#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 -0.12 -1.12 -5.12 0.00 -1.26 -5.07 107.32 94.64 2kd0 s GLY 2 Ca 0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 44.72 44.25 2kd0 s GLY 2 CO 0.00 -0.09 1.92 1.57 0.00 0.00 0.00 173.10 176.50 2kd0 n HIS 3 N -0.44 2.68 0.49 1.90 -0.00 -1.26 -4.56 115.22 114.03 2kd0 n HIS 3 Ca -0.06 -1.61 0.09 0.00 -0.00 0.00 0.00 57.72 56.15 2kd0 n HIS 3 Cb 0.60 -2.45 -0.13 0.00 -0.00 0.00 0.00 29.99 28.01 2kd0 n HIS 3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kd0 n HIS 4 N 12.73 0.00 -2.48 1.57 -0.00 -1.26 -4.92 115.22 120.87 2kd0 n HIS 4 Ca 0.46 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.76 2kd0 n HIS 4 Cb 0.45 -0.20 -0.03 0.00 -0.00 0.00 0.00 29.99 30.21 2kd0 n HIS 4 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kd0 s HIS 5 N -3.05 3.28 -0.01 1.57 0.00 -1.26 -5.04 115.29 110.78 2kd0 s HIS 5 Ca 0.01 1.28 0.00 0.00 -3.00 0.00 0.00 55.06 53.35 2kd0 s HIS 5 Cb 0.14 -3.39 0.01 0.00 -4.00 0.00 0.00 32.58 25.33 2kd0 s HIS 5 CO 0.80 -1.18 -0.01 -1.58 -1.00 0.00 0.00 174.74 171.77 2kd0 s HIS 6 N 1.88 0.19 -0.13 0.38 5.65 -1.26 -5.15 115.29 116.84 2kd0 s HIS 6 Ca 0.56 -0.00 -0.10 0.00 0.25 0.00 0.00 55.06 55.77 2kd0 s HIS 6 Cb -0.25 -0.21 0.04 0.00 -1.18 0.00 0.00 32.58 30.98 2kd0 s HIS 6 CO 0.24 -0.05 0.34 -1.58 -0.65 0.00 0.00 174.74 173.04 2kd0 s HIS 7 N 0.39 -0.42 0.01 3.88 2.46 -1.26 -5.17 115.29 115.19 2kd0 s HIS 7 Ca -0.04 0.98 -0.11 0.00 0.47 0.00 0.00 55.06 56.37 2kd0 s HIS 7 Cb -0.06 0.15 0.01 0.00 -0.13 0.00 0.00 32.58 32.55 2kd0 s HIS 7 CO -0.01 -0.23 0.21 -3.38 -2.47 0.00 0.00 174.74 168.87 2kd0 s HIS 8 N 0.66 -0.02 0.73 3.88 0.00 -1.26 -5.17 115.29 114.11 2kd0 s HIS 8 Ca -0.04 -0.07 -0.11 0.00 -3.00 0.00 0.00 55.06 51.84 2kd0 s HIS 8 Cb -0.05 0.01 0.04 0.00 -4.00 0.00 0.00 32.58 28.57 2kd0 s HIS 8 CO -0.04 -0.38 1.09 -1.12 -1.00 0.00 0.00 174.74 173.28 2kd0 s SER 9 N -1.66 4.81 0.07 7.38 0.01 -1.26 -5.08 113.70 117.97 2kd0 s SER 9 Ca -0.10 1.81 -0.12 0.00 1.31 0.00 0.00 55.95 58.84 2kd0 s SER 9 Cb -0.04 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.68 2kd0 s SER 9 CO 0.00 -1.83 0.28 -1.38 0.41 0.00 0.00 173.24 170.72 2kd0 s HIS 10 N -2.83 -0.03 -0.20 2.43 0.00 -1.26 -5.07 115.29 108.33 2kd0 s HIS 10 Ca 0.62 -0.22 0.12 0.00 -3.00 0.00 0.00 55.06 52.58 2kd0 s HIS 10 Cb -0.17 0.07 -0.23 0.00 -4.00 0.00 0.00 32.58 28.25 2kd0 s HIS 10 CO 0.53 -0.54 0.06 0.45 -1.00 0.00 0.00 174.74 174.24 2kd0 n SER 11 N 0.27 0.67 -4.55 7.38 2.88 -1.26 -4.92 113.62 114.08 2kd0 n SER 11 Ca -0.17 0.01 -0.42 0.00 -1.33 0.00 0.00 58.87 56.96 2kd0 n SER 11 Cb 0.61 0.47 -0.07 0.00 -0.75 0.00 0.00 64.21 64.47 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 -2.51 4.92 0.25 2.46 -4.23 -1.26 -4.33 115.64 110.94 2kd0 s THR 12 Ca -0.16 0.37 -0.29 0.00 -1.18 0.00 0.00 61.69 60.43 2kd0 s THR 12 Cb 0.07 -4.06 -0.09 0.00 1.34 0.00 0.00 72.50 69.75 2kd0 s THR 12 CO 0.77 -0.35 0.92 0.27 -0.54 0.00 0.00 174.62 175.70 2kd0 s ILE 13 N 2.61 4.13 -0.40 2.99 -4.36 0.18 -4.72 121.20 121.62 2kd0 s ILE 13 Ca 0.22 2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 62.39 2kd0 s ILE 13 Cb -0.15 -4.25 0.01 0.00 1.25 0.00 0.00 42.46 39.32 2kd0 s ILE 13 CO 0.15 0.44 0.67 -0.54 0.24 0.00 0.00 174.94 175.90 2kd0 s LYS 14 N -1.33 3.49 -0.01 0.37 1.02 -1.26 -1.77 119.74 120.24 2kd0 s LYS 14 Ca 0.42 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.30 2kd0 s LYS 14 Cb -0.24 -3.88 -0.04 0.00 -0.52 0.00 0.00 37.83 33.15 2kd0 s LYS 14 CO 0.30 -0.91 0.03 -0.51 -0.92 0.00 0.00 175.35 173.33 2kd0 s LEU 15 N 2.88 3.64 -0.34 3.17 1.43 0.86 -0.13 118.68 130.19 2kd0 s LEU 15 Ca 0.25 0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.37 2kd0 s LEU 15 Cb -0.14 -2.07 0.06 0.00 0.03 0.00 0.00 46.19 44.07 2kd0 s LEU 15 CO 0.18 0.29 0.09 -0.89 0.23 0.00 0.00 176.35 176.25 2kd0 s THR 16 N -1.10 3.39 -0.23 5.49 2.01 -0.40 -0.72 115.64 124.08 2kd0 s THR 16 Ca 0.20 -1.42 -0.21 0.00 0.31 0.00 0.00 61.69 60.57 2kd0 s THR 16 Cb -0.12 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.36 2kd0 s THR 16 CO 0.10 -0.26 0.66 -0.69 -0.69 0.00 0.00 174.62 173.75 2kd0 s VAL 17 N 1.29 4.98 -0.70 3.82 1.01 -0.30 -0.19 120.40 130.32 2kd0 s VAL 17 Ca -0.01 1.23 -0.20 0.00 0.00 0.00 0.00 61.98 62.99 2kd0 s VAL 17 Cb -0.20 -3.97 0.10 0.00 0.00 0.00 0.00 36.38 32.30 2kd0 s VAL 17 CO -0.00 0.05 0.91 -0.54 0.00 0.00 0.00 175.10 175.52 2kd0 s LYS 18 N 2.28 3.20 -1.48 2.72 1.02 0.12 -0.37 119.74 127.23 2kd0 s LYS 18 Ca 0.29 -1.21 -0.13 0.00 0.02 0.00 0.00 55.97 54.94 2kd0 s LYS 18 Cb -0.16 -4.38 -0.00 0.00 -0.52 0.00 0.00 37.83 32.77 2kd0 s LYS 18 CO 0.09 -1.71 2.42 1.19 -0.92 0.00 0.00 175.35 176.42 2kd0 n PHE 19 N 6.96 3.15 0.00 3.18 3.72 0.81 -0.96 117.46 134.32 2kd0 n PHE 19 Ca 0.00 -2.96 0.00 0.00 -0.05 0.00 0.00 57.45 54.44 2kd0 n PHE 19 Cb 0.45 -2.50 0.00 0.00 -0.94 0.00 0.00 39.48 36.49 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 3.97 1.21 0.08 1.37 0.00 -1.26 -2.46 105.19 108.11 2kd0 n GLY 20 Ca 0.59 0.32 -0.06 0.00 0.00 0.00 0.00 46.02 46.87 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 -1.02 3.76 -0.02 0.00 -1.26 -4.96 105.19 101.68 2kd0 n GLY 21 Ca 0.00 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.69 4.65 -0.31 1.61 -0.14 -1.03 -5.04 119.74 116.79 2kd0 s LYS 22 Ca -0.08 1.77 0.01 0.00 -1.36 0.00 0.00 55.97 56.31 2kd0 s LYS 22 Cb 0.08 -3.21 0.08 0.00 -1.68 0.00 0.00 37.83 33.09 2kd0 s LYS 22 CO 0.84 0.22 0.01 -1.54 -0.76 0.00 0.00 