#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 0.57 1.91 -5.12 0.00 -1.26 -3.90 105.19 97.39 2kd0 n GLY 2 Ca 0.00 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 2kd0 n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kd0 n HIS 3 N 3.75 -2.73 -1.65 1.61 -0.00 -1.26 -4.94 115.22 110.01 2kd0 n HIS 3 Ca 0.00 -1.01 -0.39 0.00 -0.00 0.00 0.00 57.72 56.32 2kd0 n HIS 3 Cb 0.00 -0.28 0.04 0.00 -0.00 0.00 0.00 29.99 29.75 2kd0 n HIS 3 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kd0 n HIS 4 N -1.70 1.27 -3.09 1.57 -0.00 -1.26 -1.47 115.22 110.54 2kd0 n HIS 4 Ca 0.08 0.46 -0.15 0.00 -0.00 0.00 0.00 57.72 58.11 2kd0 n HIS 4 Cb 0.29 -2.21 0.04 0.00 -0.00 0.00 0.00 29.99 28.11 2kd0 n HIS 4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kd0 n HIS 5 N -1.31 -1.71 -1.08 -1.40 -0.00 -1.26 -5.00 115.22 103.46 2kd0 n HIS 5 Ca 0.12 0.58 -0.35 0.00 -0.00 0.00 0.00 57.72 58.07 2kd0 n HIS 5 Cb 0.45 -3.51 0.09 0.00 -0.00 0.00 0.00 29.99 27.02 2kd0 n HIS 5 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kd0 n HIS 6 N -4.10 -0.90 -3.77 1.57 -0.00 -0.54 -5.04 115.22 102.44 2kd0 n HIS 6 Ca -0.01 0.31 -0.10 0.00 -0.00 0.00 0.00 57.72 57.92 2kd0 n HIS 6 Cb 0.55 -1.88 -0.06 0.00 -0.00 0.00 0.00 29.99 28.59 2kd0 n HIS 6 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kd0 s HIS 7 N -2.10 -0.00 -0.02 -1.40 -0.00 -1.25 -5.00 115.29 105.52 2kd0 s HIS 7 Ca 0.63 -0.34 -0.16 0.00 -0.00 0.00 0.00 55.06 55.18 2kd0 s HIS 7 Cb -0.29 0.07 -0.06 0.00 -0.00 0.00 0.00 32.58 32.30 2kd0 s HIS 7 CO 0.61 -0.58 0.45 -1.58 -0.00 0.00 0.00 174.74 173.63 2kd0 s HIS 8 N -3.61 3.69 -0.70 0.38 5.65 -1.26 -1.99 115.29 117.44 2kd0 s HIS 8 Ca 0.03 1.01 -0.26 0.00 0.25 0.00 0.00 55.06 56.09 2kd0 s HIS 8 Cb 0.03 -2.39 -0.08 0.00 -1.18 0.00 0.00 32.58 28.97 2kd0 s HIS 8 CO -0.10 0.52 2.19 -1.12 -0.65 0.00 0.00 174.74 175.58 2kd0 s SER 9 N -0.67 4.59 0.21 9.88 0.01 -1.26 -4.93 113.70 121.52 2kd0 s SER 9 Ca 0.25 0.20 0.11 0.00 1.31 0.00 0.00 55.95 57.82 2kd0 s SER 9 Cb -0.17 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 2kd0 s SER 9 CO 0.13 -3.07 -0.16 -2.28 0.41 0.00 0.00 173.24 168.28 2kd0 s HIS 10 N 11.92 2.44 -0.57 2.43 5.65 -1.26 -5.06 115.29 130.84 2kd0 s HIS 10 Ca 0.84 -0.30 -0.29 0.00 0.25 0.00 0.00 55.06 55.56 2kd0 s HIS 10 Cb -0.12 -1.16 -0.11 0.00 -1.18 0.00 0.00 32.58 30.00 2kd0 s HIS 10 CO 0.13 0.56 2.43 0.45 -0.65 0.00 0.00 174.74 177.66 2kd0 n SER 11 N -0.08 1.87 -4.15 9.88 2.88 -1.26 -4.92 113.62 