -1.63 116.42 122.63 2kd0 h ASP 36 Ca 0.08 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 2kd0 h ASP 36 Cb 0.67 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2kd0 h ASP 36 CO 0.05 0.55 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.80 2kd0 h LEU 37 N 0.99 -0.22 -2.23 2.28 3.38 -1.37 -1.17 115.31 116.96 2kd0 h LEU 37 Ca 0.39 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.33 2kd0 h LEU 37 Cb 0.23 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2kd0 h LEU 37 CO -0.15 -0.08 0.12 0.11 0.09 0.00 0.00 178.44 178.53 2kd0 h LYS 38 N -0.34 0.00 -0.07 1.13 1.57 -0.97 0.18 116.57 118.06 2kd0 h LYS 38 Ca -0.03 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.51 2kd0 h LYS 38 Cb 0.27 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.59 2kd0 h LYS 38 CO 0.04 0.00 -0.91 0.77 -0.57 0.00 0.00 179.45 178.78 2kd0 h SER 39 N 0.00 0.93 -0.13 0.86 0.02 -1.01 -3.01 113.55 111.21 2kd0 h SER 39 Ca 0.06 -0.69 -0.19 0.00 -0.84 0.00 0.00 61.79 60.14 2kd0 h SER 39 Cb 0.29 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2kd0 h SER 39 CO -0.00 1.48 -0.61 1.56 -1.14 0.00 0.00 176.83 178.12 2kd0 h GLN 40 N 0.46 0.74 0.00 3.45 4.20 0.26 -3.26 115.11 120.96 2kd0 h GLN 40 Ca -0.09 -0.50 -0.13 0.00 0.06 0.00 0.00 58.65 57.98 2kd0 h GLN 40 Cb 1.56 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.39 2kd0 h GLN 40 CO 0.18 1.12 -0.62 -0.07 -0.67 0.00 0.00 178.83 178.78 2kd0 h LEU 41 N 0.55 0.00 -0.01 1.46 3.38 -0.85 -3.36 115.31 116.49 2kd0 h LEU 41 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2kd0 h LEU 41 Cb 1.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2kd0 h LEU 41 CO 0.12 0.62 -0.14 -0.61 0.09 0.00 0.00 178.44 178.53 2kd0 h GLN 42 N 0.00 -0.22 0.00 1.13 4.15 -1.57 -1.39 115.11 117.21 2kd0 h GLN 42 Ca -0.01 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2kd0 h GLN 42 Cb 1.11 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.86 2kd0 h GLN 42 CO 0.08 -0.15 0.00 -1.00 -1.93 0.00 0.00 178.83 175.83 2kd0 h PRO 43 N -0.23 0.00 0.00 -2.39 0.13 -1.74 0.62 132.00 128.39 2kd0 h PRO 43 Ca 0.05 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.14 2kd0 h PRO 43 Cb 0.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 2kd0 h PRO 43 CO -0.14 0.00 -0.30 0.82 -0.23 0.00 0.00 178.00 178.15 2kd0 h ILE 44 N 0.00 0.70 -0.01 -3.56 2.04 -1.45 -3.41 117.51 111.81 2kd0 h ILE 44 Ca 0.00 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.26 2kd0 h ILE 44 Cb 0.05 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2kd0 h ILE 44 CO 0.00 0.24 -0.26 0.35 0.00 0.00 0.00 178.15 178.48 2kd0 n THR 45 N -4.64 0.00 -1.84 -0.27 -2.24 -0.96 -4.99 114.28 99.35 