175.35 174.12 2kd0 s SER 23 N -0.80 4.77 -0.37 2.83 1.04 -1.26 -0.14 113.70 119.77 2kd0 s SER 23 Ca 0.45 -1.66 -0.20 0.00 0.48 0.00 0.00 55.95 55.02 2kd0 s SER 23 Cb -0.31 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.16 2kd0 s SER 23 CO 0.40 -0.31 0.61 -0.63 0.98 0.00 0.00 173.24 174.29 2kd0 s ILE 24 N 1.09 4.91 -0.08 -1.02 -1.09 0.51 -4.86 121.20 120.65 2kd0 s ILE 24 Ca -0.00 0.46 -0.30 0.00 -2.23 0.00 0.00 60.65 58.58 2kd0 s ILE 24 Cb -0.20 -4.07 -0.03 0.00 -1.58 0.00 0.00 42.46 36.58 2kd0 s ILE 24 CO -0.05 -0.34 1.22 -2.84 -1.23 0.00 0.00 174.94 171.71 2kd0 s PRO 25 N 2.66 4.32 0.13 2.79 0.02 -1.26 -1.15 135.00 142.50 2kd0 s PRO 25 Ca 0.23 1.68 0.06 0.00 0.02 0.00 0.00 61.00 62.99 2kd0 s PRO 25 Cb -0.15 -3.61 -0.04 0.00 0.02 0.00 0.00 34.50 30.73 2kd0 s PRO 25 CO 0.15 -0.52 -0.15 -0.51 -0.33 0.00 0.00 177.00 175.64 2kd0 s LEU 26 N 2.55 2.40 -0.24 -5.54 1.43 0.10 -5.00 118.68 114.38 2kd0 s LEU 26 Ca 0.56 -0.81 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2kd0 s LEU 26 Cb -0.24 -0.62 0.08 0.00 0.03 0.00 0.00 46.19 45.44 2kd0 s LEU 26 CO 0.20 -0.11 0.09 -0.94 0.23 0.00 0.00 176.35 175.82 2kd0 s SER 27 N -2.43 3.19 0.36 2.29 1.04 -1.26 -0.10 113.70 116.79 2kd0 s SER 27 Ca 0.10 -1.07 0.05 0.00 0.48 0.00 0.00 55.95 55.51 2kd0 s SER 27 Cb -0.06 -0.51 -0.03 0.00 0.10 0.00 0.00 66.02 65.53 2kd0 s SER 27 CO 0.04 -0.37 0.20 0.68 0.98 0.00 0.00 173.24 174.76 2kd0 s VAL 28 N 1.94 0.28 0.02 5.02 -7.23 -0.73 -4.82 120.40 114.88 2kd0 s VAL 28 Ca 0.05 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.00 2kd0 s VAL 28 Cb -0.17 -2.43 -0.06 0.00 0.56 0.00 0.00 36.38 34.29 2kd0 s VAL 28 CO -0.20 0.00 0.64 -0.44 -0.31 0.00 0.00 175.10 174.79 2kd0 s SER 29 N -3.47 7.06 0.55 4.85 0.01 -1.26 0.51 113.70 121.96 2kd0 s SER 29 Ca 0.33 1.26 0.32 0.00 1.31 0.00 0.00 55.95 59.17 2kd0 s SER 29 Cb 0.03 -2.39 1.60 0.00 0.21 0.00 0.00 66.02 65.46 2kd0 s SER 29 CO 0.21 0.11 2.10 1.55 0.41 0.00 0.00 173.24 177.61 2kd0 h PRO 30 N 5.45 0.00 0.00 12.44 0.13 -1.93 -2.03 132.00 146.05 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 0.08 0.00 -0.25 -0.23 0.00 0.00 178.00 178.29 2kd0 n ASP 31 N -3.41 0.69 -4.84 1.44 9.92 -1.26 -0.64 116.55 118.45 2kd0 n ASP 31 Ca -0.01 0.70 -0.32 0.00 -0.53 0.00 0.00 54.79 54.62 2kd0 n ASP 31 Cb 0.23 -0.83 -0.00 0.00 -0.64 0.00 0.00 41.12 39.88 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 -2.79 4.93 0.41 0.00 -4.23 -1.26 -2.04 115.64 110.67 2kd0 s THR 33 Ca 0.59 0.15 0.37 0.00 -1.18 0.00 0.00 61.69 61.62 2kd0 s THR 33 Cb -0.12 -3.82 0.39 0.00 1.34 0.00 0.00 72.50 70.29 2kd0 s THR 33 CO 0.42 -0.66 2.17 -0.37 -0.54 0.00 0.00 174.62 175.63 2kd0 h VAL 34 N 0.64 0.15 -0.12 2.29 -1.51 -1.26 -0.93 116.25 115.51 