117.84 2kd0 n SER 11 Ca -0.10 -0.14 -0.34 0.00 -1.33 0.00 0.00 58.87 56.97 2kd0 n SER 11 Cb 0.57 -1.37 -0.15 0.00 -0.75 0.00 0.00 64.21 62.51 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 10.36 2.53 0.36 2.46 -4.23 -1.26 -4.07 115.64 121.80 2kd0 s THR 12 Ca 1.09 -1.19 -0.20 0.00 -1.18 0.00 0.00 61.69 60.22 2kd0 s THR 12 Cb -0.56 -2.31 -0.10 0.00 1.34 0.00 0.00 72.50 70.87 2kd0 s THR 12 CO 0.36 0.19 0.86 0.27 -0.54 0.00 0.00 174.62 175.76 2kd0 s ILE 13 N 1.26 4.47 -0.44 2.99 -4.36 0.16 -4.74 121.20 120.53 2kd0 s ILE 13 Ca -0.02 1.35 -0.14 0.00 -0.26 0.00 0.00 60.65 61.58 2kd0 s ILE 13 Cb -0.17 -3.69 0.06 0.00 1.25 0.00 0.00 42.46 39.91 2kd0 s ILE 13 CO -0.06 -0.16 0.34 -0.54 0.24 0.00 0.00 174.94 174.76 2kd0 s LYS 14 N -2.84 2.92 0.37 0.37 1.02 -1.26 -1.88 119.74 118.44 2kd0 s LYS 14 Ca 0.56 -1.25 0.07 0.00 0.02 0.00 0.00 55.97 55.37 2kd0 s LYS 14 Cb -0.11 -4.02 -0.02 0.00 -0.52 0.00 0.00 37.83 33.15 2kd0 s LYS 14 CO 0.17 -0.92 0.38 -0.51 -0.92 0.00 0.00 175.35 173.54 2kd0 s LEU 15 N 1.62 3.59 -0.31 3.17 1.02 0.64 -1.67 118.68 126.74 2kd0 s LEU 15 Ca 0.04 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 53.67 2kd0 s LEU 15 Cb -0.22 -2.30 0.10 0.00 0.02 0.00 0.00 46.19 43.79 2kd0 s LEU 15 CO 0.07 -0.51 0.08 -0.89 0.02 0.00 0.00 176.35 175.12 2kd0 s THR 16 N -2.34 1.20 -0.52 5.49 2.01 -1.20 -1.17 115.64 119.11 2kd0 s THR 16 Ca 0.46 -1.57 -0.23 0.00 0.31 0.00 0.00 61.69 60.65 2kd0 s THR 16 Cb -0.06 -1.88 0.04 0.00 0.01 0.00 0.00 72.50 70.61 2kd0 s THR 16 CO 0.28 -0.62 0.87 -0.69 -0.69 0.00 0.00 174.62 173.78 2kd0 s VAL 17 N 1.46 4.50 -1.05 3.82 1.01 0.59 -0.15 120.40 130.57 2kd0 s VAL 17 Ca 0.09 0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.10 2kd0 s VAL 17 Cb -0.18 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.70 2kd0 s VAL 17 CO -0.20 -0.98 1.89 -0.54 0.00 0.00 0.00 175.10 175.27 2kd0 s LYS 18 N 3.65 2.71 -0.94 2.72 1.02 0.59 -1.19 119.74 128.29 2kd0 s LYS 18 Ca 0.29 -0.83 -0.24 0.00 0.02 0.00 0.00 55.97 55.21 2kd0 s LYS 18 Cb -0.13 -5.19 0.04 0.00 -0.52 0.00 0.00 37.83 32.03 2kd0 s LYS 18 CO 0.20 -3.46 1.41 0.12 -0.92 0.00 0.00 175.35 172.70 2kd0 s PHE 19 N 9.67 2.44 -1.42 3.18 5.36 0.86 -1.65 117.98 136.43 2kd0 s PHE 19 Ca 0.66 -0.58 0.00 0.00 -0.96 0.00 0.00 56.93 56.05 2kd0 s PHE 19 Cb -0.03 -4.67 0.00 0.00 -0.34 0.00 0.00 43.02 37.98 2kd0 s PHE 19 CO 0.05 -1.98 0.00 0.41 -1.46 0.00 0.00 175.22 172.24 2kd0 n GLY 20 N 6.45 -0.32 0.00 13.12 0.00 -1.09 -0.78 105.19 