#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd0 s GLY 2 N 0.00 1.14 0.14 3.03 0.00 -1.26 -5.12 107.32 105.25 2kd0 s GLY 2 Ca 0.00 -0.89 -0.20 0.00 0.00 0.00 0.00 44.72 43.63 2kd0 s GLY 2 CO 0.00 0.38 0.65 0.30 0.00 0.00 0.00 173.10 174.43 2kd0 s HIS 3 N 1.28 3.75 -0.15 1.90 0.09 -1.26 -5.08 115.29 115.83 2kd0 s HIS 3 Ca 0.01 1.34 -0.01 0.00 -0.00 0.00 0.00 55.06 56.40 2kd0 s HIS 3 Cb -0.14 -2.56 0.04 0.00 -0.00 0.00 0.00 32.58 29.92 2kd0 s HIS 3 CO -0.08 0.48 -0.05 -1.01 -0.00 0.00 0.00 174.74 174.08 2kd0 s HIS 4 N -1.29 1.58 -0.27 1.40 4.02 -1.26 -5.10 115.29 114.38 2kd0 s HIS 4 Ca 0.36 -0.95 0.01 0.00 1.02 0.00 0.00 55.06 55.50 2kd0 s HIS 4 Cb -0.19 -1.26 0.07 0.00 -1.02 0.00 0.00 32.58 30.18 2kd0 s HIS 4 CO 0.21 -0.58 -0.02 -1.58 1.02 0.00 0.00 174.74 173.79 2kd0 s HIS 5 N 1.67 2.66 -0.16 1.40 5.65 -1.26 -5.10 115.29 120.16 2kd0 s HIS 5 Ca 0.02 -2.06 -0.29 0.00 0.25 0.00 0.00 55.06 52.97 2kd0 s HIS 5 Cb -0.14 -1.91 -0.03 0.00 -1.18 0.00 0.00 32.58 29.32 2kd0 s HIS 5 CO -0.08 -0.83 1.57 -1.01 -0.65 0.00 0.00 174.74 173.74 2kd0 s HIS 6 N 1.30 2.19 -0.47 3.88 4.02 -1.26 -4.97 115.29 119.97 2kd0 s HIS 6 Ca -0.00 0.51 -0.20 0.00 1.02 0.00 0.00 55.06 56.38 2kd0 s HIS 6 Cb -0.19 -3.88 0.03 0.00 -1.02 0.00 0.00 32.58 27.52 2kd0 s HIS 6 CO -0.09 -3.02 0.66 -1.58 1.02 0.00 0.00 174.74 171.72 2kd0 s HIS 7 N 4.54 3.04 0.17 1.40 5.65 -1.26 -5.05 115.29 123.78 2kd0 s HIS 7 Ca 0.69 -0.20 -0.30 0.00 0.25 0.00 0.00 55.06 55.50 2kd0 s HIS 7 Cb -0.27 -3.45 -0.08 0.00 -1.18 0.00 0.00 32.58 27.60 2kd0 s HIS 7 CO 0.27 -0.95 1.14 -1.01 -0.65 0.00 0.00 174.74 173.54 2kd0 s HIS 8 N 2.85 3.52 0.03 3.88 0.09 -1.26 -5.01 115.29 119.39 2kd0 s HIS 8 Ca 0.21 1.52 -0.28 0.00 -0.00 0.00 0.00 55.06 56.51 2kd0 s HIS 8 Cb -0.15 -3.34 0.10 0.00 -0.00 0.00 0.00 32.58 29.18 2kd0 s HIS 8 CO 0.17 -0.86 1.22 -1.54 -0.00 0.00 0.00 174.74 173.73 2kd0 s SER 9 N 0.05 -0.03 -1.17 1.40 1.04 -1.26 -5.07 113.70 108.66 2kd0 s SER 9 Ca 0.51 -0.27 -0.22 0.00 0.48 0.00 0.00 55.95 56.45 2kd0 s SER 9 Cb -0.31 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 2kd0 s SER 9 CO 0.35 -0.46 1.84 -2.28 0.98 0.00 0.00 173.24 173.67 2kd0 s HIS 10 N -2.30 2.23 0.40 5.02 2.46 -1.26 -4.94 115.29 116.91 2kd0 s HIS 10 Ca 0.21 -0.25 0.08 0.00 0.47 0.00 0.00 55.06 55.57 2kd0 s HIS 10 Cb 0.01 -4.29 -0.02 0.00 -0.13 0.00 0.00 32.58 28.16 2kd0 s HIS 10 CO -0.01 -1.51 0.40 0.45 -2.47 0.00 0.00 174.74 171.61 2kd0 s SER 11 N 5.87 5.22 -0.13 9.88 0.15 -1.26 -5.13 113.70 128.30 2kd0 s SER 11 Ca 0.62 -0.64 0.01 0.00 0.70 0.00 0.00 55.95 56.64 2kd0 s SER 11 Cb 0.00 -0.66 -0.01 0.00 -1.71 0.00 0.00 66.02 63.64 2kd0 s SER 11 CO 0.08 -0.62 -0.16 0.42 1.20 0.00 0.00 173.24 174.16 2kd0 s THR 12 N -2.42 2.75 -0.09 6.45 -4.23 -1.26 -4.32 115.64 112.52 2kd0 s THR 12 Ca 0.48 -0.76 -0.23 0.00 -1.18 0.00 0.00 61.69 60.00 2kd0 s THR 12 Cb -0.05 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 2kd0 s THR 12 CO 0.29 0.53 0.70 0.27 -0.54 0.00 0.00 174.62 175.87 2kd0 s ILE 13 N 0.50 5.03 -0.78 2.99 -4.36 0.22 -4.77 121.20 120.02 2kd0 s ILE 13 Ca -0.11 1.43 -0.22 0.00 -0.26 0.00 0.00 60.65 61.49 2kd0 s ILE 13 Cb -0.16 -4.04 0.08 0.00 1.25 0.00 0.00 42.46 39.59 2kd0 s ILE 13 CO 0.05 0.22 1.10 -0.54 0.24 0.00 0.00 174.94 176.00 2kd0 s LYS 14 N 1.04 3.31 0.11 0.37 1.02 -1.26 -1.33 119.74 122.99 2kd0 s LYS 14 Ca 0.37 -1.06 -0.11 0.00 0.02 0.00 0.00 55.97 55.18 2kd0 s LYS 14 Cb -0.17 -4.55 -0.06 0.00 -0.52 0.00 0.00 37.83 32.53 2kd0 s LYS 14 CO 0.17 -1.89 0.45 -0.51 -0.92 0.00 0.00 175.35 172.65 2kd0 s LEU 15 N 3.96 4.33 -0.41 3.17 1.43 0.54 0.09 118.68 131.79 2kd0 s LEU 15 Ca 0.29 0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 54.21 2kd0 s LEU 15 Cb -0.11 -3.11 0.11 0.00 0.03 0.00 0.00 46.19 43.11 2kd0 s LEU 15 CO 0.03 0.13 0.22 -0.89 0.23 0.00 0.00 176.35 176.07 2kd0 s THR 16 N -1.45 3.48 -0.23 5.49 2.01 -0.38 -0.39 115.64 124.18 2kd0 s THR 16 Ca 0.35 -1.93 -0.27 0.00 0.31 0.00 0.00 61.69 60.16 2kd0 s THR 16 Cb -0.14 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.04 2kd0 s THR 16 CO 0.19 -0.66 0.92 -0.69 -0.69 0.00 0.00 174.62 173.69 2kd0 s VAL 17 N 1.20 4.77 -0.82 3.82 1.01 0.50 -0.02 120.40 130.87 2kd0 s VAL 17 Ca 0.07 1.78 -0.19 0.00 0.00 0.00 0.00 61.98 63.64 2kd0 s VAL 17 Cb -0.23 -4.21 0.12 0.00 0.00 0.00 0.00 36.38 32.06 2kd0 s VAL 17 CO -0.03 -0.11 1.02 -0.54 0.00 0.00 0.00 175.10 175.44 2kd0 s LYS 18 N 2.90 3.42 -1.31 2.72 1.02 0.31 -0.79 119.74 128.01 2kd0 s LYS 18 Ca 0.39 -1.54 -0.17 0.00 0.02 0.00 0.00 55.97 54.68 2kd0 s LYS 18 Cb -0.15 -4.66 0.08 0.00 -0.52 0.00 0.00 37.83 32.57 2kd0 s LYS 18 CO 0.08 -1.73 1.78 1.19 -0.92 0.00 0.00 175.35 175.75 2kd0 n PHE 19 N 6.65 4.52 0.00 3.18 3.72 0.79 -2.47 117.46 133.85 2kd0 n PHE 19 Ca 0.13 -2.90 0.00 0.00 -0.05 0.00 0.00 57.45 54.63 2kd0 n PHE 19 Cb 0.47 -2.58 0.00 0.00 -0.94 0.00 0.00 39.48 36.43 2kd0 n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kd0 n GLY 20 N 5.08 0.78 0.00 1.37 0.00 -1.26 -1.08 105.19 110.08 2kd0 n GLY 20 Ca 0.48 0.51 0.00 0.00 0.00 0.00 0.00 46.02 47.01 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 0.63 3.60 -0.02 0.00 -1.26 -5.01 105.19 103.12 2kd0 n GLY 21 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.46 3.98 -0.76 1.61 -0.14 -0.24 -5.05 119.74 118.68 2kd0 s LYS 22 Ca 0.00 -0.25 -0.16 0.00 -1.36 0.00 0.00 55.97 54.20 2kd0 s LYS 22 Cb 0.00 -3.64 0.17 0.00 -1.68 0.00 0.00 37.83 32.68 2kd0 s LYS 22 CO 0.00 -0.16 