2kd0 h VAL 34 Ca -0.48 -0.31 -0.01 0.00 -1.23 0.00 0.00 66.70 64.68 2kd0 h VAL 34 Cb 1.20 1.26 -0.00 0.00 -2.13 0.00 0.00 31.29 31.61 2kd0 h VAL 34 CO 0.63 0.03 0.03 0.50 -1.23 0.00 0.00 177.57 177.53 2kd0 h LYS 35 N 0.00 0.19 -0.80 5.19 3.64 -1.68 -1.53 116.57 121.58 2kd0 h LYS 35 Ca -0.00 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2kd0 h LYS 35 Cb 0.26 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 2kd0 h LYS 35 CO 0.00 0.34 0.53 0.22 -2.27 0.00 0.00 179.45 178.27 2kd0 h ASP 36 N 0.00 0.81 -0.11 4.20 3.58 -1.49 -0.77 116.42 122.64 2kd0 h ASP 36 Ca 0.04 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.49 2kd0 h ASP 36 Cb 0.23 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2kd0 h ASP 36 CO -0.00 0.54 0.06 -0.07 -2.88 0.00 0.00 179.24 176.89 2kd0 h LEU 37 N 0.93 0.09 -0.61 2.28 3.38 -1.13 -0.99 115.31 119.26 2kd0 h LEU 37 Ca 0.33 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.39 2kd0 h LEU 37 Cb 0.14 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 2kd0 h LEU 37 CO -0.11 0.07 0.26 0.11 0.09 0.00 0.00 178.44 178.86 2kd0 h LYS 38 N 0.13 0.45 -0.26 1.13 1.57 -0.37 0.35 116.57 119.56 2kd0 h LYS 38 Ca 0.04 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2kd0 h LYS 38 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2kd0 h LYS 38 CO -0.03 0.29 0.18 1.03 -0.57 0.00 0.00 179.45 180.35 2kd0 h SER 39 N 0.46 0.22 0.61 0.86 0.87 -0.89 -1.91 113.55 113.77 2kd0 h SER 39 Ca 0.30 -0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.58 2kd0 h SER 39 Cb 0.34 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2kd0 h SER 39 CO -0.28 0.16 -1.44 1.56 -0.53 0.00 0.00 176.83 176.30 2kd0 h GLN 40 N 0.26 0.12 -0.09 2.24 4.20 0.32 -3.36 115.11 118.80 2kd0 h GLN 40 Ca 0.11 -0.20 -0.17 0.00 0.06 0.00 0.00 58.65 58.44 2kd0 h GLN 40 Cb 0.11 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2kd0 h GLN 40 CO -0.02 0.93 -0.67 -0.07 -0.67 0.00 0.00 178.83 178.33 2kd0 h LEU 41 N 0.03 0.43 -0.44 1.46 3.38 -0.04 -3.32 115.31 116.80 2kd0 h LEU 41 Ca -0.19 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.59 2kd0 h LEU 41 Cb 1.95 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 42.51 2kd0 h LEU 41 CO 0.13 0.97 0.08 1.56 0.09 0.00 0.00 178.44 181.27 2kd0 h GLN 42 N 0.26 0.20 0.00 1.13 4.20 -1.50 0.14 115.11 119.54 2kd0 h GLN 42 Ca -0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2kd0 h GLN 42 Cb 1.22 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2kd0 h GLN 42 CO 0.11 0.13 0.00 -1.00 -0.67 0.00 0.00 178.83 177.41 2kd0 h PRO 43 N 0.21 0.00 0.00 1.46 0.13 -1.77 -0.96 132.00 131.07 2kd0 h PRO 43 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 2kd0 h PRO 43 Cb 0.