122.57 2kd0 n GLY 20 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.85 2.15 3.60 -0.02 0.00 -1.25 -4.97 105.19 103.85 2kd0 n GLY 21 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.13 3.49 -0.79 1.61 -0.14 0.04 -4.94 119.74 118.87 2kd0 s LYS 22 Ca 0.00 1.28 -0.25 0.00 -1.36 0.00 0.00 55.97 55.64 2kd0 s LYS 22 Cb 0.00 -4.11 -0.02 0.00 -1.68 0.00 0.00 37.83 32.02 2kd0 s LYS 22 CO 0.00 -1.67 1.80 -1.54 -0.76 0.00 0.00 175.35 173.18 2kd0 s SER 23 N 5.04 5.43 -0.47 2.83 1.04 -1.26 -0.09 113.70 126.21 2kd0 s SER 23 Ca 0.72 -0.36 -0.17 0.00 0.48 0.00 0.00 55.95 56.62 2kd0 s SER 23 Cb -0.20 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.43 2kd0 s SER 23 CO 0.33 -2.39 0.46 -0.63 0.98 0.00 0.00 173.24 171.99 2kd0 s ILE 24 N 8.76 5.10 -0.04 -1.02 -1.09 -0.34 -4.92 121.20 127.66 2kd0 s ILE 24 Ca 0.63 -0.74 -0.30 0.00 -2.23 0.00 0.00 60.65 58.01 2kd0 s ILE 24 Cb -0.08 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 2kd0 s ILE 24 CO 0.08 -0.60 1.21 -2.84 -1.23 0.00 0.00 174.94 171.56 2kd0 s PRO 25 N 2.02 4.36 0.14 2.79 0.02 -1.26 -0.30 135.00 142.76 2kd0 s PRO 25 Ca 0.09 1.70 0.04 0.00 0.02 0.00 0.00 61.00 62.85 2kd0 s PRO 25 Cb -0.21 -3.54 -0.04 0.00 0.02 0.00 0.00 34.50 30.73 2kd0 s PRO 25 CO 0.10 -0.43 -0.10 -0.51 -0.33 0.00 0.00 177.00 175.72 2kd0 s LEU 26 N 2.09 2.50 -0.27 -5.54 1.43 -0.32 -4.98 118.68 113.60 2kd0 s LEU 26 Ca 0.57 -0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2kd0 s LEU 26 Cb -0.26 -0.35 0.09 0.00 0.03 0.00 0.00 46.19 45.70 2kd0 s LEU 26 CO 0.23 -0.31 0.09 -0.94 0.23 0.00 0.00 176.35 175.65 2kd0 s SER 27 N -3.01 3.53 0.26 2.29 1.04 -1.26 -0.26 113.70 116.28 2kd0 s SER 27 Ca 0.14 -1.28 0.03 0.00 0.48 0.00 0.00 55.95 55.32 2kd0 s SER 27 Cb 0.01 -0.64 -0.05 0.00 0.10 0.00 0.00 66.02 65.44 2kd0 s SER 27 CO 0.01 -0.39 0.05 0.68 0.98 0.00 0.00 173.24 174.57 2kd0 s VAL 28 N 1.82 0.88 -0.07 5.02 -7.23 -0.79 -4.87 120.40 115.16 2kd0 s VAL 28 Ca 0.06 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 58.04 2kd0 s VAL 28 Cb -0.17 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.18 2kd0 s VAL 28 CO -0.22 -0.14 0.49 -0.94 -0.31 0.00 0.00 175.10 173.98 2kd0 s SER 29 N -3.34 6.77 0.39 4.85 1.04 -1.26 0.38 113.70 122.53 2kd0 s SER 29 Ca 0.33 0.92 0.27 0.00 0.48 0.00 0.00 55.95 57.95 2kd0 s SER 29 Cb 0.07 -2.30 1.43 0.00 0.10 0.00 0.00 66.02 65.32 2kd0 s SER 29 CO 0.12 0.07 1.82 1.55 0.98 0.00 0.00 173.24 177.78 2kd0 h PRO 30 N 6.15 0.00 0.00 4.02 0.13 -1.91 -1.55 