#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 -0.39 2.68 -5.12 0.00 -1.26 -5.10 105.19 96.00 2kd0 n GLY 2 Ca 0.00 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.48 2kd0 n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kd0 s HIS 3 N -2.96 0.64 0.25 1.61 0.00 -1.26 -5.02 115.29 108.55 2kd0 s HIS 3 Ca 0.00 -0.61 0.03 0.00 -3.00 0.00 0.00 55.06 51.48 2kd0 s HIS 3 Cb 0.00 -0.87 0.31 0.00 -4.00 0.00 0.00 32.58 28.01 2kd0 s HIS 3 CO 0.00 -0.57 1.61 0.45 -1.00 0.00 0.00 174.74 175.23 2kd0 h HIS 4 N 8.32 0.39 -3.71 0.38 -0.00 -2.09 -3.45 115.15 115.00 2kd0 h HIS 4 Ca -0.16 -0.13 -0.48 0.00 -0.00 0.00 0.00 60.37 59.61 2kd0 h HIS 4 Cb 1.13 -0.08 0.06 0.00 -0.00 0.00 0.00 27.41 28.52 2kd0 h HIS 4 CO 0.22 0.76 0.19 -1.01 -0.00 0.00 0.00 177.93 178.09 2kd0 s HIS 5 N -4.00 3.24 0.04 2.45 0.09 -1.26 -5.07 115.29 110.77 2kd0 s HIS 5 Ca -0.05 0.66 -0.12 0.00 -0.00 0.00 0.00 55.06 55.55 2kd0 s HIS 5 Cb 0.12 -2.79 -0.06 0.00 -0.00 0.00 0.00 32.58 29.86 2kd0 s HIS 5 CO 0.80 -0.88 0.40 -1.01 -0.00 0.00 0.00 174.74 174.04 2kd0 s HIS 6 N -3.03 3.65 -0.29 1.40 4.02 -1.26 -5.02 115.29 114.76 2kd0 s HIS 6 Ca 0.55 0.88 -0.30 0.00 1.02 0.00 0.00 55.06 57.20 2kd0 s HIS 6 Cb -0.11 -2.21 -0.07 0.00 -1.02 0.00 0.00 32.58 29.17 2kd0 s HIS 6 CO 0.46 0.58 2.23 1.58 1.02 0.00 0.00 174.74 180.61 2kd0 n HIS 7 N 1.36 1.79 -0.22 1.40 -0.00 -1.26 -4.86 115.22 113.43 2kd0 n HIS 7 Ca -0.11 0.03 0.01 0.00 -0.00 0.00 0.00 57.72 57.65 2kd0 n HIS 7 Cb 0.52 -2.65 0.25 0.00 -0.00 0.00 0.00 29.99 28.11 2kd0 n HIS 7 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kd0 h HIS 8 N 14.44 0.95 -3.24 1.57 2.76 -2.07 -3.41 115.15 126.14 2kd0 h HIS 8 Ca -0.35 0.02 -0.53 0.00 -2.20 0.00 0.00 60.37 57.32 2kd0 h HIS 8 Cb 1.27 -0.32 0.06 0.00 1.55 0.00 0.00 27.41 29.97 2kd0 h HIS 8 CO 0.95 0.59 0.82 -1.12 -1.30 0.00 0.00 177.93 177.86 2kd0 s SER 9 N -6.34 6.57 0.32 3.26 0.01 -1.26 -4.90 113.70 111.37 2kd0 s SER 9 Ca -0.11 2.72 -0.28 0.00 1.31 0.00 0.00 55.95 59.59 2kd0 s SER 9 Cb 0.18 -2.62 -0.13 0.00 0.21 0.00 0.00 66.02 63.66 2kd0 s SER 9 CO 0.78 -0.78 1.14 0.00 0.41 0.00 0.00 173.24 174.79 2kd0 n HIS 10 N 2.67 1.73 -3.39 2.43 -0.00 -1.26 -5.01 115.22 112.40 2kd0 n HIS 10 Ca 0.09 0.63 0.00 0.00 -0.00 0.00 0.00 57.72 58.44 2kd0 n HIS 10 Cb 0.39 -2.33 0.00 0.00 -0.00 0.00 0.00 29.99 28.06 2kd0 n HIS 10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kd0 n SER 11 N 0.99 1.16 -4.83 4.39 7.64 -1.26 -5.10 113.62 116.60 2kd0 n SER 11 Ca 0.07 -0.81 -0.22 0.00 1.01 0.00 0.00 58.87 58.93 2kd0 n SER 11 Cb 0.34 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.50 2kd0 n SER 11 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2kd0 s THR 12 N 0.15 3.84 0.03 0.44 -4.23 -1.26 -4.19 115.64 110.42 2kd0 s