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.41 2kd0 h PRO 43 CO -0.30 0.00 -0.31 0.82 -0.23 0.00 0.00 178.00 177.98 2kd0 h ILE 44 N 0.00 0.00 -0.02 -3.56 2.04 -1.21 -3.42 117.51 111.35 2kd0 h ILE 44 Ca 0.00 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.18 2kd0 h ILE 44 Cb 0.46 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2kd0 h ILE 44 CO 0.00 0.00 -0.22 0.35 0.00 0.00 0.00 178.15 178.28 2kd0 n THR 45 N -3.88 0.00 -2.61 -0.27 -2.24 0.32 -4.98 114.28 100.62 2kd0 n THR 45 Ca -0.04 -0.39 -0.20 0.00 -2.27 0.00 0.00 64.05 61.14 2kd0 n THR 45 Cb 0.16 1.39 0.01 0.00 -2.10 0.00 0.00 70.33 69.78 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 0.71 -5.72 -4.82 3.42 3.02 -0.36 -4.98 115.26 106.53 2kd0 n ASN 46 Ca 0.12 -0.12 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 2kd0 n ASN 46 Cb 0.53 -4.67 -0.07 0.00 -0.61 0.00 0.00 39.78 34.97 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 -3.04 5.37 0.35 2.41 0.11 -1.26 -5.02 120.40 119.33 2kd0 s VAL 47 Ca 0.11 0.38 -0.27 0.00 -2.93 0.00 0.00 61.98 59.27 2kd0 s VAL 47 Cb -0.05 -3.51 -0.09 0.00 -1.53 0.00 0.00 36.38 31.20 2kd0 s VAL 47 CO 0.14 0.54 1.22 -0.76 -3.33 0.00 0.00 175.10 172.91 2kd0 s LEU 48 N -0.54 4.35 0.37 2.54 1.43 -1.26 -4.42 118.68 121.14 2kd0 s LEU 48 Ca 0.16 2.48 0.09 0.00 -1.03 0.00 0.00 54.13 55.82 2kd0 s LEU 48 Cb -0.13 -3.80 0.82 0.00 0.03 0.00 0.00 46.19 43.11 2kd0 s LEU 48 CO 0.05 -0.53 1.91 1.55 0.23 0.00 0.00 176.35 179.55 2kd0 h PRO 49 N 3.14 0.66 0.00 1.29 0.13 -1.93 0.16 132.00 135.45 2kd0 h PRO 49 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2kd0 h PRO 49 Cb 1.23 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2kd0 h PRO 49 CO 0.64 0.43 0.00 -0.09 -0.23 0.00 0.00 178.00 178.76 2kd0 h ARG 50 N 0.68 0.00 -0.02 0.86 2.43 -1.96 -1.62 114.38 114.75 2kd0 h ARG 50 Ca 0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2kd0 h ARG 50 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2kd0 h ARG 50 CO -0.16 0.00 -0.15 0.41 -1.51 0.00 0.00 179.97 178.56 2kd0 n GLY 51 N -0.57 0.25 3.30 2.80 0.00 0.46 -4.79 105.19 106.63 2kd0 n GLY 51 Ca -0.01 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 2kd0 n GLY 51 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kd0 n GLN 52 N 0.57 3.54 -2.75 1.61 6.02 -0.50 -2.78 117.38 123.09 2kd0 n GLN 52 Ca 0.09 -3.98 -0.42 0.00 -0.01 0.00 0.00 57.00 52.68 2kd0 n GLN 52 Cb 0.43 -2.88 -0.03 0.00 1.02 0.00 0.00 30.24 28.78 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 0.41 3.59 -0.34 -1.09 1.02 -1.26 -4.98 119.74 117.09 2kd0 s LYS 53 Ca 0.39 -1.44 -0.29 0.00 0.02 0.00 0.00 55.97 54.65 2kd0 s LYS 53 Cb -0.02 -5.11 0.01 0.00 -0.52 0.00 0.00 37.83 32.19 2kd0 s LYS 53 CO -0.01 -1.98 1.25 -0.51 -0.92 0.00 0.00 175.35 173.18 