132.00 138.84 2kd0 h PRO 30 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kd0 h PRO 30 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kd0 h PRO 30 CO 0.72 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.24 2kd0 n ASP 31 N -2.44 0.00 -4.84 1.44 9.92 -1.26 -1.01 116.55 118.36 2kd0 n ASP 31 Ca -0.02 0.05 -0.35 0.00 -0.53 0.00 0.00 54.79 53.95 2kd0 n ASP 31 Cb 0.06 -0.30 -0.06 0.00 -0.64 0.00 0.00 41.12 40.18 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 -1.65 4.24 0.47 0.00 -4.23 -1.26 -2.11 115.64 111.10 2kd0 s THR 33 Ca 0.45 1.29 0.31 0.00 -1.18 0.00 0.00 61.69 62.56 2kd0 s THR 33 Cb -0.14 -3.58 0.34 0.00 1.34 0.00 0.00 72.50 70.46 2kd0 s THR 33 CO 0.20 -0.40 2.16 -0.37 -0.54 0.00 0.00 174.62 175.66 2kd0 h VAL 34 N 1.48 0.44 -0.39 2.29 -1.51 -1.09 0.15 116.25 117.62 2kd0 h VAL 34 Ca -0.48 -0.33 -0.11 0.00 -1.23 0.00 0.00 66.70 64.55 2kd0 h VAL 34 Cb 1.19 1.22 -0.02 0.00 -2.13 0.00 0.00 31.29 31.56 2kd0 h VAL 34 CO 0.60 0.06 -0.19 0.50 -1.23 0.00 0.00 177.57 177.31 2kd0 h LYS 35 N 0.00 0.75 -0.01 5.19 3.64 -1.74 -2.59 116.57 121.81 2kd0 h LYS 35 Ca -0.00 -0.28 -0.08 0.00 -1.27 0.00 0.00 60.65 59.01 2kd0 h LYS 35 Cb 0.22 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2kd0 h LYS 35 CO 0.01 0.89 -0.38 0.22 -2.27 0.00 0.00 179.45 177.92 2kd0 h ASP 36 N 0.66 0.02 -0.87 4.20 3.58 -1.04 -1.63 116.42 121.34 2kd0 h ASP 36 Ca 0.10 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2kd0 h ASP 36 Cb 0.69 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.69 2kd0 h ASP 36 CO 0.05 0.40 0.55 -0.07 -2.88 0.00 0.00 179.24 177.29 2kd0 h LEU 37 N 0.02 1.03 -0.98 2.28 3.38 -0.99 0.31 115.31 120.36 2kd0 h LEU 37 Ca -0.00 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2kd0 h LEU 37 Cb 0.68 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2kd0 h LEU 37 CO 0.05 0.77 0.65 0.11 0.09 0.00 0.00 178.44 180.10 2kd0 h LYS 38 N 1.20 1.22 0.00 1.13 1.57 -0.95 0.32 116.57 121.06 2kd0 h LYS 38 Ca 0.32 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.95 2kd0 h LYS 38 Cb -0.09 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 31.93 2kd0 h LYS 38 CO -0.06 0.81 -0.35 1.03 -0.57 0.00 0.00 179.45 180.31 2kd0 h SER 39 N 1.26 0.00 0.29 0.86 0.87 -0.46 -0.80 113.55 115.56 2kd0 h SER 39 Ca 0.39 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.61 2kd0 h SER 39 Cb -0.02 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 2kd0 h SER 39 CO -0.12 0.35 -1.82 1.56 -0.53 0.00 0.00 