THR 12 Ca 0.00 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.11 2kd0 s THR 12 Cb 0.00 -3.25 -0.02 0.00 1.34 0.00 0.00 72.50 70.57 2kd0 s THR 12 CO 0.00 -0.24 -0.06 0.27 -0.54 0.00 0.00 174.62 174.05 2kd0 s ILE 13 N -2.25 0.36 -0.40 2.99 -4.36 0.70 -4.90 121.20 113.33 2kd0 s ILE 13 Ca 0.38 -1.03 -0.28 0.00 -0.26 0.00 0.00 60.65 59.45 2kd0 s ILE 13 Cb -0.06 -0.49 0.02 0.00 1.25 0.00 0.00 42.46 43.18 2kd0 s ILE 13 CO 0.26 -0.45 1.07 -0.54 0.24 0.00 0.00 174.94 175.52 2kd0 s LYS 14 N -1.59 3.86 -0.15 0.37 1.02 -1.26 -2.18 119.74 119.81 2kd0 s LYS 14 Ca -0.12 0.74 -0.01 0.00 0.02 0.00 0.00 55.97 56.60 2kd0 s LYS 14 Cb -0.10 -3.83 -0.01 0.00 -0.52 0.00 0.00 37.83 33.37 2kd0 s LYS 14 CO -0.00 -1.13 -0.11 -0.51 -0.92 0.00 0.00 175.35 172.68 2kd0 s LEU 15 N 3.97 2.76 -0.84 3.17 1.02 -0.43 -0.80 118.68 127.53 2kd0 s LEU 15 Ca 0.45 -0.34 -0.16 0.00 0.02 0.00 0.00 54.13 54.10 2kd0 s LEU 15 Cb -0.10 -1.64 0.18 0.00 0.02 0.00 0.00 46.19 44.65 2kd0 s LEU 15 CO 0.23 0.13 0.88 -0.89 0.02 0.00 0.00 176.35 176.72 2kd0 s THR 16 N 0.59 5.23 -0.55 5.49 2.01 -0.18 -0.87 115.64 127.37 2kd0 s THR 16 Ca -0.07 -2.02 -0.24 0.00 0.31 0.00 0.00 61.69 59.67 2kd0 s THR 16 Cb -0.15 -4.58 0.04 0.00 0.01 0.00 0.00 72.50 67.82 2kd0 s THR 16 CO 0.03 -1.20 0.93 -0.69 -0.69 0.00 0.00 174.62 173.00 2kd0 s VAL 17 N 1.28 4.41 -0.54 3.82 1.01 0.08 -0.77 120.40 129.68 2kd0 s VAL 17 Ca 0.22 0.28 -0.21 0.00 0.00 0.00 0.00 61.98 62.27 2kd0 s VAL 17 Cb -0.10 -4.53 0.06 0.00 0.00 0.00 0.00 36.38 31.81 2kd0 s VAL 17 CO -0.08 -1.09 0.77 -0.54 0.00 0.00 0.00 175.10 174.16 2kd0 s LYS 18 N 3.90 3.18 -1.21 2.72 1.02 0.05 -0.25 119.74 129.15 2kd0 s LYS 18 Ca 0.30 -0.72 -0.20 0.00 0.02 0.00 0.00 55.97 55.37 2kd0 s LYS 18 Cb -0.13 -4.11 0.04 0.00 -0.52 0.00 0.00 37.83 33.11 2kd0 s LYS 18 CO 0.19 -1.39 1.71 -0.06 -0.92 0.00 0.00 175.35 174.88 2kd0 s PHE 19 N 3.20 2.58 -1.55 3.18 0.40 0.91 -0.29 117.98 126.41 2kd0 s PHE 19 Ca 0.20 -1.09 -0.08 0.00 -0.60 0.00 0.00 56.93 55.37 2kd0 s PHE 19 Cb -0.17 -4.62 0.07 0.00 0.51 0.00 0.00 43.02 38.81 2kd0 s PHE 19 CO 0.14 -1.75 0.53 0.41 0.70 0.00 0.00 175.22 175.25 2kd0 n GLY 20 N 5.83 -0.31 0.00 4.36 0.00 -0.84 -1.30 105.19 112.94 2kd0 n GLY 20 Ca 0.45 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.79 1.68 3.55 -0.02 0.00 -1.26 -5.05 105.19 102.30 2kd0 n GLY 21 Ca -0.15 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 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 3.02 -0.59 1.61 -0.14 -0.42 -4.96 119.74 118.26 2kd0 s LYS 22 Ca 0.00 -0.04 -0.27 0.00 -1.36 0.00 0.00 55.97 54.29 2kd0 s LYS 22 Cb 0.00 -4.37 0.01 0.00 -1.68 0.00 0.00 37.83 31.79 2kd0 s LYS 22 CO 0.00 -2.39 1.51 -1.54 -0.76 0.00 0.00 175.35 172.17 2kd0 s SER 23 N 5.37 5.94 -0.49 2.83 1.04 -1.26 -0.06 113.70 127.06 2kd0 s SER 23 Ca 0.47 0.23 -0.17 0.00 0.48 0.00 0.00 55.95 56.97 2kd0 s SER 23 Cb -0.09 -2.54 0.07 0.00 0.10 0.00 0.00 66.02 63.56 2kd0 s SER 23 CO 0.14 -1.87 0.49 -0.63 0.98 0.00 0.00 173.24 172.35 2kd0 s ILE 24 N 6.69 5.11 -0.44 -1.02 -1.09 0.65 -4.93 121.20 126.16 2kd0 s ILE 24 Ca 0.54 -0.92 -0.29 0.00 -2.23 0.00 0.00 60.65 57.75 2kd0 s ILE 24 Cb -0.11 -4.21 0.03 0.00 -1.58 0.00 0.00 42.46 36.58 2kd0 s ILE 24 CO 0.23 -0.69 1.10 -2.16 -1.23 0.00 0.00 174.94 172.19 2kd0 s PRO 25 N 1.98 3.78 0.43 2.79 0.04 -1.26 -0.74 135.00 142.02 2kd0 s PRO 25 Ca 0.08 0.63 0.04 0.00 0.04 0.00 0.00 61.00 61.79 2kd0 s PRO 25 Cb -0.23 -3.87 -0.05 0.00 0.04 0.00 0.00 34.50 30.38 2kd0 s PRO 25 CO 0.08 -1.27 0.02 -0.51 0.04 0.00 0.00 177.00 175.37 2kd0 s LEU 26 N 4.22 2.52 -0.31 -3.56 1.43 -0.05 -5.00 118.68 117.93 2kd0 s LEU 26 Ca 0.46 -1.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.06 2kd0 s LEU 26 Cb -0.08 -0.71 0.13 0.00 0.03 0.00 0.00 46.19 45.56 2kd0 s LEU 26 CO 0.28 -0.64 0.23 -0.44 0.23 0.00 0.00 176.35 176.01 2kd0 s SER 27 N -3.72 2.53 0.50 2.29 0.01 -1.26 -1.32 113.70 112.72 2kd0 s SER 27 Ca 0.25 -1.37 0.03 0.00 1.31 0.00 0.00 55.95 56.18 2kd0 s SER 27 Cb 0.06 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 2kd0 s SER 27 CO 0.13 -0.37 0.11 0.68 0.41 0.00 0.00 173.24 174.19 2kd0 s VAL 28 N 1.86 1.49 -0.05 3.43 -7.23 -0.93 -4.71 120.40 114.27 2kd0 s VAL 28 Ca 0.12 -1.85 -0.23 0.00 -1.81 0.00 0.00 61.98 58.21 2kd0 s VAL 28 Cb -0.17 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 2kd0 s VAL 28 CO -0.23 0.00 0.69 -0.44 -0.31 0.00 0.00 175.10 174.81 2kd0 s SER 29 N -3.95 7.00 0.58 4.85 0.01 -1.26 -0.22 113.70 120.71 2kd0 s SER 29 Ca 0.19 1.20 0.33 0.00 1.31 0.00 0.00 55.95 58.99 2kd0 s SER 29 Cb 0.02 -2.41 1.75 0.00 0.21 0.00 0.00 66.02 65.60 2kd0 s SER 29 CO 0.11 -0.06 2.17 1.55 0.41 0.00 0.00 173.24 177.41 2kd0 h PRO 30 N 6.47 0.00 0.00 12.44 0.13 -1.93 -2.05 132.00 147.06 2kd0 h PRO 30 Ca -0.42 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 2kd0 h PRO 30 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kd0 h PRO 30 CO 0.74 0.05 -0.08 -0.44 -0.23 0.00 0.00 178.00 178.04 2kd0 h ASP 31 N 0.00 0.00 -4.33 1.44 5.19 -1.93 0.92 116.42 117.72 2kd0 h ASP 31 Ca -0.00 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.90 2kd0 h ASP 31 Cb 0.23 0.00 0.10 0.00 0.18 0.00 0.00 39.33 39.84 2kd0 h ASP 31 CO 0.01 0.08 0.36 0.00 -3.12 0.00 0.00 179.24 176.56 2kd0 s THR 33 N -3.03 5.00 0.52 0.00 -4.23 -1.26 -2.01 115.64 110.63 2kd0 s THR 33 Ca 0.59 -0.01 0.28 0.00 -1.18 0.00 0.00 61.69 61.37 2kd0 s THR 33 Cb -0.15 -3.80 0.32 0.00 1.34 0.00 0.00 72.50 70.21 2kd0 s THR 33 CO 0.55 -0.54 2.18 -0.37 -0.54 0.00 0.00 174.62 175.90 2kd0 h VAL 34 N 0.88 