2kd0 n THR 45 Ca -0.10 -0.37 -0.16 0.00 -2.27 0.00 0.00 64.05 61.15 2kd0 n THR 45 Cb 0.30 1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.05 -4.94 -4.81 3.42 3.02 0.22 -5.00 115.26 107.12 2kd0 n ASN 46 Ca 0.06 0.23 -0.38 0.00 -0.03 0.00 0.00 54.58 54.45 2kd0 n ASN 46 Cb 0.30 -3.95 -0.06 0.00 -0.61 0.00 0.00 39.78 35.46 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 -2.70 4.83 0.25 2.41 1.01 -1.25 -5.05 120.40 119.91 2kd0 s VAL 47 Ca 0.00 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 2kd0 s VAL 47 Cb 0.00 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 2kd0 s VAL 47 CO 0.00 0.55 1.31 -0.76 0.00 0.00 0.00 175.10 176.19 2kd0 s LEU 48 N -0.99 4.43 0.61 3.92 1.43 -1.26 -4.52 118.68 122.30 2kd0 s LEU 48 Ca 0.28 2.51 0.34 0.00 -1.03 0.00 0.00 54.13 56.24 2kd0 s LEU 48 Cb -0.19 -3.63 2.02 0.00 0.03 0.00 0.00 46.19 44.43 2kd0 s LEU 48 CO 0.17 -0.52 2.29 1.55 0.23 0.00 0.00 176.35 180.08 2kd0 h PRO 49 N 4.59 0.00 -0.12 1.29 0.13 -1.94 0.47 132.00 136.42 2kd0 h PRO 49 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 2kd0 h PRO 49 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kd0 h PRO 49 CO 0.73 0.00 -0.23 -0.09 -0.23 0.00 0.00 178.00 178.18 2kd0 h ARG 50 N 0.00 0.36 0.00 0.86 2.43 -1.96 -3.27 114.38 112.81 2kd0 h ARG 50 Ca -0.00 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 58.90 2kd0 h ARG 50 Cb 0.01 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2kd0 h ARG 50 CO 0.00 0.83 -0.16 0.78 -1.51 0.00 0.00 179.97 179.91 2kd0 h GLY 51 N -0.05 0.00 -7.38 2.80 0.00 -1.50 -3.41 103.07 93.52 2kd0 h GLY 51 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 2kd0 h GLY 51 CO 0.05 0.00 1.04 1.20 0.00 0.00 0.00 176.54 178.83 2kd0 s GLN 52 N -3.57 2.50 -0.82 4.80 -0.21 -0.00 -4.46 119.66 117.90 2kd0 s GLN 52 Ca 0.02 0.30 -0.21 0.00 0.02 0.00 0.00 55.36 55.48 2kd0 s GLN 52 Cb 0.09 -4.70 0.10 0.00 1.00 0.00 0.00 33.01 29.50 2kd0 s GLN 52 CO 0.62 -3.14 1.09 0.15 -2.12 0.00 0.00 175.29 171.89 2kd0 s LYS 53 N 7.23 3.40 -0.66 2.91 1.02 -1.04 -4.96 119.74 127.64 2kd0 s LYS 53 Ca 0.72 -1.33 -0.27 0.00 0.02 0.00 0.00 55.97 55.11 2kd0 s LYS 53 Cb -0.11 -4.67 0.00 0.00 -0.52 0.00 0.00 37.83 32.54 2kd0 s LYS 53 CO 0.12 -1.83 1.59 -0.51 -0.92 0.00 0.00 175.35 173.80 2kd0 s LEU 54 N 3.44 3.25 -0.21 3.17 1.43 -1.26 -0.86 118.68 127.63 2kd0 s LEU 54 Ca 0.29 0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.36 2kd0 s LEU 54 Cb -0.09 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 2kd0 s LEU 54 CO -0.01 -2.10 0.01 -0.63 0.23 0.00 0.00 176.35 173.85 2kd0 s ILE 55 N 7.44 4.01 -0.06 -0.59 1.01 -0.35 -1.87 121.20 130.79 2kd0 s ILE 55 Ca 0.53 