#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 0.61 3.56 3.03 0.00 -1.26 -4.92 105.19 106.21 2kd0 n GLY 2 Ca 0.00 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 1.44 -0.29 1.61 0.00 -1.26 -4.81 115.29 111.98 2kd0 s HIS 3 Ca 0.00 1.31 0.03 0.00 -3.00 0.00 0.00 55.06 53.39 2kd0 s HIS 3 Cb 0.00 -3.75 0.20 0.00 -4.00 0.00 0.00 32.58 25.03 2kd0 s HIS 3 CO 0.00 -1.81 0.63 -3.38 -1.00 0.00 0.00 174.74 169.18 2kd0 s HIS 4 N 12.16 -1.70 0.35 0.38 0.00 -1.26 -5.17 115.29 120.06 2kd0 s HIS 4 Ca 0.82 1.21 -0.18 0.00 -3.00 0.00 0.00 55.06 53.91 2kd0 s HIS 4 Cb -0.11 0.37 -0.10 0.00 -4.00 0.00 0.00 32.58 28.75 2kd0 s HIS 4 CO 0.08 -0.97 0.82 -3.38 -1.00 0.00 0.00 174.74 170.28 2kd0 s HIS 5 N 2.85 3.38 0.35 0.38 0.00 -1.26 -5.09 115.29 115.89 2kd0 s HIS 5 Ca 0.14 1.38 0.04 0.00 -3.00 0.00 0.00 55.06 53.63 2kd0 s HIS 5 Cb -0.11 -2.66 -0.03 0.00 -4.00 0.00 0.00 32.58 25.78 2kd0 s HIS 5 CO -0.24 0.04 0.18 -3.38 -1.00 0.00 0.00 174.74 170.35 2kd0 s HIS 6 N -2.01 1.70 0.24 0.38 0.00 -1.26 -5.19 115.29 109.16 2kd0 s HIS 6 Ca 0.56 -1.43 -0.00 0.00 -3.00 0.00 0.00 55.06 51.19 2kd0 s HIS 6 Cb -0.11 -0.92 0.00 0.00 -4.00 0.00 0.00 32.58 27.56 2kd0 s HIS 6 CO 0.16 -0.55 0.32 -2.39 -1.00 0.00 0.00 174.74 171.28 2kd0 n HIS 7 N -0.70 -1.04 -1.03 0.38 -0.00 -1.26 -5.17 115.22 106.39 2kd0 n HIS 7 Ca 0.01 -1.69 -0.29 0.00 -0.00 0.00 0.00 57.72 55.74 2kd0 n HIS 7 Cb 0.64 0.35 0.17 0.00 -0.00 0.00 0.00 29.99 31.15 2kd0 n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kd0 s HIS 8 N -3.44 2.05 0.24 -1.40 0.09 -1.26 -5.08 115.29 106.49 2kd0 s HIS 8 Ca 0.22 1.27 0.01 0.00 -0.00 0.00 0.00 55.06 56.55 2kd0 s HIS 8 Cb -0.00 -3.18 -0.04 0.00 -0.00 0.00 0.00 32.58 29.36 2kd0 s HIS 8 CO 0.15 -2.75 0.15 0.45 -0.00 0.00 0.00 174.74 172.74 2kd0 s SER 9 N -3.19 0.70 -0.14 1.40 0.15 -1.26 -5.07 113.70 106.28 2kd0 s SER 9 Ca 0.65 -1.47 0.17 0.00 0.70 0.00 0.00 55.95 56.00 2kd0 s SER 9 Cb -0.20 0.38 0.43 0.00 -1.71 0.00 0.00 66.02 64.92 2kd0 s SER 9 CO 0.58 -0.87 1.19 0.00 1.20 0.00 0.00 173.24 175.35 2kd0 n HIS 10 N -0.39 0.31 -1.02 3.44 -0.00 -1.26 -5.09 115.22 111.22 2kd0 n HIS 10 Ca 0.02 -1.24 -0.30 0.00 -0.00 0.00 0.00 57.72 56.20 2kd0 n HIS 10 Cb 0.65 -0.22 0.25 0.00 -0.00 0.00 0.00 29.99 30.68 2kd0 n HIS 10 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2kd0 s SER 11 N -2.85 0.45 0.31 4.39 0.01 -1.26 -4.85 113.70 109.90 2kd0 s SER 11 Ca 0.37 0.54 -0.14 0.00 1.31 0.00 0.00 55.95 58.03 2kd0 s SER 11 Cb 0.38 -0.70 -0.09 0.00 0.21 0.00 0.00 66.02 65.82 2kd0 s SER 11 CO -0.10 -4.40 0.71 0.42 0.41 0.00 0.00 173.24 170.28 2kd0 s THR 12 N -2.96 4.72 -0.12 1.44 -4.23 -1.26 -4.39 115.64 108.84 2kd0 s THR 12 Ca 0.72 0.86 -0.06 0.00 -1.18 0.00 