2kd0 s LEU 54 N 3.79 3.83 -0.07 3.17 1.43 -1.26 -3.11 118.68 126.46 2kd0 s LEU 54 Ca 0.39 1.04 0.04 0.00 -1.03 0.00 0.00 54.13 54.57 2kd0 s LEU 54 Cb -0.03 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2kd0 s LEU 54 CO -0.09 -1.10 -0.19 -0.63 0.23 0.00 0.00 176.35 174.57 2kd0 s ILE 55 N 4.36 1.61 -0.11 -0.59 1.01 0.56 -1.17 121.20 126.88 2kd0 s ILE 55 Ca 0.54 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.41 2kd0 s ILE 55 Cb -0.14 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 40.95 2kd0 s ILE 55 CO 0.24 0.46 -0.10 0.12 0.00 0.00 0.00 174.94 175.66 2kd0 s PHE 56 N 0.27 1.62 -1.92 3.97 5.36 0.43 -0.06 117.98 127.66 2kd0 s PHE 56 Ca -0.11 -0.79 0.00 0.00 -0.96 0.00 0.00 56.93 55.06 2kd0 s PHE 56 Cb -0.15 -1.28 0.00 0.00 -0.34 0.00 0.00 43.02 41.26 2kd0 s PHE 56 CO 0.05 -0.50 0.00 1.63 -1.46 0.00 0.00 175.22 174.94 2kd0 n LYS 57 N 4.67 -1.59 -0.25 10.12 4.76 -1.26 -0.73 118.16 133.88 2kd0 n LYS 57 Ca -0.16 1.07 0.00 0.00 -2.87 0.00 0.00 58.31 56.36 2kd0 n LYS 57 Cb 0.50 -5.59 0.00 0.00 -1.84 0.00 0.00 35.03 28.11 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 -0.68 1.12 3.74 0.72 0.00 -1.26 -5.05 105.19 103.78 2kd0 n GLY 58 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 4.27 -0.18 1.61 2.20 0.10 -5.06 119.74 122.16 2kd0 s LYS 59 Ca 0.00 0.40 -0.24 0.00 -0.36 0.00 0.00 55.97 55.77 2kd0 s LYS 59 Cb 0.00 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 2kd0 s LYS 59 CO 0.00 0.25 0.76 0.08 -0.36 0.00 0.00 175.35 176.08 2kd0 s VAL 60 N 0.33 4.93 0.03 4.02 1.01 -1.26 -0.43 120.40 129.02 2kd0 s VAL 60 Ca 0.24 1.47 -0.28 0.00 0.00 0.00 0.00 61.98 63.41 2kd0 s VAL 60 Cb -0.15 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2kd0 s VAL 60 CO 0.10 0.05 0.88 -0.76 0.00 0.00 0.00 175.10 175.37 2kd0 s LEU 61 N 2.10 4.41 0.14 3.92 2.01 -0.31 -5.00 118.68 125.94 2kd0 s LEU 61 Ca 0.35 1.57 -0.20 0.00 0.01 0.00 0.00 54.13 55.86 2kd0 s LEU 61 Cb -0.16 -3.42 -0.07 0.00 0.01 0.00 0.00 46.19 42.54 2kd0 s LEU 61 CO 0.11 -0.12 0.65 -0.69 1.01 0.00 0.00 176.35 177.31 2kd0 s VAL 62 N 0.47 4.62 0.30 -1.59 1.01 -1.26 -4.77 120.40 119.19 2kd0 s VAL 62 Ca 0.45 1.31 0.05 0.00 0.00 0.00 0.00 61.98 63.80 2kd0 s VAL 62 Cb -0.21 -3.93 0.33 0.00 0.00 0.00 0.00 36.38 32.57 2kd0 s VAL 62 CO 0.26 0.44 1.63 -0.33 0.00 0.00 0.00 175.10 177.11 2kd0 h GLU 63 N 4.15 0.18 0.00 2.72 5.08 -1.97 0.10 114.58 124.84 2kd0 h GLU 63 Ca -0.49 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2kd0 h GLU 63 Cb 1.