0.57 -0.26 2.29 -1.51 -1.18 -1.34 116.25 115.70 2kd0 h VAL 34 Ca -0.48 -0.22 -0.14 0.00 -1.23 0.00 0.00 66.70 64.63 2kd0 h VAL 34 Cb 1.20 1.14 -0.00 0.00 -2.13 0.00 0.00 31.29 31.50 2kd0 h VAL 34 CO 0.63 0.05 -0.39 0.50 -1.23 0.00 0.00 177.57 177.13 2kd0 h LYS 35 N 0.00 0.72 -0.91 5.19 3.64 -1.80 -1.96 116.57 121.44 2kd0 h LYS 35 Ca -0.00 -0.43 0.10 0.00 -1.27 0.00 0.00 60.65 59.05 2kd0 h LYS 35 Cb 0.13 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 31.92 2kd0 h LYS 35 CO 0.01 1.05 0.56 0.22 -2.27 0.00 0.00 179.45 179.01 2kd0 h ASP 36 N 0.45 0.82 0.65 4.20 3.58 -1.57 0.19 116.42 124.74 2kd0 h ASP 36 Ca 0.02 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 2kd0 h ASP 36 Cb 0.98 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.92 2kd0 h ASP 36 CO 0.09 0.47 -0.31 -0.07 -2.88 0.00 0.00 179.24 176.53 2kd0 h LEU 37 N 0.92 -0.74 -2.44 2.28 3.38 -1.37 -0.87 115.31 116.48 2kd0 h LEU 37 Ca 0.44 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.43 2kd0 h LEU 37 Cb 0.38 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kd0 h LEU 37 CO -0.24 -0.48 0.10 0.11 0.09 0.00 0.00 178.44 178.02 2kd0 h LYS 38 N -0.95 0.00 0.04 1.13 1.57 -0.80 0.18 116.57 117.74 2kd0 h LYS 38 Ca -0.09 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 2kd0 h LYS 38 Cb 0.69 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.02 2kd0 h LYS 38 CO 0.15 0.00 -0.74 1.03 -0.57 0.00 0.00 179.45 179.32 2kd0 h SER 39 N 0.00 0.59 0.00 0.86 0.87 -0.46 -3.22 113.55 112.19 2kd0 h SER 39 Ca 0.03 -0.80 -0.11 0.00 -1.23 0.00 0.00 61.79 59.68 2kd0 h SER 39 Cb 0.24 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2kd0 h SER 39 CO -0.00 1.32 -0.33 1.56 -0.53 0.00 0.00 176.83 178.85 2kd0 h GLN 40 N -0.07 0.46 0.00 2.24 4.20 0.33 -2.94 115.11 119.32 2kd0 h GLN 40 Ca -0.10 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2kd0 h GLN 40 Cb 1.46 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.23 2kd0 h GLN 40 CO 0.14 0.74 0.00 -0.07 -0.67 0.00 0.00 178.83 178.97 2kd0 h LEU 41 N 0.40 0.00 0.20 1.46 3.38 -0.81 -3.31 115.31 116.64 2kd0 h LEU 41 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2kd0 h LEU 41 Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 2kd0 h LEU 41 CO 0.06 0.00 -0.12 1.56 0.09 0.00 0.00 178.44 180.03 2kd0 h GLN 42 N 0.00 -0.30 0.00 1.13 4.20 -1.52 0.69 115.11 119.31 2kd0 h GLN 42 Ca 0.00 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 2kd0 h GLN 42 Cb 0.39 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2kd0 h GLN 42 CO 0.00 -0.20 -0.21 -1.35 -0.67 0.00 0.00 178.83 176.40 2kd0 h PRO 43 N -0.31 0.00 0.05 1.46 0.11 -1.77 0.26 132.00 131.80 2kd0 h PRO 43 Ca -0.02 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.86 2kd0 h PRO 43 Cb 0.