0.77 -1.54 -0.76 0.00 0.00 175.35 173.65 2kd0 s SER 23 N 1.65 6.56 -0.45 2.83 1.04 -1.26 -0.15 113.70 123.92 2kd0 s SER 23 Ca 0.09 -2.25 -0.19 0.00 0.48 0.00 0.00 55.95 54.08 2kd0 s SER 23 Cb -0.16 -2.25 0.03 0.00 0.10 0.00 0.00 66.02 63.74 2kd0 s SER 23 CO 0.10 -0.78 0.53 -0.63 0.98 0.00 0.00 173.24 173.44 2kd0 s ILE 24 N 1.18 4.97 -0.40 -1.02 -1.09 0.03 -4.90 121.20 119.98 2kd0 s ILE 24 Ca 0.17 -0.28 -0.25 0.00 -2.23 0.00 0.00 60.65 58.06 2kd0 s ILE 24 Cb -0.15 -4.14 0.02 0.00 -1.58 0.00 0.00 42.46 36.60 2kd0 s ILE 24 CO -0.05 -0.56 0.90 -2.16 -1.23 0.00 0.00 174.94 171.84 2kd0 s PRO 25 N 2.42 3.72 -0.05 2.79 0.05 -1.26 -0.37 135.00 142.30 2kd0 s PRO 25 Ca 0.15 0.39 0.05 0.00 0.05 0.00 0.00 61.00 61.65 2kd0 s PRO 25 Cb -0.17 -3.84 -0.01 0.00 0.05 0.00 0.00 34.50 30.53 2kd0 s PRO 25 CO 0.15 -1.02 -0.21 -0.51 0.05 0.00 0.00 177.00 175.46 2kd0 s LEU 26 N 3.49 1.99 -0.73 -3.56 1.43 0.47 -4.97 118.68 116.81 2kd0 s LEU 26 Ca 0.36 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 52.88 2kd0 s LEU 26 Cb -0.12 -1.17 0.17 0.00 0.03 0.00 0.00 46.19 45.11 2kd0 s LEU 26 CO 0.21 0.19 0.72 -0.44 0.23 0.00 0.00 176.35 177.26 2kd0 s SER 27 N -0.04 6.52 0.38 2.29 0.01 -1.26 -0.34 113.70 121.26 2kd0 s SER 27 Ca -0.04 -2.22 0.08 0.00 1.31 0.00 0.00 55.95 55.08 2kd0 s SER 27 Cb -0.13 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 2kd0 s SER 27 CO 0.03 -0.77 0.25 0.68 0.41 0.00 0.00 173.24 173.84 2kd0 s VAL 28 N 1.13 2.80 0.18 3.43 -7.23 -0.44 -4.81 120.40 115.46 2kd0 s VAL 28 Ca 0.14 -1.54 -0.29 0.00 -1.81 0.00 0.00 61.98 58.48 2kd0 s VAL 28 Cb -0.17 -3.02 -0.08 0.00 0.56 0.00 0.00 36.38 33.67 2kd0 s VAL 28 CO -0.04 -0.08 0.92 -0.44 -0.31 0.00 0.00 175.10 175.15 2kd0 s SER 29 N -3.97 7.55 0.57 4.85 0.01 -1.26 0.70 113.70 122.14 2kd0 s SER 29 Ca 0.42 1.84 0.25 0.00 1.31 0.00 0.00 55.95 59.78 2kd0 s SER 29 Cb -0.02 -2.58 1.64 0.00 0.21 0.00 0.00 66.02 65.27 2kd0 s SER 29 CO 0.25 0.10 2.22 1.55 0.41 0.00 0.00 173.24 177.76 2kd0 h PRO 30 N 4.64 0.00 -0.05 12.44 0.13 -1.93 -0.52 132.00 146.72 2kd0 h PRO 30 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.69 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 2kd0 n ASP 31 N -4.08 0.41 -4.83 1.44 9.92 -1.26 -0.82 116.55 117.33 2kd0 n ASP 31 Ca -0.03 -1.55 -0.33 0.00 -0.53 0.00 0.00 54.79 52.35 2kd0 n ASP 31 Cb 0.09 -0.03 -0.06 0.00 -0.64 0.00 0.00 41.12 40.48 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 -2.02 3.90 0.25 0.00 -4.23 -1.26 -1.52 115.64 110.77 2kd0 s THR 33 Ca 0.56 -0.54 0.27 0.00 -1.18 0.00 0.00 61.69 60.80 2kd0 s THR 33 Cb -0.10 -3.44 0.28 0.00 1.34 0.00 0.00 72.50 70.58 2kd0 s THR 33 CO 0.16 -0.30 1.95 -0.37 -0.54 0.00 0.00 174.62 175.52 2kd0 h VAL 34 N 0.41 0.48 -0.34 2.29 -1.51 -1.74 -1.43 116.25 114.41 2kd0 h VAL 34 Ca -0.46 -0.81 -0.17 0.00 -1.23 0.00 0.00 66.70 64.04 2kd0 h VAL 34 Cb 1.26 1.56 -0.00 0.00 -2.13 0.00 0.00 31.29 31.97 2kd0 h VAL 34 CO 0.57 0.15 -0.45 0.50 -1.23 0.00 0.00 177.57 177.11 2kd0 h LYS 35 N 0.00 0.90 -0.49 5.19 3.64 -1.86 -1.62 116.57 122.32 2kd0 h LYS 35 Ca -0.00 -0.51 0.02 0.00 -1.27 0.00 0.00 60.65 58.89 2kd0 h LYS 35 Cb 0.55 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 2kd0 h LYS 35 CO 0.02 1.15 0.30 0.22 -2.27 0.00 0.00 179.45 178.87 2kd0 h ASP 36 N 0.71 0.50 0.06 4.20 3.58 -1.71 -1.85 116.42 121.91 2kd0 h ASP 36 Ca 0.04 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.51 2kd0 h ASP 36 Cb 1.05 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.96 2kd0 h ASP 36 CO 0.11 0.35 -0.21 -0.07 -2.88 0.00 0.00 179.24 176.54 2kd0 h LEU 37 N 0.60 -0.61 -1.26 2.28 3.38 -1.16 -1.57 115.31 116.97 2kd0 h LEU 37 Ca 0.19 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.35 2kd0 h LEU 37 Cb -0.01 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 2kd0 h LEU 37 CO -0.07 -0.29 0.56 0.11 0.09 0.00 0.00 178.44 178.84 2kd0 h LYS 38 N -0.37 0.76 -0.11 1.13 1.57 -1.14 0.11 116.57 118.52 2kd0 h LYS 38 Ca 0.04 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2kd0 h LYS 38 Cb 0.42 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2kd0 h LYS 38 CO -0.16 0.50 -0.28 0.77 -0.57 0.00 0.00 179.45 179.72 2kd0 h SER 39 N 0.78 0.20 0.04 0.86 0.02 -0.80 -1.10 113.55 113.55 2kd0 h SER 39 Ca 0.42 -0.06 -0.20 0.00 -0.84 0.00 0.00 61.79 61.10 2kd0 h SER 39 Cb 0.53 -0.05 0.02 0.00 0.14 0.00 0.00 62.40 63.04 2kd0 h SER 39 CO -0.18 0.48 -0.82 1.56 -1.14 0.00 0.00 176.83 176.73 2kd0 h GLN 40 N 0.18 0.48 -0.59 3.45 4.20 -0.07 -3.36 115.11 119.41 2kd0 h GLN 40 Ca 0.03 -0.57 -0.09 0.00 0.06 0.00 0.00 58.65 58.07 2kd0 h GLN 40 Cb 0.59 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 2kd0 h GLN 40 CO 0.04 1.21 0.00 -0.07 -0.67 0.00 0.00 178.83 179.35 2kd0 h LEU 41 N 0.01 1.02 -0.11 1.46 3.38 -0.71 -3.35 115.31 117.00 2kd0 h LEU 41 Ca -0.11 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.59 2kd0 h LEU 41 Cb 1.53 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 2kd0 h LEU 41 CO 0.16 1.07 -0.38 -0.61 0.09 0.00 0.00 178.44 178.78 2kd0 h GLN 42 N 0.93 -0.45 0.00 1.13 4.15 -1.34 -0.14 115.11 119.39 2kd0 h GLN 42 Ca 0.17 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.62 2kd0 h GLN 42 Cb 0.55 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.34 2kd0 h GLN 42 CO 0.03 -0.30 0.00 -0.35 -1.93 0.00 0.00 178.83 176.28 2kd0 n PRO 43 N -5.43 0.07 -0.12 -2.39 -0.04 -1.26 0.36 135.00 126.20 2kd0 n PRO 43 Ca -0.04 0.27 -0.24 0.00 -0.04 0.00 0.00 63.50 63.45 2kd0 