0.00 61.69 62.03 2kd0 s THR 12 Cb -0.08 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 2kd0 s THR 12 CO 0.56 -0.19 0.09 0.27 -0.54 0.00 0.00 174.62 174.81 2kd0 s ILE 13 N -1.99 5.10 -1.24 2.99 -4.36 0.07 -4.91 121.20 116.87 2kd0 s ILE 13 Ca 0.53 0.06 -0.14 0.00 -0.26 0.00 0.00 60.65 60.84 2kd0 s ILE 13 Cb -0.10 -3.21 0.16 0.00 1.25 0.00 0.00 42.46 40.55 2kd0 s ILE 13 CO 0.19 0.60 1.54 0.29 0.24 0.00 0.00 174.94 177.80 2kd0 n LYS 14 N 2.22 3.37 -2.61 0.37 5.02 -1.26 -2.64 118.16 122.63 2kd0 n LYS 14 Ca -0.19 -3.72 -0.26 0.00 -2.02 0.00 0.00 58.31 52.12 2kd0 n LYS 14 Cb 0.54 -3.09 0.02 0.00 -0.02 0.00 0.00 35.03 32.48 2kd0 n LYS 14 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2kd0 s LEU 15 N 1.70 3.44 -0.22 -0.35 2.34 -1.04 -0.49 118.68 124.06 2kd0 s LEU 15 Ca 0.44 0.66 -0.01 0.00 0.06 0.00 0.00 54.13 55.28 2kd0 s LEU 15 Cb -0.00 -3.53 0.06 0.00 -0.56 0.00 0.00 46.19 42.16 2kd0 s LEU 15 CO 0.01 -0.85 -0.02 -0.89 -1.06 0.00 0.00 176.35 173.54 2kd0 s THR 16 N -2.82 1.16 -0.20 5.48 2.01 -0.10 -0.50 115.64 120.67 2kd0 s THR 16 Ca 0.51 -0.98 -0.12 0.00 0.31 0.00 0.00 61.69 61.40 2kd0 s THR 16 Cb -0.10 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 2kd0 s THR 16 CO 0.43 -0.15 0.23 -0.69 -0.69 0.00 0.00 174.62 173.75 2kd0 s VAL 17 N 1.57 5.33 -0.24 3.82 1.01 0.59 -0.17 120.40 132.31 2kd0 s VAL 17 Ca -0.04 0.37 -0.14 0.00 0.00 0.00 0.00 61.98 62.17 2kd0 s VAL 17 Cb -0.18 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2kd0 s VAL 17 CO -0.07 0.37 0.34 -0.54 0.00 0.00 0.00 175.10 175.20 2kd0 s LYS 18 N 0.73 4.08 -0.68 2.72 1.02 0.16 -0.30 119.74 127.47 2kd0 s LYS 18 Ca 0.12 0.04 -0.14 0.00 0.02 0.00 0.00 55.97 56.01 2kd0 s LYS 18 Cb -0.13 -3.59 0.17 0.00 -0.52 0.00 0.00 37.83 33.76 2kd0 s LYS 18 CO 0.03 -0.13 0.62 -0.06 -0.92 0.00 0.00 175.35 174.88 2kd0 s PHE 19 N 1.62 3.52 0.00 3.18 0.08 0.90 -2.74 117.98 124.54 2kd0 s PHE 19 Ca 0.15 -1.73 0.00 0.00 0.12 0.00 0.00 56.93 55.47 2kd0 s PHE 19 Cb -0.15 -3.76 0.00 0.00 -0.57 0.00 0.00 43.02 38.54 2kd0 s PHE 19 CO 0.08 -1.00 0.00 0.41 -0.10 0.00 0.00 175.22 174.62 2kd0 n GLY 20 N 4.53 0.65 0.48 4.36 0.00 -1.26 -0.97 105.19 112.98 2kd0 n GLY 20 Ca 0.01 0.51 0.11 0.00 0.00 0.00 0.00 46.02 46.65 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 0.03 3.88 -0.02 0.00 -1.26 -4.96 105.19 102.86 2kd0 n GLY 21 Ca 0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.38 3.59 -0.30 1.61 -0.14 -0.15 -5.09 119.74 116.89 2kd0 s LYS 22 Ca 0.18 -0.06 -0.00 0.00 -1.36 0.00 0.00 55.97 54.72 2kd0 s LYS 22 Cb 0.17 -3.06 0.06 0.00 -1.68 0.00 0.00 37.83 33.32 2kd0 s LYS 22 CO 0.55 0.63 -0.02 -1.12 -0.76 0.00 0.00 175.35 174.63 2kd0 s SER 23 N -1.76 4.78 -0.36 2.83 0.01 -1.26 -0.07 113.70 117.87 2kd0 s SER 23 Ca 0.29 -1.41 -0.10 0.00 1.31 0.00 0.00 55.95 56.03 2kd0 s SER 23 Cb -0.13 -1.67 0.02 0.00 0.21 0.00 0.00 66.02 64.46 2kd0 s SER 23 CO 0.17 -0.26 0.19 -0.63 0.41 0.00 0.00 173.24 173.11 2kd0 s ILE 24 N 1.18 4.50 -0.06 1.44 -1.09 0.59 -4.95 121.20 122.81 2kd0 s ILE 24 Ca -0.05 -0.83 -0.30 0.00 -2.23 0.00 0.00 60.65 57.25 2kd0 s ILE 24 Cb -0.20 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 2kd0 s ILE 24 CO -0.03 -0.19 1.06 -2.16 -1.23 0.00 0.00 174.94 172.40 2kd0 s PRO 25 N 1.55 4.43 0.39 2.79 0.04 -1.26 -0.30 135.00 142.64 2kd0 s PRO 25 Ca 0.02 1.49 0.05 0.00 0.04 0.00 0.00 61.00 62.60 2kd0 s PRO 25 Cb -0.19 -3.52 -0.06 0.00 0.04 0.00 0.00 34.50 30.77 2kd0 s PRO 25 CO 0.06 -0.30 0.04 -0.51 0.04 0.00 0.00 177.00 176.33 2kd0 s LEU 26 N 1.83 2.44 -0.26 -3.56 1.43 0.35 -4.97 118.68 115.94 2kd0 s LEU 26 Ca 0.52 -1.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.16 2kd0 s LEU 26 Cb -0.21 -0.60 0.08 0.00 0.03 0.00 0.00 46.19 45.49 2kd0 s LEU 26 CO 0.21 -0.62 0.04 -0.44 0.23 0.00 0.00 176.35 175.77 2kd0 s SER 27 N -3.64 3.78 0.43 2.29 0.01 -1.26 -2.48 113.70 112.82 2kd0 s SER 27 Ca 0.30 -1.36 0.05 0.00 1.31 0.00 0.00 55.95 56.24 2kd0 s SER 27 Cb 0.08 -0.95 -0.05 0.00 0.21 0.00 0.00 66.02 65.30 2kd0 s SER 27 CO 0.15 -0.34 0.02 0.68 0.41 0.00 0.00 173.24 174.16 2kd0 s VAL 28 N 1.55 1.56 -0.13 3.43 -7.23 -1.08 -4.90 120.40 113.60 2kd0 s VAL 28 Ca 0.03 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 57.99 2kd0 s VAL 28 Cb -0.18 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 2kd0 s VAL 28 CO -0.14 0.00 0.60 -0.44 -0.31 0.00 0.00 175.10 174.81 2kd0 s SER 29 N -3.72 6.78 0.55 4.85 0.01 -1.26 -0.75 113.70 120.17 2kd0 s SER 29 Ca 0.26 0.94 0.32 0.00 1.31 0.00 0.00 55.95 58.78 2kd0 s SER 29 Cb 0.07 -2.35 1.61 0.00 0.21 0.00 0.00 66.02 65.56 2kd0 s SER 29 CO 0.13 -0.13 2.11 1.55 0.41 0.00 0.00 173.24 177.31 2kd0 h PRO 30 N 6.99 0.00 -0.00 12.44 0.13 -1.89 -1.68 132.00 147.98 2kd0 h PRO 30 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2kd0 h PRO 30 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kd0 h PRO 30 CO 0.76 0.08 0.00 -0.25 -0.23 0.00 0.00 178.00 178.36 2kd0 n ASP 31 N -3.45 0.07 -4.89 1.44 8.00 -1.26 -1.87 116.55 114.59 2kd0 n ASP 31 Ca -0.02 -1.27 -0.29 0.00 0.71 0.00 0.00 54.79 53.93 2kd0 n ASP 31 Cb 0.22 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 2kd0 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kd0 s THR 33 N -2.17 4.79 0.36 0.00 -4.23 -1.26 -1.80 115.64 111.32 2kd0 s THR 33 Ca 0.46 0.63 0.34 0.00 -1.18 0.00 0.00 61.69 61.94 2kd0 s THR 33 Cb -0.11 -3.71 0.37 0.00 1.34 0.00 0.00 72.50 70.39 2kd0 s THR 33 CO 0.30 -0.46 2.11 -0.37 -0.54 0.00 0.00 174.62 175.66 2kd0 h VAL 34 N 1.24 0.22 0.01 2.29 -1.51 -1.55 -2.09 116.25 114.86 2kd0 h VAL 34 Ca -0.47 -0.42 -0.22 0.00 -1.23 0.00 0.00 66.70 64.35 2kd0 h VAL 34 Cb 1.19 1.34 -0.00 0.00 -2.13 0.00 0.00 31.29 31.68 2kd0 h VAL 34 CO 0.64 0.05 -0.94 0.50 -1.23 0.00 0.00 177.57 176.60 2kd0 h LYS 35 N 0.00 0.36 -0.22 5.19 3.64 -1.81 -3.21 116.57 120.52 2kd0 h LYS 35 Ca -0.00 -0.40 -0.07 0.00 -1.27 0.00 0.00 60.65 58.91 2kd0 h LYS 35 Cb 0.33 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2kd0 h LYS 35 CO 0.01 1.08 -0.18 0.22 -2.27 0.00 0.00 179.45 178.31 2kd0 h ASP 36 N 0.20 0.36 -0.80 4.20 3.58 -1.68 -2.37 116.42 119.92 2kd0 h ASP 36 Ca -0.07 -0.10 0.12 0.00 0.42 0.00 0.00 57.03 57.40 2kd0 h ASP 36 Cb 1.58 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 42.47 2kd0 h ASP 36 CO 0.16 0.56 0.52 -0.07 -2.88 0.00 0.00 179.24 177.53 2kd0 h LEU 37 N 0.34 0.57 -0.72 2.28 3.38 -1.50 0.32 115.31 119.98 2kd0 h LEU 37 Ca 0.06 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2kd0 h LEU 37 Cb 0.51 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2kd0 h LEU 37 CO 0.03 0.32 0.45 0.11 0.09 0.00 0.00 178.44 179.45 2kd0 h LYS 38 N 0.62 0.86 0.00 1.13 1.57 -1.51 0.51 116.57 119.75 2kd0 h LYS 38 Ca 0.38 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.07 2kd0 h LYS 38 Cb 0.62 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2kd0 h LYS 38 CO -0.15 0.57 -0.20 0.77 -0.57 0.00 0.00 179.45 179.86 2kd0 h SER 39 N 0.88 0.00 0.08 0.86 0.02 -0.98 0.23 113.55 114.64 2kd0 h SER 39 Ca 0.29 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.07 2kd0 h SER 39 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2kd0 h SER 39 CO -0.11 0.20 -0.82 1.56 -1.14 0.00 0.00 176.83 176.53 2kd0 h GLN 40 N 0.00 0.17 -0.00 3.45 4.20 -0.75 -3.39 115.11 118.80 2kd0 h GLN 40 Ca -0.00 -0.30 -0.19 0.00 0.06 0.00 0.00 58.65 58.23 2kd0 h GLN 40 Cb 0.39 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2kd0 h GLN 40 CO 0.03 1.14 -0.83 -0.07 -0.67 0.00 0.00 178.83 178.43 2kd0 h LEU 41 N -0.59 0.20 -0.04 1.46 3.38 -0.85 -3.37 115.31 115.50 2kd0 h LEU 41 Ca -0.17 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.68 2kd0 h LEU 41 Cb 1.47 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.11 2kd0 h LEU 41 CO 0.05 0.94 -0.22 -0.61 0.09 0.00 0.00 178.44 178.68 2kd0 h GLN 42 N 0.09 -0.32 0.00 1.13 4.15 -1.13 0.20 115.11 119.23 2kd0 h GLN 42 Ca -0.03 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2kd0 h GLN 42 Cb 1.44 0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.20 2kd0 h GLN 42 CO 0.12 -0.21 0.00 -0.35 -1.93 0.00 0.00 178.83 176.46 2kd0 n PRO 43 N -5.35 0.08 -0.12 -2.39 -0.04 -1.26 0.24 135.00 126.17 2kd0 n PRO 