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.91 2kd0 s ILE 55 Cb -0.11 -2.82 0.01 0.00 0.01 0.00 0.00 42.46 39.56 2kd0 s ILE 55 CO 0.19 0.42 -0.10 0.12 0.00 0.00 0.00 174.94 175.57 2kd0 s PHE 56 N 1.06 1.22 -1.46 3.97 5.36 0.33 -0.75 117.98 127.71 2kd0 s PHE 56 Ca 0.02 -0.42 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 2kd0 s PHE 56 Cb -0.14 -0.92 0.00 0.00 -0.34 0.00 0.00 43.02 41.61 2kd0 s PHE 56 CO 0.02 -0.24 0.00 1.63 -1.46 0.00 0.00 175.22 175.17 2kd0 n LYS 57 N 3.83 -1.17 -0.82 10.12 4.76 -1.26 -1.06 118.16 132.55 2kd0 n LYS 57 Ca -0.23 0.97 0.00 0.00 -2.87 0.00 0.00 58.31 56.17 2kd0 n LYS 57 Cb 0.52 -5.14 0.00 0.00 -1.84 0.00 0.00 35.03 28.57 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 -0.87 0.57 3.20 0.72 0.00 -1.26 -5.05 105.19 102.50 2kd0 n GLY 58 Ca -0.14 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 2kd0 n GLY 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kd0 s LYS 59 N -0.40 3.06 0.01 1.61 2.20 -0.22 -5.10 119.74 120.89 2kd0 s LYS 59 Ca 0.00 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.47 2kd0 s LYS 59 Cb 0.00 -2.44 -0.05 0.00 -1.51 0.00 0.00 37.83 33.84 2kd0 s LYS 59 CO 0.00 0.04 1.20 0.54 -0.36 0.00 0.00 175.35 176.77 2kd0 s VAL 60 N 0.70 4.14 0.08 4.02 0.11 -1.26 -0.51 120.40 127.68 2kd0 s VAL 60 Ca -0.09 1.51 -0.21 0.00 -2.93 0.00 0.00 61.98 60.26 2kd0 s VAL 60 Cb -0.16 -3.97 -0.07 0.00 -1.53 0.00 0.00 36.38 30.65 2kd0 s VAL 60 CO 0.01 0.07 0.61 -0.76 -3.33 0.00 0.00 175.10 171.69 2kd0 s LEU 61 N 1.57 4.52 0.26 2.54 2.01 -0.78 -4.98 118.68 123.83 2kd0 s LEU 61 Ca 0.58 1.31 -0.29 0.00 0.01 0.00 0.00 54.13 55.73 2kd0 s LEU 61 Cb -0.27 -2.97 -0.09 0.00 0.01 0.00 0.00 46.19 42.86 2kd0 s LEU 61 CO 0.26 0.23 1.13 -0.69 1.01 0.00 0.00 176.35 178.29 2kd0 s VAL 62 N -0.95 3.47 0.55 -1.59 1.01 -1.26 -4.88 120.40 116.75 2kd0 s VAL 62 Ca 0.31 1.42 0.26 0.00 0.00 0.00 0.00 61.98 63.97 2kd0 s VAL 62 Cb -0.20 -3.91 0.37 0.00 0.00 0.00 0.00 36.38 32.65 2kd0 s VAL 62 CO 0.20 0.32 2.03 -0.33 0.00 0.00 0.00 175.10 177.32 2kd0 h GLU 63 N 4.08 0.00 -0.00 2.72 5.08 -1.97 0.10 114.58 124.59 2kd0 h GLU 63 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2kd0 h GLU 63 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2kd0 h GLU 63 CO 0.68 0.00 -0.01 0.25 -1.00 0.00 0.00 179.01 178.94 2kd0 n THR 64 N -4.15 0.00 -3.71 1.13 -2.24 -1.26 -3.41 114.28 100.64 2kd0 n THR 64 Ca 0.06 -0.02 -0.37 0.00 -2.27 0.00 0.00 64.05 61.45 2kd0 n THR 64 Cb 0.48 -0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 2kd0 n THR 64 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kd0 s SER 65 N -2.12 6.51 0.90 3.42 0.01 0.35 -4.97 113.70 117.79 