176.83 176.27 2kd0 h GLN 40 N 0.00 0.20 0.00 2.24 4.20 0.04 -3.39 115.11 118.40 2kd0 h GLN 40 Ca -0.00 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.25 2kd0 h GLN 40 Cb 0.84 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 2kd0 h GLN 40 CO 0.05 1.01 -0.67 -0.07 -0.67 0.00 0.00 178.83 178.47 2kd0 h LEU 41 N 0.05 0.00 -0.27 1.46 3.38 -0.38 -3.36 115.31 116.19 2kd0 h LEU 41 Ca -0.35 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.64 2kd0 h LEU 41 Cb 2.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.76 2kd0 h LEU 41 CO 0.10 0.51 0.12 -0.61 0.09 0.00 0.00 178.44 178.65 2kd0 h GLN 42 N 0.00 0.26 0.00 1.13 4.15 -1.32 0.25 115.11 119.57 2kd0 h GLN 42 Ca -0.03 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2kd0 h GLN 42 Cb 1.41 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.05 2kd0 h GLN 42 CO 0.06 0.17 0.00 -0.35 -1.93 0.00 0.00 178.83 176.78 2kd0 n PRO 43 N -4.99 0.07 -0.08 -2.39 -0.04 -1.26 0.27 135.00 126.59 2kd0 n PRO 43 Ca -0.01 0.35 -0.23 0.00 -0.04 0.00 0.00 63.50 63.57 2kd0 n PRO 43 Cb 0.08 -1.65 -0.12 0.00 -0.04 0.00 0.00 33.50 31.76 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 -1.80 1.60 0.29 0.52 5.41 -0.55 -4.62 119.36 120.21 2kd0 n ILE 44 Ca 0.02 -0.33 0.10 0.00 1.00 0.00 0.00 62.75 63.54 2kd0 n ILE 44 Cb 0.17 -1.86 -0.14 0.00 -0.71 0.00 0.00 39.64 37.10 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 -4.01 0.00 -1.49 1.39 -2.24 0.76 -4.99 114.28 103.70 2kd0 n THR 45 Ca -0.38 -0.32 -0.16 0.00 -2.27 0.00 0.00 64.05 60.92 2kd0 n THR 45 Cb 0.86 0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.94 -4.97 -4.88 3.42 4.13 0.14 -5.00 115.26 106.16 2kd0 n ASN 46 Ca -0.01 0.40 -0.30 0.00 1.68 0.00 0.00 54.58 56.35 2kd0 n ASN 46 Cb 0.44 -3.91 -0.05 0.00 -1.54 0.00 0.00 39.78 34.72 2kd0 n ASN 46 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kd0 s VAL 47 N -2.61 5.14 0.50 2.41 0.11 -1.26 -5.06 120.40 119.63 2kd0 s VAL 47 Ca 0.00 -0.55 -0.21 0.00 -2.93 0.00 0.00 61.98 58.29 2kd0 s VAL 47 Cb 0.00 -3.52 -0.07 0.00 -1.53 0.00 0.00 36.38 31.26 2kd0 s VAL 47 CO 0.00 0.10 1.15 -0.76 -3.33 0.00 0.00 175.10 172.25 2kd0 s LEU 48 N -2.60 3.88 0.61 2.54 1.43 -1.26 -4.61 118.68 118.68 2kd0 s LEU 48 Ca 0.33 2.24 0.29 0.00 -1.03 0.00 0.00 54.13 55.97 2kd0 s LEU 48 Cb -0.12 -4.41 1.59 0.00 0.03 0.00 0.00 46.19 43.27 2kd0 s LEU 48 CO 0.26 -1.06 1.97 1.55 0.23 0.00 0.00 176.35 179.30 2kd0 h PRO 49 N 1.64 0.00 -0.30 1.29 0.13 -1.92 0.02 132.00 132.86 2kd0 h PRO 