n PRO 43 Cb 0.35 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.37 1.52 1.04 0.52 5.41 -0.29 -4.64 119.36 121.55 2kd0 n ILE 44 Ca 0.03 -0.19 0.11 0.00 1.00 0.00 0.00 62.75 63.70 2kd0 n ILE 44 Cb 0.08 -2.01 0.04 0.00 -0.71 0.00 0.00 39.64 37.04 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 -4.35 0.00 -1.57 1.39 -2.24 -0.22 -4.97 114.28 102.31 2kd0 n THR 45 Ca -0.41 -0.18 -0.17 0.00 -2.27 0.00 0.00 64.05 61.03 2kd0 n THR 45 Cb 0.75 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.95 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 -0.47 -5.00 -4.91 3.42 3.02 0.16 -4.99 115.26 106.48 2kd0 n ASN 46 Ca 0.08 0.37 -0.32 0.00 -0.03 0.00 0.00 54.58 54.68 2kd0 n ASN 46 Cb 0.42 -3.99 -0.04 0.00 -0.61 0.00 0.00 39.78 35.56 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 -2.64 5.38 0.25 2.41 0.11 -1.25 -5.05 120.40 119.61 2kd0 s VAL 47 Ca 0.00 -0.24 -0.31 0.00 -2.93 0.00 0.00 61.98 58.50 2kd0 s VAL 47 Cb 0.00 -3.59 -0.12 0.00 -1.53 0.00 0.00 36.38 31.13 2kd0 s VAL 47 CO 0.00 0.21 1.62 0.18 -3.33 0.00 0.00 175.10 173.78 2kd0 n LEU 48 N 0.55 4.05 0.27 2.54 4.77 -1.26 -4.57 117.00 123.35 2kd0 n LEU 48 Ca -0.07 1.11 0.16 0.00 -0.03 0.00 0.00 56.01 57.18 2kd0 n LEU 48 Cb 0.52 -1.56 0.66 0.00 -2.33 0.00 0.00 43.42 40.71 2kd0 n LEU 48 CO 0.48 0.08 0.97 1.55 -1.33 0.00 0.00 177.39 179.14 2kd0 h PRO 49 N 5.49 0.00 0.01 3.23 0.13 -1.97 -2.94 132.00 135.96 2kd0 h PRO 49 Ca -0.45 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.43 2kd0 h PRO 49 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 2kd0 h PRO 49 CO 0.85 0.04 -1.02 -0.09 -0.23 0.00 0.00 178.00 177.56 2kd0 h ARG 50 N 0.00 0.56 0.00 0.86 2.43 -1.98 -3.31 114.38 112.95 2kd0 h ARG 50 Ca -0.00 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 2kd0 h ARG 50 Cb 0.53 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2kd0 h ARG 50 CO 0.01 1.23 0.00 0.78 -1.51 0.00 0.00 179.97 180.48 2kd0 h GLY 51 N 0.80 0.00 -7.39 2.80 0.00 -1.90 -3.43 103.07 93.95 2kd0 h GLY 51 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.87 2kd0 h GLY 51 CO 0.19 0.00 0.97 1.20 0.00 0.00 0.00 176.54 178.90 2kd0 s GLN 52 N -3.23 2.37 -0.83 4.80 -0.21 -1.14 -4.45 119.66 116.96 2kd0 s GLN 52 Ca 0.07 0.38 -0.20 0.00 0.02 0.00 0.00 55.36 55.62 2kd0 s GLN 52 Cb 0.05 -4.72 0.11 0.00 1.00 0.00 0.00 33.01 29.45 2kd0 s GLN 52 CO 0.66 -3.31 1.07 0.15 -2.12 0.00 0.00 175.29 171.74 2kd0 s LYS 53 N 7.48 3.42 -0.24 2.91 1.02 -0.28 -4.94 119.74 129.11 2kd0 s LYS 53 Ca 0.76 -1.44 -0.29 0.00 0.02 0.00 0.00 55.97 55.03 2kd0 s LYS 53 Cb -0.11 -4.69 -0.02 0.00 -0.52 0.00 0.00 37.83 32.49 2kd0 s LYS 53 CO 0.12 -1.79 1.47 -0.51 -0.92 0.00 0.00 175.35 173.71 2kd0 s LEU 54 N 3.18 3.92 -0.06 3.17 1.43 -1.26 -1.07 118.68 127.98 2kd0 s LEU 54 Ca 0.29 1.47 0.05 0.00 -1.03 0.00 0.00 54.13 54.91 2kd0 s LEU 54 Cb -0.09 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.59 2kd0 s LEU 54 CO -0.03 -1.15 -0.22 -0.63 0.23 0.00 0.00 176.35 174.56 2kd0 s ILE 55 N 4.72 1.81 -0.01 -0.59 1.01 0.17 -2.43 121.20 125.88 2kd0 s ILE 55 Ca 0.64 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 60.38 2kd0 s ILE 55 Cb -0.22 -1.55 0.01 0.00 0.01 0.00 0.00 42.46 40.72 2kd0 s ILE 55 CO 0.26 0.51 0.02 0.12 0.00 0.00 0.00 174.94 175.84 2kd0 s PHE 56 N 0.09 0.00 0.00 3.97 5.36 -0.22 -1.00 117.98 126.18 2kd0 s PHE 56 Ca -0.08 0.07 0.00 0.00 -0.96 0.00 0.00 56.93 55.96 2kd0 s PHE 56 Cb -0.14 -0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.45 2kd0 s PHE 56 CO 0.05 -0.04 0.00 1.63 -1.46 0.00 0.00 175.22 175.40 2kd0 n LYS 57 N 3.50 -1.44 -0.66 10.12 4.76 -1.26 -0.55 118.16 132.64 2kd0 n LYS 57 Ca -0.18 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 2kd0 n LYS 57 Cb 0.56 -4.50 0.00 0.00 -1.84 0.00 0.00 35.03 29.25 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 -0.06 0.69 3.57 0.72 0.00 -1.26 -5.06 105.19 103.78 2kd0 n GLY 58 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.34 3.41 -0.29 1.61 2.20 0.28 -5.09 119.74 121.51 2kd0 s LYS 59 Ca 0.00 -0.48 -0.25 0.00 -0.36 0.00 0.00 55.97 54.88 2kd0 s LYS 59 Cb 0.00 -2.87 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 2kd0 s LYS 59 CO 0.00 0.42 0.88 0.54 -0.36 0.00 0.00 175.35 176.83 2kd0 s VAL 60 N -0.11 4.73 0.64 4.02 0.11 -1.26 -1.05 120.40 127.47 2kd0 s VAL 60 Ca 0.03 1.45 -0.16 0.00 -2.93 0.00 0.00 61.98 60.37 2kd0 s VAL 60 Cb -0.13 -4.22 -0.01 0.00 -1.53 0.00 0.00 36.38 30.49 2kd0 s VAL 60 CO 0.02 -0.26 1.11 -0.76 -3.33 0.00 0.00 175.10 171.88 2kd0 s LEU 61 N 3.11 3.45 -0.07 2.54 2.01 -1.02 -5.02 118.68 123.69 2kd0 s LEU 61 Ca 0.37 2.02 -0.19 0.00 0.01 0.00 0.00 54.13 56.33 2kd0 s LEU 61 Cb -0.14 -4.55 -0.05 0.00 0.01 0.00 0.00 46.19 41.46 2kd0 s LEU 61 CO 0.12 -1.54 0.53 -0.69 1.01 0.00 0.00 176.35 175.77 2kd0 s VAL 62 N -2.26 5.08 0.51 -1.59 1.01 -1.26 -4.94 120.40 116.95 2kd0 s VAL 62 Ca 0.68 1.07 0.18 0.00 0.00 0.00 0.00 61.98 63.91 2kd0 s VAL 62 Cb -0.21 -3.86 0.32 0.00 0.00 0.00 0.00 36.38 32.63 2kd0 s VAL 62 CO 0.39 0.37 2.08 -0.33 0.00 0.00 0.00 175.10 177.61 2kd0 h GLU 63 N 6.21 0.07 0.00 2.72 5.08 -1.95 0.57 114.58 127.28 2kd0 h GLU 63 Ca -0.43 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2kd0 h GLU 63 Cb 1.