43 Ca -0.04 0.39 -0.15 0.00 -0.04 0.00 0.00 63.50 63.66 2kd0 n PRO 43 Cb 0.26 -1.69 -0.13 0.00 -0.04 0.00 0.00 33.50 31.91 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 -1.85 1.42 0.28 0.52 5.41 -0.73 -4.63 119.36 119.79 2kd0 n ILE 44 Ca 0.02 -0.65 0.09 0.00 1.00 0.00 0.00 62.75 63.21 2kd0 n ILE 44 Cb 0.15 -1.09 -0.13 0.00 -0.71 0.00 0.00 39.64 37.87 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 -3.07 0.00 -1.06 1.39 -2.24 0.63 -5.00 114.28 104.94 2kd0 n THR 45 Ca -0.41 -0.30 -0.02 0.00 -2.27 0.00 0.00 64.05 61.05 2kd0 n THR 45 Cb 1.03 0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.88 -4.50 -4.87 3.42 3.02 0.14 -5.01 115.26 105.58 2kd0 n ASN 46 Ca -0.01 0.05 -0.34 0.00 -0.03 0.00 0.00 54.58 54.25 2kd0 n ASN 46 Cb 0.40 -2.17 -0.05 0.00 -0.61 0.00 0.00 39.78 37.35 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 -1.65 5.01 0.32 2.41 0.11 -1.26 -5.05 120.40 120.30 2kd0 s VAL 47 Ca 0.00 0.48 -0.28 0.00 -2.93 0.00 0.00 61.98 59.25 2kd0 s VAL 47 Cb 0.00 -3.66 -0.09 0.00 -1.53 0.00 0.00 36.38 31.10 2kd0 s VAL 47 CO 0.00 0.16 1.15 -0.76 -3.33 0.00 0.00 175.10 172.32 2kd0 s LEU 48 N -2.23 4.43 0.57 2.54 1.43 -1.26 -4.65 118.68 119.51 2kd0 s LEU 48 Ca 0.39 2.35 0.29 0.00 -1.03 0.00 0.00 54.13 56.12 2kd0 s LEU 48 Cb -0.13 -3.75 1.73 0.00 0.03 0.00 0.00 46.19 44.07 2kd0 s LEU 48 CO 0.20 -0.34 2.22 1.55 0.23 0.00 0.00 176.35 180.21 2kd0 h PRO 49 N 3.41 0.00 -0.10 1.29 0.13 -1.93 -2.41 132.00 132.40 2kd0 h PRO 49 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kd0 h PRO 49 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kd0 h PRO 49 CO 0.65 0.02 0.06 -0.09 -0.23 0.00 0.00 178.00 178.42 2kd0 h ARG 50 N 0.00 0.13 -0.26 0.86 2.43 -2.00 -3.14 114.38 112.40 2kd0 h ARG 50 Ca -0.00 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 2kd0 h ARG 50 Cb 0.06 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2kd0 h ARG 50 CO 0.00 0.09 -0.51 0.78 -1.51 0.00 0.00 179.97 178.82 2kd0 h GLY 51 N 0.13 0.82 -7.33 2.80 0.00 -1.76 -3.42 103.07 94.31 2kd0 h GLY 51 Ca 0.04 -0.93 -0.16 0.00 0.00 0.00 0.00 47.33 46.28 2kd0 h GLY 51 CO -0.01 0.83 0.66 -1.06 0.00 0.00 0.00 176.54 176.97 2kd0 n GLN 52 N -4.00 0.56 -3.72 4.80 6.02 -1.03 -4.59 117.38 115.43 2kd0 n GLN 52 Ca -0.03 -0.55 -0.38 0.00 -0.01 0.00 0.00 57.00 56.03 2kd0 n GLN 52 Cb 0.60 -3.22 -0.12 0.00 1.02 0.00 0.00 30.24 28.52 2kd0 n GLN 52 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2kd0 s LYS 53 N 8.56 2.76 -0.96 -1.09 1.02 -1.23 -4.95 119.74 123.85 2kd0 s LYS 53 Ca 1.01 -1.09 -0.24 0.00 0.02 0.00 0.00 55.97 55.67 2kd0 s LYS 53 Cb -0.28 -3.51 0.02 0.00 -0.52 0.00 0.00 37.83 33.54 2kd0 s LYS 53 CO 0.20 -0.63 1.61 -0.51 -0.92 0.00 0.00 175.35 