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kd0 h GLU 63 CO 0.65 0.12 0.00 0.25 -1.00 0.00 0.00 179.01 179.02 2kd0 n THR 64 N -5.24 0.79 -2.90 1.13 -2.24 -1.26 -2.21 114.28 102.34 2kd0 n THR 64 Ca 0.24 0.15 -0.38 0.00 -2.27 0.00 0.00 64.05 61.79 2kd0 n THR 64 Cb 0.77 -1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 67.87 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 -4.30 7.32 0.24 3.42 0.15 0.02 -4.91 113.70 115.65 2kd0 s SER 65 Ca 0.05 1.70 0.01 0.00 0.70 0.00 0.00 55.95 58.41 2kd0 s SER 65 Cb 0.10 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 2kd0 s SER 65 CO 0.43 0.05 0.43 0.42 1.20 0.00 0.00 173.24 175.76 2kd0 s THR 66 N -1.43 5.19 0.25 6.45 -4.23 -1.26 -1.22 115.64 119.38 2kd0 s THR 66 Ca 0.44 -0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 60.40 2kd0 s THR 66 Cb -0.20 -3.79 0.24 0.00 1.34 0.00 0.00 72.50 70.09 2kd0 s THR 66 CO 0.25 -0.30 1.88 -0.07 -0.54 0.00 0.00 174.62 175.84 2kd0 h LEU 67 N 1.55 0.98 -0.02 4.79 -0.00 -1.29 -1.10 115.31 120.22 2kd0 h LEU 67 Ca -0.49 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.39 2kd0 h LEU 67 Cb 1.20 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 41.65 2kd0 h LEU 67 CO 0.65 0.66 0.01 0.50 -0.00 0.00 0.00 178.44 180.26 2kd0 h LYS 68 N 1.14 0.03 0.00 1.13 3.64 -1.09 0.19 116.57 121.61 2kd0 h LYS 68 Ca 0.38 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2kd0 h LYS 68 Cb 0.06 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2kd0 h LYS 68 CO -0.14 0.08 0.00 1.96 -2.27 0.00 0.00 179.45 179.08 2kd0 h GLN 69 N -0.03 0.00 -0.07 1.90 4.20 -1.77 -0.68 115.11 118.66 2kd0 h GLN 69 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2kd0 h GLN 69 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2kd0 h GLN 69 CO -0.00 0.00 0.00 0.45 -0.67 0.00 0.00 178.83 178.61 2kd0 n SER 70 N -2.93 1.37 -0.96 1.46 2.88 -0.44 -4.93 113.62 110.08 2kd0 n SER 70 Ca 0.01 -1.53 -0.13 0.00 -1.33 0.00 0.00 58.87 55.89 2kd0 n SER 70 Cb 0.31 -0.04 -0.05 0.00 -0.75 0.00 0.00 64.21 63.68 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 0.09 -4.84 -4.61 -3.46 8.00 -0.26 -4.96 116.55 106.51 2kd0 n ASP 71 Ca 0.18 0.31 -0.43 0.00 0.71 0.00 0.00 54.79 55.56 2kd0 n ASP 71 Cb 0.31 -3.45 -0.02 0.00 -0.02 0.00 0.00 41.12 37.94 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 -2.36 3.82 0.40 2.53 1.01 0.60 -4.99 120.40 121.42 2kd0 s VAL 72 Ca 0.00 0.88 0.06 0.00 0.00 0.00 0.00 61.98 62.92 2kd0 s VAL 72 Cb 0.00 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.47 2kd0 s VAL 72 CO 0.00 -0.52 0.48 0.61 0.00 0.00 0.00 175.10 175.66 2kd0 n GLY 73 N 4.89 2.24 3.60 4.51 0.00 -1.26 -4.41 105.19 114.75 2kd0 n GLY 73 Ca 0.18 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 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 -3.47 5.75 0.00 1.61 1.04 -1.26 -2.17 113.70 115.20 2kd0 s SER 74 Ca 0.36 1.47 0.00 0.00 0.48 0.00 0.00 55.95 58.26 2kd0 s SER 74 Cb -0.03 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2kd0 