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 2kd0 h PRO 43 CO 0.03 0.21 -1.04 0.82 -0.21 0.00 0.00 178.00 177.80 2kd0 h ILE 44 N 0.00 1.53 0.00 4.15 2.04 -1.51 -3.39 117.51 120.33 2kd0 h ILE 44 Ca -0.00 -2.91 0.00 0.00 1.00 0.00 0.00 64.86 62.95 2kd0 h ILE 44 Cb 0.62 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 2kd0 h ILE 44 CO 0.03 0.85 -0.01 0.41 0.00 0.00 0.00 178.15 179.42 2kd0 n THR 45 N -3.57 0.00 -2.69 -0.27 -1.04 0.18 -5.09 114.28 101.81 2kd0 n THR 45 Ca -0.05 -0.26 -0.03 0.00 -2.04 0.00 0.00 64.05 61.67 2kd0 n THR 45 Cb 0.91 0.98 0.00 0.00 -1.82 0.00 0.00 70.33 70.41 2kd0 n THR 45 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2kd0 n ASN 46 N -0.54 -7.63 -3.58 8.00 3.02 0.91 -5.05 115.26 110.39 2kd0 n ASN 46 Ca 0.00 1.00 -0.13 0.00 -0.03 0.00 0.00 54.58 55.43 2kd0 n ASN 46 Cb 0.00 -5.10 -0.06 0.00 -0.61 0.00 0.00 39.78 34.01 2kd0 n ASN 46 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kd0 s VAL 47 N -1.93 0.00 0.36 2.41 0.11 -1.24 -5.06 120.40 115.04 2kd0 s VAL 47 Ca 0.10 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 58.96 2kd0 s VAL 47 Cb -0.03 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.73 2kd0 s VAL 47 CO 0.73 0.00 0.83 -0.76 -3.33 0.00 0.00 175.10 172.57 2kd0 s LEU 48 N -0.70 4.05 0.56 2.54 1.43 -1.26 -4.49 118.68 120.81 2kd0 s LEU 48 Ca -0.03 1.48 0.24 0.00 -1.03 0.00 0.00 54.13 54.79 2kd0 s LEU 48 Cb -0.02 -4.22 1.57 0.00 0.03 0.00 0.00 46.19 43.56 2kd0 s LEU 48 CO 0.02 -0.24 2.20 1.55 0.23 0.00 0.00 176.35 180.12 2kd0 h PRO 49 N 2.27 0.00 -0.03 1.29 0.13 -1.91 -0.67 132.00 133.08 2kd0 h PRO 49 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kd0 h PRO 49 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kd0 h PRO 49 CO 0.64 0.01 0.01 -0.09 -0.23 0.00 0.00 178.00 178.33 2kd0 h ARG 50 N 0.00 0.05 -0.55 0.86 2.43 -1.95 -3.29 114.38 111.93 2kd0 h ARG 50 Ca -0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2kd0 h ARG 50 Cb 0.02 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2kd0 h ARG 50 CO 0.00 0.26 0.30 0.78 -1.51 0.00 0.00 179.97 179.80 2kd0 h GLY 51 N -0.17 0.82 -5.96 2.80 0.00 -1.35 -3.42 103.07 95.80 2kd0 h GLY 51 Ca 0.01 -0.37 -0.57 0.00 0.00 0.00 0.00 47.33 46.40 2kd0 h GLY 51 CO 0.00 0.36 1.08 1.20 0.00 0.00 0.00 176.54 179.18 2kd0 s GLN 52 N -5.84 3.86 -0.30 4.80 -0.21 -0.38 -1.77 119.66 119.81 2kd0 s GLN 52 Ca -0.13 1.59 0.03 0.00 0.02 0.00 0.00 55.36 56.87 2kd0 s GLN 52 Cb 0.12 -3.99 0.08 0.00 1.00 0.00 0.00 33.01 30.23 2kd0 s GLN 52 CO 0.76 -1.21 -0.01 0.15 -2.12 0.00 0.00 175.29 172.86 2kd0 s LYS 53 N 4.48 1.74 -0.33 2.91 1.02 -0.34 -4.90 119.74 124.32 2kd0 s LYS 53 Ca 0.67 -1.61 -0.29 0.00 0.02 0.00 0.00 55.97 54.77 2kd0 s LYS 53 Cb -0.23 -3.01 0.01 0.00 -0.52 0.00 0.00 37.83 34.07 2kd0 