49 Ca -0.50 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 2kd0 h PRO 49 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2kd0 h PRO 49 CO 0.59 0.00 -0.01 -0.09 -0.23 0.00 0.00 178.00 178.26 2kd0 h ARG 50 N 0.00 0.53 0.00 0.86 2.43 -2.00 -3.09 114.38 113.11 2kd0 h ARG 50 Ca 0.12 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 2kd0 h ARG 50 Cb 0.83 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 2kd0 h ARG 50 CO -0.00 0.68 -0.58 0.78 -1.51 0.00 0.00 179.97 179.34 2kd0 h GLY 51 N 0.32 0.00 -7.40 2.80 0.00 -1.40 -3.40 103.07 93.99 2kd0 h GLY 51 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.12 2kd0 h GLY 51 CO 0.02 0.00 0.94 1.20 0.00 0.00 0.00 176.54 178.69 2kd0 s GLN 52 N -3.38 2.35 -0.53 4.80 -0.21 -0.55 -4.04 119.66 118.09 2kd0 s GLN 52 Ca 0.00 -1.03 -0.18 0.00 0.02 0.00 0.00 55.36 54.17 2kd0 s GLN 52 Cb 0.11 -5.20 0.08 0.00 1.00 0.00 0.00 33.01 29.00 2kd0 s GLN 52 CO 0.74 -4.13 0.57 0.15 -2.12 0.00 0.00 175.29 170.51 2kd0 s LYS 53 N 6.73 3.04 -0.26 2.91 1.02 -1.23 -4.94 119.74 127.01 2kd0 s LYS 53 Ca 0.70 -1.25 -0.26 0.00 0.02 0.00 0.00 55.97 55.18 2kd0 s LYS 53 Cb -0.02 -4.18 0.00 0.00 -0.52 0.00 0.00 37.83 33.11 2kd0 s LYS 53 CO 0.13 -1.27 0.90 -0.51 -0.92 0.00 0.00 175.35 173.68 2kd0 s LEU 54 N 2.23 4.07 -0.06 3.17 1.43 -1.26 -1.05 118.68 127.21 2kd0 s LEU 54 Ca 0.09 1.05 0.03 0.00 -1.03 0.00 0.00 54.13 54.27 2kd0 s LEU 54 Cb -0.23 -3.30 0.01 0.00 0.03 0.00 0.00 46.19 42.70 2kd0 s LEU 54 CO 0.08 -0.62 -0.13 -0.63 0.23 0.00 0.00 176.35 175.28 2kd0 s ILE 55 N 3.06 1.17 -0.05 -0.59 1.01 -0.00 -1.47 121.20 124.32 2kd0 s ILE 55 Ca 0.38 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.53 2kd0 s ILE 55 Cb -0.15 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.29 2kd0 s ILE 55 CO 0.09 0.36 -0.07 0.12 0.00 0.00 0.00 174.94 175.44 2kd0 s PHE 56 N 0.53 0.94 -2.16 3.97 5.36 -0.02 -1.36 117.98 125.24 2kd0 s PHE 56 Ca -0.12 -0.30 0.00 0.00 -0.96 0.00 0.00 56.93 55.55 2kd0 s PHE 56 Cb -0.15 -0.77 0.00 0.00 -0.34 0.00 0.00 43.02 41.76 2kd0 s PHE 56 CO 0.03 -0.21 0.00 1.63 -1.46 0.00 0.00 175.22 175.21 2kd0 n LYS 57 N 3.95 -1.46 -0.73 10.12 4.76 -1.26 -0.55 118.16 132.98 2kd0 n LYS 57 Ca -0.25 1.21 0.00 0.00 -2.87 0.00 0.00 58.31 56.40 2kd0 n LYS 57 Cb 0.51 -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 -0.36 0.63 3.34 0.72 0.00 -1.26 -5.05 105.19 103.21 2kd0 n GLY 58 Ca -0.20 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.30 3.42 0.03 1.61 2.20 0.28 -5.10 119.74 121.89 2kd0 s LYS 59 Ca 0.00 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 54.70 2kd0 s LYS 59 Cb 0.00 -2.99 -0.06 0.00 -1.51 0.00 0.00 37.83 33.27 2kd0 s LYS 59 CO 0.00 -0.13 1.34 0.54 -0.36 0.00 0.00 175.35 176.74 2kd0 s VAL 60 N 1.30 3.75 0.12 4.02 0.11 -1.26 -0.84 120.40 127.60 2kd0 s VAL 60 Ca 0.04 1.18 -0.30 0.00 -2.93 0.00 0.00 61.98 59.97 2kd0 s VAL 60 Cb -0.14 -3.76 -0.06 0.00 -1.53 0.00 0.00 36.38 30.88 2kd0 s VAL 60 CO -0.02 0.03 1.05 -0.76 -3.33 0.00 0.00 175.10 172.07 2kd0 s LEU 61 N 1.88 4.47 0.09 2.54 2.01 -0.54 -4.98 118.68 124.15 2kd0 s LEU 61 Ca 0.62 1.93 -0.31 0.00 0.01 0.00 0.00 54.13 56.38 2kd0 s LEU 61 Cb -0.31 -3.59 -0.08 0.00 0.01 0.00 0.00 46.19 42.22 2kd0 s LEU 61 CO 0.27 -0.19 1.42 -0.69 1.01 0.00 0.00 176.35 178.17 2kd0 s VAL 62 N 0.10 3.34 0.44 -1.59 1.01 -1.26 -4.87 120.40 117.57 2kd0 s VAL 62 Ca 0.50 0.92 0.20 0.00 0.00 0.00 0.00 61.98 63.59 2kd0 s VAL 62 Cb -0.26 -3.59 0.39 0.00 0.00 0.00 0.00 36.38 32.92 2kd0 s VAL 62 CO 0.32 0.05 1.87 -0.33 0.00 0.00 0.00 175.10 177.00 2kd0 h GLU 63 N 7.12 0.33 0.00 2.72 5.08 -1.94 0.12 114.58 128.01 2kd0 h GLU 63 Ca -0.41 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2kd0 h GLU 63 Cb 1.20 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2kd0 h GLU 63 CO 0.88 0.22 -0.03 0.25 -1.00 0.00 0.00 179.01 179.32 2kd0 n THR 64 N -4.47 0.27 -2.85 1.13 -2.24 -1.26 -2.70 114.28 102.16 2kd0 n THR 64 Ca 0.19 -0.13 -0.31 0.00 -2.27 0.00 0.00 64.05 61.53 2kd0 n THR 64 Cb 0.72 -0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 68.41 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 -3.69 6.60 0.41 3.42 0.01 0.42 -4.90 113.70 115.96 2kd0 s SER 65 Ca 0.12 1.24 0.08 0.00 1.31 0.00 0.00 55.95 58.70 2kd0 s SER 65 Cb 0.16 -2.36 -0.00 0.00 0.21 0.00 0.00 66.02 64.02 2kd0 s SER 65 CO 0.57 -0.39 0.50 0.42 0.41 0.00 0.00 173.24 174.75 2kd0 s THR 66 N -2.32 3.02 0.24 1.44 -4.23 -1.26 -0.75 115.64 111.78 2kd0 s THR 66 Ca 0.53 -1.10 -0.05 0.00 -1.18 0.00 0.00 61.69 59.88 2kd0 s THR 66 Cb -0.10 -3.04 0.19 0.00 1.34 0.00 0.00 72.50 70.88 2kd0 s THR 66 CO 0.28 -0.02 1.84 -0.07 -0.54 0.00 0.00 174.62 176.11 2kd0 h LEU 67 N 0.78 1.03 -0.79 4.79 -0.00 -1.27 0.00 115.31 119.86 2kd0 h LEU 67 Ca -0.41 -0.13 0.01 0.00 -0.00 0.00 0.00 57.88 57.35 2kd0 h LEU 67 Cb 1.27 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 41.63 2kd0 h LEU 67 CO 0.49 0.88 0.51 0.50 -0.00 0.00 0.00 178.44 180.82 2kd0 h LYS 68 N 1.12 1.04 -0.26 1.13 