s SER 74 CO 0.23 -1.79 0.00 0.61 0.98 0.00 0.00 173.24 173.27 2kd0 n GLY 75 N 5.53 1.17 3.75 7.32 0.00 0.81 -4.87 105.19 118.91 2kd0 n GLY 75 Ca 0.25 0.00 -0.40 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 -2.00 3.37 -0.51 4.61 0.00 -0.92 -4.87 121.76 121.44 2kd0 s ALA 76 Ca 0.00 0.75 -0.17 0.00 0.00 0.00 0.00 51.96 52.54 2kd0 s ALA 76 Cb 0.00 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 19.94 2kd0 s ALA 76 CO 0.00 0.04 0.51 0.15 0.00 0.00 0.00 175.76 176.46 2kd0 s LYS 77 N -1.33 3.02 -0.02 0.00 1.02 -1.26 -1.27 119.74 119.89 2kd0 s LYS 77 Ca 0.43 -1.34 -0.14 0.00 0.02 0.00 0.00 55.97 54.94 2kd0 s LYS 77 Cb -0.29 -4.18 -0.05 0.00 -0.52 0.00 0.00 37.83 32.79 2kd0 s LYS 77 CO 0.36 -1.21 0.37 -0.51 -0.92 0.00 0.00 175.35 173.44 2kd0 s LEU 78 N 1.97 4.45 -0.14 3.17 1.43 0.73 -4.75 118.68 125.54 2kd0 s LEU 78 Ca 0.07 0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 53.92 2kd0 s LEU 78 Cb -0.25 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.41 2kd0 s LEU 78 CO 0.07 0.32 0.30 -0.32 0.23 0.00 0.00 176.35 176.95 2kd0 s MET 79 N -0.96 4.17 -0.32 1.70 -2.45 0.92 0.11 119.30 122.47 2kd0 s MET 79 Ca 0.22 0.13 0.01 0.00 -1.25 0.00 0.00 55.69 54.81 2kd0 s MET 79 Cb -0.16 -3.39 0.10 0.00 1.25 0.00 0.00 34.83 32.63 2kd0 s MET 79 CO 0.12 0.32 0.08 -1.17 1.05 0.00 0.00 175.02 175.41 2kd0 s LEU 80 N 0.21 3.16 -0.90 4.11 2.96 -0.14 -0.32 118.68 127.77 2kd0 s LEU 80 Ca 0.18 -1.82 -0.18 0.00 -0.22 0.00 0.00 54.13 52.09 2kd0 s LEU 80 Cb -0.13 -1.15 0.14 0.00 0.50 0.00 0.00 46.19 45.55 2kd0 s LEU 80 CO 0.05 -0.40 1.06 -0.32 -1.32 0.00 0.00 176.35 175.43 2kd0 s MET 81 N 1.36 3.57 0.00 1.98 -2.45 -1.18 -3.98 119.30 118.59 2kd0 s MET 81 Ca 0.10 -1.80 -0.15 0.00 -1.25 0.00 0.00 55.69 52.59 2kd0 s MET 81 Cb -0.18 -4.81 -0.06 0.00 1.25 0.00 0.00 34.83 31.03 2kd0 s MET 81 CO -0.19 -1.71 0.41 0.00 1.05 0.00 0.00 175.02 174.59 2kd0 s ALA 82 N 2.43 3.69 -0.29 4.11 0.00 -1.26 -4.04 121.76 126.40 2kd0 s ALA 82 Ca 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.04 2kd0 s ALA 82 Cb -0.06 -2.39 0.19 0.00 0.00 0.00 0.00 23.12 20.85 2kd0 s ALA 82 CO -0.08 0.48 0.74 0.45 0.00 0.00 0.00 175.76 177.34 2kd0 s SER 83 N -1.07 -1.21 -0.91 0.00 0.15 -1.12 -5.06 113.70 104.49 2kd0 s SER 83 Ca 0.24 0.26 -0.24 0.00 0.70 0.00 0.00 55.95 56.91 2kd0 s SER 83 Cb -0.17 1.82 -0.02 0.00 -1.71 0.00 0.00 66.02 65.94 2kd0 s SER 83 CO 0.14 -0.22 1.78 -1.10 1.20 0.00 0.00 173.24 175.03 2kd0 s GLN 84 N 2.88 2.87 0.00 5.44 -0.21 -1.26 -4.35 119.66 125.03 2kd0 s GLN 84 Ca 0.15 -0.45 0.23 0.00 0.02 0.00 0.00 55.36 55.31 2kd0 s GLN 84 Cb -0.09 -5.06 0.18 0.00 1.00 0.00 0.00 33.01 29.04 2kd0 s GLN 84 CO -0.23 -2.96 1.23 0.41 -2.12 0.00 0.00 175.29 171.61