2kd0 s SER 65 Ca 0.43 0.60 -0.12 0.00 1.31 0.00 0.00 55.95 58.17 2kd0 s SER 65 Cb 0.22 -2.14 0.17 0.00 0.21 0.00 0.00 66.02 64.48 2kd0 s SER 65 CO 0.39 0.32 1.24 0.42 0.41 0.00 0.00 173.24 176.02 2kd0 s THR 66 N -0.72 2.04 0.18 1.44 -4.23 -1.26 -1.10 115.64 111.98 2kd0 s THR 66 Ca 0.17 -0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.44 2kd0 s THR 66 Cb -0.13 -2.91 0.09 0.00 1.34 0.00 0.00 72.50 70.89 2kd0 s THR 66 CO 0.06 0.00 1.73 -0.07 -0.54 0.00 0.00 174.62 175.80 2kd0 h LEU 67 N -1.35 0.90 -0.40 4.79 -0.00 -1.47 -1.55 115.31 116.22 2kd0 h LEU 67 Ca -0.43 -0.18 -0.01 0.00 -0.00 0.00 0.00 57.88 57.26 2kd0 h LEU 67 Cb 1.25 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 41.66 2kd0 h LEU 67 CO 0.41 0.84 0.21 0.50 -0.00 0.00 0.00 178.44 180.40 2kd0 h LYS 68 N 0.90 0.56 0.00 1.13 3.64 -1.73 0.24 116.57 121.31 2kd0 h LYS 68 Ca 0.21 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2kd0 h LYS 68 Cb 0.24 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2kd0 h LYS 68 CO -0.01 0.46 -0.18 1.96 -2.27 0.00 0.00 179.45 179.41 2kd0 h GLN 69 N 0.51 0.00 -0.21 1.90 4.20 -1.86 -1.57 115.11 118.08 2kd0 h GLN 69 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2kd0 h GLN 69 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2kd0 h GLN 69 CO -0.02 0.18 0.00 -1.13 -0.67 0.00 0.00 178.83 177.19 2kd0 n SER 70 N -4.13 1.99 -0.14 1.46 3.41 -0.60 -4.92 113.62 110.70 2kd0 n SER 70 Ca -0.02 -1.77 -0.02 0.00 -0.26 0.00 0.00 58.87 56.80 2kd0 n SER 70 Cb 0.26 -0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 2kd0 n SER 70 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kd0 n ASP 71 N 0.54 -4.39 -4.59 4.04 9.92 -0.53 -4.97 116.55 116.57 2kd0 n ASP 71 Ca 0.16 0.04 -0.43 0.00 -0.53 0.00 0.00 54.79 54.04 2kd0 n ASP 71 Cb 0.38 -2.05 -0.02 0.00 -0.64 0.00 0.00 41.12 38.79 2kd0 n ASP 71 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2kd0 s VAL 72 N -1.68 4.09 0.00 2.53 1.01 0.73 -4.98 120.40 122.10 2kd0 s VAL 72 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2kd0 s VAL 72 Cb 0.00 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.70 2kd0 s VAL 72 CO 0.00 -1.21 0.00 0.61 0.00 0.00 0.00 175.10 174.50 2kd0 n GLY 73 N 4.98 5.73 3.56 4.51 0.00 -1.26 -4.22 105.19 118.49 2kd0 n GLY 73 Ca 0.10 -2.00 -0.26 0.00 0.00 0.00 0.00 46.02 43.86 2kd0 n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kd0 s SER 74 N 0.40 4.93 0.00 1.61 1.04 -1.26 -3.66 113.70 116.76 2kd0 s SER 74 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2kd0 s SER 74 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2kd0 s SER 74 CO 0.00 -2.89 0.00 0.61 0.98 0.00 0.00 173.24 171.94 