175.09 2kd0 s LEU 54 N 1.46 3.38 -0.45 3.17 1.43 -1.26 -2.79 118.68 123.62 2kd0 s LEU 54 Ca 0.00 -1.13 -0.21 0.00 -1.03 0.00 0.00 54.13 51.76 2kd0 s LEU 54 Cb -0.19 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.49 2kd0 s LEU 54 CO 0.04 -1.93 0.64 -0.63 0.23 0.00 0.00 176.35 174.70 2kd0 s ILE 55 N 6.69 4.83 -0.20 -0.59 1.01 0.08 -2.56 121.20 130.46 2kd0 s ILE 55 Ca 0.54 0.04 -0.04 0.00 0.00 0.00 0.00 60.65 61.18 2kd0 s ILE 55 Cb -0.03 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 2kd0 s ILE 55 CO -0.06 -0.63 -0.03 0.12 0.00 0.00 0.00 174.94 174.34 2kd0 s PHE 56 N 2.81 2.98 -1.73 3.97 5.36 0.37 -1.25 117.98 130.50 2kd0 s PHE 56 Ca 0.22 -0.66 0.00 0.00 -0.96 0.00 0.00 56.93 55.52 2kd0 s PHE 56 Cb -0.15 -2.06 0.00 0.00 -0.34 0.00 0.00 43.02 40.47 2kd0 s PHE 56 CO 0.18 -0.36 0.00 1.63 -1.46 0.00 0.00 175.22 175.22 2kd0 n LYS 57 N 4.37 -1.20 -0.50 10.12 4.76 -1.26 -1.04 118.16 133.42 2kd0 n LYS 57 Ca -0.18 1.07 0.00 0.00 -2.87 0.00 0.00 58.31 56.33 2kd0 n LYS 57 Cb 0.51 -5.29 0.00 0.00 -1.84 0.00 0.00 35.03 28.42 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 -0.85 0.75 2.96 0.72 0.00 -1.26 -5.06 105.19 102.45 2kd0 n GLY 58 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.50 1.54 0.27 1.61 2.20 -0.20 -5.08 119.74 119.57 2kd0 s LYS 59 Ca 0.00 -0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 55.01 2kd0 s LYS 59 Cb 0.00 -1.44 -0.09 0.00 -1.51 0.00 0.00 37.83 34.78 2kd0 s LYS 59 CO 0.00 -0.12 1.13 0.54 -0.36 0.00 0.00 175.35 176.54 2kd0 s VAL 60 N 1.19 3.42 0.40 4.02 0.11 -1.26 -0.48 120.40 127.80 2kd0 s VAL 60 Ca -0.05 1.40 -0.23 0.00 -2.93 0.00 0.00 61.98 60.17 2kd0 s VAL 60 Cb -0.14 -3.89 -0.10 0.00 -1.53 0.00 0.00 36.38 30.72 2kd0 s VAL 60 CO -0.02 0.32 0.99 -0.76 -3.33 0.00 0.00 175.10 172.30 2kd0 s LEU 61 N -1.32 4.10 0.10 2.54 2.01 -1.06 -4.92 118.68 120.13 2kd0 s LEU 61 Ca 0.46 1.88 -0.31 0.00 0.01 0.00 0.00 54.13 56.17 2kd0 s LEU 61 Cb -0.33 -4.29 -0.08 0.00 0.01 0.00 0.00 46.19 41.50 2kd0 s LEU 61 CO 0.42 -0.38 1.54 -0.69 1.01 0.00 0.00 176.35 178.25 2kd0 s VAL 62 N -1.83 3.03 0.54 -1.59 1.01 -1.26 -4.90 120.40 115.39 2kd0 s VAL 62 Ca 0.58 0.63 0.22 0.00 0.00 0.00 0.00 61.98 63.41 2kd0 s VAL 62 Cb -0.17 -3.40 0.33 0.00 0.00 0.00 0.00 36.38 33.14 2kd0 s VAL 62 CO 0.22 0.02 2.09 -0.33 0.00 0.00 0.00 175.10 177.10 2kd0 h GLU 63 N 7.47 0.00 -0.08 2.72 5.08 -1.94 0.88 114.58 128.70 2kd0 h GLU 63 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2kd0 h GLU 63 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2kd0 h GLU 63 CO 0.91 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 179.17 2kd0 n THR 64 N -4.36 0.11 -4.13 1.13 -2.24 -1.26 -3.50 114.28 100.03 2kd0 n THR 64 Ca 0.03 -0.16 -0.31 0.00 -2.27 0.00 0.00 64.05 61.34 2kd0 n THR 64 Cb 0.32 0.02 -0.08 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.50 5.18 0.51 3.42 0.15 0.30 -5.02 113.70 116.74 2kd0 s SER 65 Ca 0.27 -0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.77 2kd0 s SER 65 Cb 0.14 -1.29 -0.01 0.00 -1.71 0.00 0.00 66.02 63.14 2kd0 s SER 65 CO 0.21 0.19 0.80 0.42 1.20 0.00 0.00 173.24 176.06 2kd0 s THR 66 N -1.30 4.31 0.21 6.45 -4.23 -1.26 -1.83 115.64 117.98 2kd0 s THR 66 Ca 0.26 -0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.65 2kd0 s THR 66 Cb -0.12 -3.65 0.14 0.00 1.34 0.00 0.00 72.50 70.21 2kd0 s THR 66 CO 0.18 -0.61 1.81 -0.07 -0.54 0.00 0.00 174.62 175.39 2kd0 h LEU 67 N 0.14 0.55 -0.41 4.79 -0.00 -1.35 -0.57 115.31 118.46 2kd0 h LEU 67 Ca -0.46 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.44 2kd0 h LEU 67 Cb 1.23 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.79 2kd0 h LEU 67 CO 0.61 0.36 0.25 0.50 -0.00 0.00 0.00 178.44 180.15 2kd0 h LYS 68 N 0.68 0.55 -0.49 1.13 3.64 -1.58 0.12 116.57 120.62 2kd0 h LYS 68 Ca 0.29 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.56 2kd0 h LYS 68 Cb 0.17 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2kd0 h LYS 68 CO -0.17 0.40 0.02 1.96 -2.27 0.00 0.00 179.45 179.38 2kd0 h GLN 69 N 0.54 0.80 0.00 1.90 4.20 -1.76 -2.33 115.11 118.45 2kd0 h GLN 69 Ca 0.15 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2kd0 h GLN 69 Cb -0.02 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2kd0 h GLN 69 CO -0.03 0.79 0.00 0.43 -0.67 0.00 0.00 178.83 179.35 2kd0 n SER 70 N -4.23 0.00 -1.31 1.46 7.64 -0.24 -4.87 113.62 112.06 2kd0 n SER 70 Ca 0.03 -1.12 -0.17 0.00 1.01 0.00 0.00 58.87 58.61 2kd0 n SER 70 Cb 0.29 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.41 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 -0.93 -5.42 -4.46 6.43 8.00 -0.48 -4.93 116.55 114.75 2kd0 n ASP 71 Ca 0.20 0.42 -0.44 0.00 0.71 0.00 0.00 54.79 55.69 2kd0 n ASP 71 Cb 0.09 -4.43 -0.02 0.00 -0.02 0.00 0.00 41.12 36.74 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 -2.52 4.68 0.00 2.53 1.01 0.29 -4.96 120.40 121.43 2kd0 s VAL 72 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.35 2kd0 s VAL 72 Cb 0.00 -4.83 0.00 0.00 0.00 0.00 0.00 36.38 31.55 2kd0 s VAL 72 CO 0.00 -1.57 0.00 0.61 0.00 0.00 0.00 175.10 174.14 2kd0 n GLY 73 N 5.47 5.13 3.61 4.51 0.00 -1.26 -4.39 105.19 118.25 2kd0 n GLY 73 Ca 0.27 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 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 0.76 5.71 0.00 1.61 0.15 -1.26 -1.61 113.70 119.06 2kd0 s SER 74 Ca 0.00 1.72 0.00 0.00 0.70 0.00 0.00 55.95 58.37 2kd0 s SER 74 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2kd0 