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kd0 h GLU 63 CO 0.72 0.05 0.00 1.79 -1.00 0.00 0.00 179.01 180.57 2kd0 h THR 64 N 0.07 0.00 -3.21 1.13 1.35 -2.00 -3.33 112.91 106.93 2kd0 h THR 64 Ca 0.12 -0.54 -0.58 0.00 -0.55 0.00 0.00 66.41 64.85 2kd0 h THR 64 Cb 0.38 1.51 -0.05 0.00 -1.73 0.00 0.00 68.15 68.26 2kd0 h THR 64 CO -0.01 0.00 -0.08 -0.55 -0.25 0.00 0.00 175.52 174.63 2kd0 s SER 65 N -4.85 6.94 0.62 5.36 0.15 0.19 -4.98 113.70 117.12 2kd0 s SER 65 Ca 0.09 1.12 -0.06 0.00 0.70 0.00 0.00 55.95 57.79 2kd0 s SER 65 Cb 0.10 -2.33 0.02 0.00 -1.71 0.00 0.00 66.02 62.11 2kd0 s SER 65 CO 0.58 0.22 0.94 0.42 1.20 0.00 0.00 173.24 176.60 2kd0 s THR 66 N -0.70 3.36 0.26 6.45 -4.23 -1.26 -3.22 115.64 116.30 2kd0 s THR 66 Ca 0.28 -0.01 -0.04 0.00 -1.18 0.00 0.00 61.69 60.74 2kd0 s THR 66 Cb -0.18 -3.36 0.17 0.00 1.34 0.00 0.00 72.50 70.46 2kd0 s THR 66 CO 0.16 -0.39 1.82 -0.07 -0.54 0.00 0.00 174.62 175.61 2kd0 h LEU 67 N -0.30 0.93 -0.69 4.79 -0.00 -1.11 -2.72 115.31 116.20 2kd0 h LEU 67 Ca -0.45 -0.14 -0.12 0.00 -0.00 0.00 0.00 57.88 57.17 2kd0 h LEU 67 Cb 1.27 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.67 2kd0 h LEU 67 CO 0.61 0.84 -0.27 0.50 -0.00 0.00 0.00 178.44 180.12 2kd0 h LYS 68 N 0.98 0.71 -0.00 1.13 3.64 -1.22 0.02 116.57 121.83 2kd0 h LYS 68 Ca 0.23 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2kd0 h LYS 68 Cb 0.22 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2kd0 h LYS 68 CO -0.02 0.91 0.01 1.96 -2.27 0.00 0.00 179.45 180.04 2kd0 h GLN 69 N 0.61 0.00 -0.58 1.90 4.20 -1.74 0.03 115.11 119.53 2kd0 h GLN 69 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2kd0 h GLN 69 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2kd0 h GLN 69 CO 0.06 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.65 2kd0 n SER 70 N -3.67 3.61 -1.79 1.46 7.64 -0.70 -4.96 113.62 115.21 2kd0 n SER 70 Ca -0.03 -1.98 -0.19 0.00 1.01 0.00 0.00 58.87 57.67 2kd0 n SER 70 Cb 0.08 -0.38 -0.06 0.00 -1.01 0.00 0.00 64.21 62.84 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 1.36 -5.23 -4.63 6.43 8.00 -0.00 -4.93 116.55 117.55 2kd0 n ASP 71 Ca 0.20 0.36 -0.43 0.00 0.71 0.00 0.00 54.79 55.63 2kd0 n ASP 71 Cb 0.57 -4.57 -0.02 0.00 -0.02 0.00 0.00 41.12 37.08 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 -2.73 3.86 0.54 2.53 1.01 -0.10 -4.98 120.40 120.52 2kd0 s VAL 72 Ca 0.00 0.97 0.03 0.00 0.00 0.00 0.00 61.98 62.98 2kd0 s VAL 72 Cb 0.00 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 32.62 2kd0 s VAL 72 CO 0.00 -0.34 0.74 0.61 0.00 0.00 0.00 175.10 176.11 2kd0 n GLY 73 N 4.49 1.14 3.68 4.51 0.00 -1.26 -4.55 105.19 113.20 2kd0 n GLY 73 Ca 0.17 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 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 -4.10 6.97 0.00 1.61 0.15 -1.26 -3.22 113.70 113.85 2kd0 s SER 74 Ca 0.51 1.89 0.00 0.00 0.70 0.00 0.00 55.95 59.05 2kd0 s SER 74 Cb -0.03 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2kd0 