s LYS 53 CO 0.27 -0.79 1.27 -0.51 -0.92 0.00 0.00 175.35 174.68 2kd0 s LEU 54 N 1.03 3.83 -0.29 3.17 1.43 -1.26 -0.72 118.68 125.86 2kd0 s LEU 54 Ca 0.03 1.08 0.02 0.00 -1.03 0.00 0.00 54.13 54.23 2kd0 s LEU 54 Cb -0.19 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.55 2kd0 s LEU 54 CO -0.07 -1.11 -0.04 -0.63 0.23 0.00 0.00 176.35 174.72 2kd0 s ILE 55 N 4.41 2.43 -0.17 -0.59 1.01 -0.04 -1.46 121.20 126.79 2kd0 s ILE 55 Ca 0.55 -1.72 -0.04 0.00 0.00 0.00 0.00 60.65 59.44 2kd0 s ILE 55 Cb -0.15 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 2kd0 s ILE 55 CO 0.24 -0.18 -0.04 0.12 0.00 0.00 0.00 174.94 175.08 2kd0 s PHE 56 N 1.10 2.99 -1.56 3.97 5.36 0.53 -2.22 117.98 128.14 2kd0 s PHE 56 Ca -0.04 -0.48 0.00 0.00 -0.96 0.00 0.00 56.93 55.45 2kd0 s PHE 56 Cb -0.20 -1.99 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 2kd0 s PHE 56 CO -0.05 -0.18 0.00 1.63 -1.46 0.00 0.00 175.22 175.16 2kd0 n LYS 57 N 3.88 -1.77 -0.65 10.12 4.76 -1.26 -1.00 118.16 132.24 2kd0 n LYS 57 Ca -0.18 0.88 0.00 0.00 -2.87 0.00 0.00 58.31 56.14 2kd0 n LYS 57 Cb 0.52 -5.42 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 -0.74 0.73 3.37 0.72 0.00 -1.26 -5.06 105.19 102.95 2kd0 n GLY 58 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.35 2.49 0.05 1.61 2.20 -0.17 -5.09 119.74 120.47 2kd0 s LYS 59 Ca 0.00 -0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 54.51 2kd0 s LYS 59 Cb 0.00 -2.25 -0.05 0.00 -1.51 0.00 0.00 37.83 34.02 2kd0 s LYS 59 CO 0.00 0.50 0.92 0.08 -0.36 0.00 0.00 175.35 176.50 2kd0 s VAL 60 N -0.44 4.71 -0.16 4.02 1.01 -1.26 -0.35 120.40 127.93 2kd0 s VAL 60 Ca 0.05 1.96 -0.18 0.00 0.00 0.00 0.00 61.98 63.81 2kd0 s VAL 60 Cb -0.12 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 2kd0 s VAL 60 CO 0.01 0.26 0.49 -0.76 0.00 0.00 0.00 175.10 175.10 2kd0 s LEU 61 N 0.44 4.21 0.36 3.92 2.01 -0.54 -4.97 118.68 124.11 2kd0 s LEU 61 Ca 0.47 0.73 -0.27 0.00 0.01 0.00 0.00 54.13 55.07 2kd0 s LEU 61 Cb -0.22 -2.69 -0.09 0.00 0.01 0.00 0.00 46.19 43.21 2kd0 s LEU 61 CO 0.27 -0.09 1.18 -0.69 1.01 0.00 0.00 176.35 178.04 2kd0 s VAL 62 N 1.14 3.13 0.58 -1.59 1.01 -1.26 -4.78 120.40 118.64 2kd0 s VAL 62 Ca 0.25 1.02 0.28 0.00 0.00 0.00 0.00 61.98 63.53 2kd0 s VAL 62 Cb -0.15 -3.61 0.37 0.00 0.00 0.00 0.00 36.38 32.99 2kd0 s VAL 62 CO 0.10 0.16 2.03 -0.33 0.00 0.00 0.00 175.10 177.06 2kd0 h GLU 63 N 3.02 0.00 0.00 2.72 5.08 -1.97 0.10 114.58 123.53 2kd0 h GLU 63 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2kd0 h GLU 63 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2kd0 h GLU 63 CO 0.64 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.90 2kd0 n THR 64 N -3.86 0.24 -3.27 1.13 -2.24 -1.26 -3.58 114.28 101.45 2kd0 n THR 64 Ca 0.04 0.06 -0.38 0.00 -2.27 0.00 0.00 64.05 61.50 2kd0 n THR 64 Cb 0.45 -0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.79 7.06 0.32 3.42 0.01 0.35 -4.96 113.70 117.11 2kd0 s SER 65 Ca 0.18 1.27 0.02 0.00 1.31 0.00 0.00 55.95 58.72 2kd0 s SER 65 Cb 0.17 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 2kd0 s SER 65 CO 0.42 0.26 0.50 0.42 0.41 0.00 0.00 173.24 175.26 2kd0 s THR 66 N -1.13 5.14 0.34 1.44 -4.23 -1.26 -0.87 115.64 115.07 2kd0 s THR 66 Ca 0.30 -0.59 0.03 0.00 -1.18 0.00 0.00 61.69 60.25 2kd0 s THR 66 Cb -0.19 -3.86 0.22 0.00 1.34 0.00 0.00 72.50 70.00 2kd0 s THR 66 CO 0.19 -0.50 1.94 -0.07 -0.54 0.00 0.00 174.62 175.65 2kd0 h LEU 67 N 0.87 0.65 -1.25 4.79 -0.00 -1.10 -1.29 115.31 117.99 2kd0 h LEU 67 Ca -0.50 -0.06 -0.07 0.00 -0.00 0.00 0.00 57.88 57.24 2kd0 h LEU 67 Cb 1.22 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.70 2kd0 h LEU 67 CO 0.61 0.56 -0.28 0.50 -0.00 0.00 0.00 178.44 179.84 2kd0 h LYS 68 N 0.73 0.15 0.05 1.13 3.64 -1.03 -0.53 116.57 120.71 2kd0 h LYS 68 Ca 0.18 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.28 2kd0 h LYS 68 Cb 0.09 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2kd0 h LYS 68 CO -0.02 0.43 -1.07 1.96 -2.27 0.00 0.00 179.45 178.48 2kd0 h GLN 69 N 0.14 0.15 -0.80 1.90 4.20 -1.62 -3.33 115.11 115.75 2kd0 h GLN 69 Ca 0.02 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.41 2kd0 h GLN 69 Cb 0.58 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.38 2kd0 h GLN 69 CO 0.04 1.08 0.11 0.43 -0.67 0.00 0.00 178.83 179.82 2kd0 n SER 70 N -3.49 3.93 -1.16 1.46 7.64 -0.56 -4.88 113.62 116.55 2kd0 n SER 70 Ca -0.04 -2.72 -0.15 0.00 1.01 0.00 0.00 58.87 56.96 2kd0 n SER 70 Cb 0.94 -0.65 -0.07 0.00 -1.01 0.00 0.00 64.21 63.43 2kd0 n SER 70 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kd0 n ASP 71 N 0.15 -5.23 -4.69 6.43 9.92 -1.16 -4.96 116.55 117.01 2kd0 n ASP 71 Ca 0.24 0.38 -0.42 0.00 -0.53 0.00 0.00 54.79 54.45 2kd0 n ASP 71 Cb 0.98 -4.07 -0.03 0.00 -0.64 0.00 0.00 41.12 37.35 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 -2.43 4.84 0.00 2.53 1.01 -0.23 -5.02 120.40 121.11 2kd0 s VAL 72 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.84 2kd0 s VAL 72 Cb 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2kd0 s VAL 72 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2kd0 n GLY 73 N 3.19 3.83 3.56 4.51 0.00 -1.26 -4.43 105.19 114.60 2kd0 n GLY 73 Ca 0.06 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 2kd0 n GLY 73 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kd0 n SER 74 N -1.88 2.67 0.00 1.61 2.88 -1.26 -1.16 113.62 116.47 2kd0 n SER 74 Ca 0.00 -0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2kd0 n SER 74 Cb 0.00 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 