2kd0 n GLY 75 N 6.68 0.76 2.87 7.32 0.00 0.37 -4.82 105.19 118.38 2kd0 n GLY 75 Ca 0.39 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.43 0.69 -0.23 4.61 0.00 -1.12 -5.03 121.76 119.25 2kd0 s ALA 76 Ca 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 51.96 51.67 2kd0 s ALA 76 Cb 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 2kd0 s ALA 76 CO 0.00 -0.09 0.68 0.15 0.00 0.00 0.00 175.76 176.50 2kd0 s LYS 77 N 1.09 4.16 -0.30 0.00 1.02 -1.26 -0.80 119.74 123.65 2kd0 s LYS 77 Ca -0.08 0.67 -0.15 0.00 0.02 0.00 0.00 55.97 56.43 2kd0 s LYS 77 Cb -0.14 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.52 2kd0 s LYS 77 CO -0.01 -0.38 0.35 -0.51 -0.92 0.00 0.00 175.35 173.88 2kd0 s LEU 78 N 2.37 4.22 -1.07 3.17 1.43 0.25 -4.85 118.68 124.20 2kd0 s LEU 78 Ca 0.29 0.01 -0.22 0.00 -1.03 0.00 0.00 54.13 53.18 2kd0 s LEU 78 Cb -0.16 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.73 2kd0 s LEU 78 CO 0.09 -0.24 1.65 -0.32 0.23 0.00 0.00 176.35 177.75 2kd0 s MET 79 N 2.02 3.39 -0.70 1.70 -2.45 0.07 -2.35 119.30 120.98 2kd0 s MET 79 Ca 0.13 -1.16 -0.24 0.00 -1.25 0.00 0.00 55.69 53.17 2kd0 s MET 79 Cb -0.16 -5.33 0.06 0.00 1.25 0.00 0.00 34.83 30.65 2kd0 s MET 79 CO 0.11 -2.59 1.07 -1.17 1.05 0.00 0.00 175.02 173.49 2kd0 s LEU 80 N 6.27 4.07 -0.66 4.11 2.96 -1.25 -1.21 118.68 132.97 2kd0 s LEU 80 Ca 0.54 -0.91 -0.26 0.00 -0.22 0.00 0.00 54.13 53.28 2kd0 s LEU 80 Cb -0.00 -2.46 0.04 0.00 0.50 0.00 0.00 46.19 44.26 2kd0 s LEU 80 CO -0.02 -1.53 1.17 -0.32 -1.32 0.00 0.00 176.35 174.32 2kd0 s MET 81 N 4.47 3.28 0.28 1.98 -2.45 -0.04 -4.80 119.30 122.01 2kd0 s MET 81 Ca 0.27 -0.21 0.04 0.00 -1.25 0.00 0.00 55.69 54.54 2kd0 s MET 81 Cb -0.14 -4.13 -0.06 0.00 1.25 0.00 0.00 34.83 31.76 2kd0 s MET 81 CO 0.10 -1.90 0.02 0.00 1.05 0.00 0.00 175.02 174.29 2kd0 s ALA 82 N 5.06 2.11 -0.14 4.11 0.00 -1.26 -2.49 121.76 129.15 2kd0 s ALA 82 Ca 0.34 -1.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.35 2kd0 s ALA 82 Cb -0.10 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 2kd0 s ALA 82 CO 0.17 -0.26 0.02 -1.12 0.00 0.00 0.00 175.76 174.58 2kd0 s SER 83 N -3.40 5.33 0.36 0.00 0.01 -1.26 -4.99 113.70 109.75 2kd0 s SER 83 Ca 0.32 0.07 0.16 0.00 1.31 0.00 0.00 55.95 57.82 2kd0 s SER 83 Cb 0.07 -1.76 0.66 0.00 0.21 0.00 0.00 66.02 65.20 2kd0 s SER 83 CO 0.12 0.25 1.75 0.06 0.41 0.00 0.00 173.24 175.83 2kd0 h GLN 84 N 6.09 0.00 0.00 12.44 3.07 -2.02 -3.50 115.11 131.19 2kd0 h GLN 84 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.33 2kd0 h GLN 84 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 2kd0 h GLN 84 CO 0.63 0.42 0.00 0.41 0.09 0.00 0.00 178.83 180.37