s SER 74 CO 0.00 -1.78 0.00 0.61 1.20 0.00 0.00 173.24 173.27 2kd0 n GLY 75 N 5.51 1.07 3.75 9.45 0.00 0.36 -4.85 105.19 120.47 2kd0 n GLY 75 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.03 3.45 -0.42 4.61 0.00 -0.63 -4.85 121.76 121.89 2kd0 s ALA 76 Ca 0.00 0.99 -0.08 0.00 0.00 0.00 0.00 51.96 52.88 2kd0 s ALA 76 Cb 0.00 -3.41 0.09 0.00 0.00 0.00 0.00 23.12 19.80 2kd0 s ALA 76 CO 0.00 -0.37 0.24 0.15 0.00 0.00 0.00 175.76 175.78 2kd0 s LYS 77 N -0.66 2.46 -0.10 0.00 1.02 -1.26 -0.93 119.74 120.28 2kd0 s LYS 77 Ca 0.51 -1.56 -0.21 0.00 0.02 0.00 0.00 55.97 54.74 2kd0 s LYS 77 Cb -0.34 -3.72 -0.04 0.00 -0.52 0.00 0.00 37.83 33.21 2kd0 s LYS 77 CO 0.40 -0.99 0.58 -0.51 -0.92 0.00 0.00 175.35 173.91 2kd0 s LEU 78 N 1.35 4.29 -0.51 3.17 1.43 0.76 -4.71 118.68 124.45 2kd0 s LEU 78 Ca 0.04 0.98 -0.21 0.00 -1.03 0.00 0.00 54.13 53.91 2kd0 s LEU 78 Cb -0.23 -2.87 0.05 0.00 0.03 0.00 0.00 46.19 43.17 2kd0 s LEU 78 CO 0.00 -0.06 0.71 -0.32 0.23 0.00 0.00 176.35 176.91 2kd0 s MET 79 N 0.75 3.19 -0.32 1.70 -2.45 -0.38 -0.66 119.30 121.13 2kd0 s MET 79 Ca 0.31 -0.69 -0.12 0.00 -1.25 0.00 0.00 55.69 53.94 2kd0 s MET 79 Cb -0.16 -4.08 -0.03 0.00 1.25 0.00 0.00 34.83 31.81 2kd0 s MET 79 CO 0.14 -1.27 0.22 -1.17 1.05 0.00 0.00 175.02 173.98 2kd0 s LEU 80 N 2.99 4.33 -0.45 4.11 2.96 -1.11 -0.74 118.68 130.77 2kd0 s LEU 80 Ca 0.20 -0.27 -0.27 0.00 -0.22 0.00 0.00 54.13 53.56 2kd0 s LEU 80 Cb -0.17 -2.13 0.03 0.00 0.50 0.00 0.00 46.19 44.42 2kd0 s LEU 80 CO 0.14 -0.17 1.04 -0.32 -1.32 0.00 0.00 176.35 175.73 2kd0 s MET 81 N 1.74 3.69 -0.01 1.98 -2.45 -1.12 -4.42 119.30 118.70 2kd0 s MET 81 Ca 0.06 0.45 0.04 0.00 -1.25 0.00 0.00 55.69 55.00 2kd0 s MET 81 Cb -0.17 -3.90 -0.01 0.00 1.25 0.00 0.00 34.83 32.01 2kd0 s MET 81 CO 0.11 -1.26 -0.13 0.00 1.05 0.00 0.00 175.02 174.79 2kd0 s ALA 82 N 4.08 1.06 -0.99 4.11 0.00 -1.26 -3.30 121.76 125.45 2kd0 s ALA 82 Ca 0.43 -0.56 -0.23 0.00 0.00 0.00 0.00 51.96 51.60 2kd0 s ALA 82 Cb -0.09 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.78 2kd0 s ALA 82 CO 0.28 0.26 1.67 -1.54 0.00 0.00 0.00 175.76 176.42 2kd0 s SER 83 N -0.34 5.93 -0.04 0.00 1.04 -1.26 -4.80 113.70 114.23 2kd0 s SER 83 Ca 0.05 -1.19 -0.01 0.00 0.48 0.00 0.00 55.95 55.27 2kd0 s SER 83 Cb -0.05 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.50 2kd0 s SER 83 CO -0.00 -2.03 -0.03 -0.61 0.98 0.00 0.00 173.24 171.55 2kd0 h GLN 84 N 10.29 0.00 0.00 4.02 -0.00 -1.99 -3.47 115.11 123.96 2kd0 h GLN 84 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.82 2kd0 h GLN 84 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.48 2kd0 h GLN 84 CO 1.34 0.00 0.00 0.41 0.00 0.00 0.00 178.83 180.58