s SER 74 CO 0.33 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2kd0 n GLY 75 N 3.50 1.19 3.65 9.45 0.00 0.11 -4.82 105.19 118.27 2kd0 n GLY 75 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 3.60 -0.56 4.61 0.00 -1.20 -4.88 121.76 121.33 2kd0 s ALA 76 Ca 0.00 -0.14 -0.22 0.00 0.00 0.00 0.00 51.96 51.61 2kd0 s ALA 76 Cb 0.00 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.97 2kd0 s ALA 76 CO 0.00 -0.80 0.83 0.15 0.00 0.00 0.00 175.76 175.94 2kd0 s LYS 77 N 2.51 3.20 0.07 0.00 1.02 -1.26 -1.24 119.74 124.04 2kd0 s LYS 77 Ca 0.34 -0.67 -0.25 0.00 0.02 0.00 0.00 55.97 55.41 2kd0 s LYS 77 Cb -0.16 -4.12 -0.06 0.00 -0.52 0.00 0.00 37.83 32.97 2kd0 s LYS 77 CO 0.09 -1.48 0.77 -0.51 -0.92 0.00 0.00 175.35 173.30 2kd0 s LEU 78 N 3.46 4.48 -0.45 3.17 1.43 0.98 -4.94 118.68 126.81 2kd0 s LEU 78 Ca 0.22 1.50 -0.21 0.00 -1.03 0.00 0.00 54.13 54.61 2kd0 s LEU 78 Cb -0.16 -3.25 0.03 0.00 0.03 0.00 0.00 46.19 42.83 2kd0 s LEU 78 CO 0.14 0.06 0.70 -0.32 0.23 0.00 0.00 176.35 177.16 2kd0 s MET 79 N -0.31 3.31 -0.41 1.70 -2.45 -0.17 -0.53 119.30 120.43 2kd0 s MET 79 Ca 0.38 -0.33 -0.14 0.00 -1.25 0.00 0.00 55.69 54.35 2kd0 s MET 79 Cb -0.21 -3.96 0.03 0.00 1.25 0.00 0.00 34.83 31.94 2kd0 s MET 79 CO 0.24 -1.08 0.29 -1.17 1.05 0.00 0.00 175.02 174.35 2kd0 s LEU 80 N 3.00 5.11 -0.93 4.11 2.96 -1.03 -0.65 118.68 131.24 2kd0 s LEU 80 Ca 0.25 -1.00 -0.21 0.00 -0.22 0.00 0.00 54.13 52.95 2kd0 s LEU 80 Cb -0.14 -2.13 0.09 0.00 0.50 0.00 0.00 46.19 44.51 2kd0 s LEU 80 CO 0.20 -0.47 1.25 -0.32 -1.32 0.00 0.00 176.35 175.69 2kd0 s MET 81 N 1.64 3.53 -0.18 1.98 -2.45 -0.23 -4.21 119.30 119.38 2kd0 s MET 81 Ca 0.04 -1.35 -0.01 0.00 -1.25 0.00 0.00 55.69 53.12 2kd0 s MET 81 Cb -0.20 -5.00 0.05 0.00 1.25 0.00 0.00 34.83 30.93 2kd0 s MET 81 CO 0.09 -1.97 -0.02 0.00 1.05 0.00 0.00 175.02 174.17 2kd0 s ALA 82 N 3.87 1.37 -0.06 4.11 0.00 -1.26 -1.12 121.76 128.68 2kd0 s ALA 82 Ca 0.37 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 2kd0 s ALA 82 Cb -0.04 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 2kd0 s ALA 82 CO -0.07 -0.98 0.16 -1.54 0.00 0.00 0.00 175.76 173.33 2kd0 s SER 83 N 1.68 6.35 0.19 0.00 1.04 -1.26 -4.91 113.70 116.78 2kd0 s SER 83 Ca -0.01 0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.86 2kd0 s SER 83 Cb -0.16 -2.01 0.07 0.00 0.10 0.00 0.00 66.02 64.01 2kd0 s SER 83 CO -0.07 0.33 1.43 1.56 0.98 0.00 0.00 173.24 177.47 2kd0 h GLN 84 N 4.35 0.14 0.00 4.02 4.20 -2.01 -3.46 115.11 122.34 2kd0 h GLN 84 Ca -0.52 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.05 2kd0 h GLN 84 Cb 1.21 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2kd0 h GLN 84 CO 0.64 0.87 0.00 0.41 -0.67 0.00 0.00 178.83 180.08