61.92 2kd0 n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kd0 n GLY 75 N 5.95 1.09 3.75 0.46 0.00 0.02 -4.82 105.19 111.64 2kd0 n GLY 75 Ca 0.35 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 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 3.35 -0.17 4.61 0.00 -0.31 -4.89 121.76 122.35 2kd0 s ALA 76 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2kd0 s ALA 76 Cb 0.00 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.86 2kd0 s ALA 76 CO 0.00 0.03 -0.16 0.15 0.00 0.00 0.00 175.76 175.78 2kd0 s LYS 77 N -0.95 3.14 -0.28 0.00 1.02 -1.26 -1.01 119.74 120.40 2kd0 s LYS 77 Ca 0.44 -0.77 -0.06 0.00 0.02 0.00 0.00 55.97 55.60 2kd0 s LYS 77 Cb -0.28 -2.63 0.01 0.00 -0.52 0.00 0.00 37.83 34.41 2kd0 s LYS 77 CO 0.34 -0.08 0.05 -0.51 -0.92 0.00 0.00 175.35 174.23 2kd0 s LEU 78 N 1.04 3.65 -0.65 3.17 1.43 0.05 -4.75 118.68 122.62 2kd0 s LEU 78 Ca -0.01 -0.68 -0.27 0.00 -1.03 0.00 0.00 54.13 52.14 2kd0 s LEU 78 Cb -0.15 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.24 2kd0 s LEU 78 CO -0.04 -0.16 1.59 -0.32 0.23 0.00 0.00 176.35 177.65 2kd0 s MET 79 N 1.48 2.94 -0.56 1.70 -2.45 -0.94 -0.77 119.30 120.70 2kd0 s MET 79 Ca 0.03 0.30 -0.18 0.00 -1.25 0.00 0.00 55.69 54.58 2kd0 s MET 79 Cb -0.17 -4.27 0.09 0.00 1.25 0.00 0.00 34.83 31.73 2kd0 s MET 79 CO 0.01 -2.40 0.65 -1.17 1.05 0.00 0.00 175.02 173.16 2kd0 s LEU 80 N 7.42 5.35 -1.03 4.11 2.96 0.60 -0.86 118.68 137.23 2kd0 s LEU 80 Ca 0.54 -1.31 -0.23 0.00 -0.22 0.00 0.00 54.13 52.91 2kd0 s LEU 80 Cb -0.11 -2.33 0.03 0.00 0.50 0.00 0.00 46.19 44.28 2kd0 s LEU 80 CO 0.19 -1.00 1.60 -0.32 -1.32 0.00 0.00 176.35 175.50 2kd0 s MET 81 N 2.52 3.38 -0.67 1.98 -2.45 0.10 -1.98 119.30 122.17 2kd0 s MET 81 Ca 0.11 -1.03 -0.17 0.00 -1.25 0.00 0.00 55.69 53.36 2kd0 s MET 81 Cb -0.23 -5.31 0.15 0.00 1.25 0.00 0.00 34.83 30.68 2kd0 s MET 81 CO 0.08 -2.52 0.69 0.00 1.05 0.00 0.00 175.02 174.32 2kd0 s ALA 82 N 6.17 3.67 -0.20 4.11 0.00 -1.25 -1.20 121.76 133.07 2kd0 s ALA 82 Ca 0.53 -2.69 -0.02 0.00 0.00 0.00 0.00 51.96 49.78 2kd0 s ALA 82 Cb -0.01 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2kd0 s ALA 82 CO -0.06 -2.28 -0.11 -1.12 0.00 0.00 0.00 175.76 172.19 2kd0 s SER 83 N 3.21 3.79 0.00 0.00 0.01 -0.73 -4.89 113.70 115.09 2kd0 s SER 83 Ca 0.12 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2kd0 s SER 83 Cb -0.20 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.40 2kd0 s SER 83 CO -0.00 -0.01 0.00 0.00 0.41 0.00 0.00 173.24 173.63 2kd0 n GLN 84 N 4.72 0.00 0.00 12.44 1.13 -1.26 -4.00 117.38 130.41 2kd0 n GLN 84 Ca -0.19 0.30 0.07 0.00 -1.94 0.00 0.00 57.00 55.24 2kd0 n GLN 84 Cb 0.50 -0.80 0.43 0.00 0.11 0.00 0.00 30.24 30.48 2kd0 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03