3.64 -1.31 0.14 116.57 122.07 2kd0 h LYS 68 Ca 0.27 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 2kd0 h LYS 68 Cb 0.13 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2kd0 h LYS 68 CO -0.03 0.70 -0.23 1.96 -2.27 0.00 0.00 179.45 179.58 2kd0 h GLN 69 N 1.07 0.49 -0.00 1.90 4.20 -1.72 -2.79 115.11 118.25 2kd0 h GLN 69 Ca 0.29 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2kd0 h GLN 69 Cb -0.11 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2kd0 h GLN 69 CO -0.06 0.69 -0.08 0.43 -0.67 0.00 0.00 178.83 179.13 2kd0 n SER 70 N -4.14 0.29 -1.52 1.46 7.64 -0.05 -4.92 113.62 112.38 2kd0 n SER 70 Ca -0.00 -0.37 -0.15 0.00 1.01 0.00 0.00 58.87 59.35 2kd0 n SER 70 Cb 0.39 -0.15 -0.03 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 -1.11 -4.69 -4.66 6.43 8.00 0.29 -4.99 116.55 115.81 2kd0 n ASP 71 Ca 0.14 0.13 -0.41 0.00 0.71 0.00 0.00 54.79 55.36 2kd0 n ASP 71 Cb 0.27 -3.71 -0.04 0.00 -0.02 0.00 0.00 41.12 37.61 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 -2.69 4.88 0.15 2.53 1.01 0.02 -5.01 120.40 121.28 2kd0 s VAL 72 Ca 0.00 1.60 0.03 0.00 0.00 0.00 0.00 61.98 63.60 2kd0 s VAL 72 Cb 0.00 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 2kd0 s VAL 72 CO 0.00 0.01 0.09 0.61 0.00 0.00 0.00 175.10 175.81 2kd0 n GLY 73 N 3.54 3.65 3.68 4.51 0.00 -1.26 -4.54 105.19 114.76 2kd0 n GLY 73 Ca 0.04 -1.85 -0.47 0.00 0.00 0.00 0.00 46.02 43.74 2kd0 n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kd0 n SER 74 N -2.21 3.43 0.00 1.61 7.64 -1.26 -1.19 113.62 121.63 2kd0 n SER 74 Ca 0.01 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2kd0 n SER 74 Cb 0.25 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 2kd0 n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kd0 n GLY 75 N 4.16 1.76 3.61 0.23 0.00 -0.67 -4.91 105.19 109.36 2kd0 n GLY 75 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.33 3.15 -0.45 4.61 0.00 -0.34 -4.92 121.76 121.49 2kd0 s ALA 76 Ca 0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 51.96 51.46 2kd0 s ALA 76 Cb 0.00 -3.89 0.03 0.00 0.00 0.00 0.00 23.12 19.26 2kd0 s ALA 76 CO 0.00 -2.22 0.68 0.15 0.00 0.00 0.00 175.76 174.37 2kd0 s LYS 77 N 4.56 3.29 0.84 0.00 1.02 -1.26 -3.21 119.74 124.98 2kd0 s LYS 77 Ca 0.53 -0.36 -0.08 0.00 0.02 0.00 0.00 55.97 56.08 2kd0 s LYS 77 Cb -0.11 -3.97 0.16 0.00 -0.52 0.00 0.00 37.83 33.40 2kd0 s LYS 77 CO 0.30 -1.07 1.16 -0.51 -0.92 0.00 0.00 175.35 174.31 2kd0 s LEU 78 N 2.94 2.84 -0.04 3.17 1.43 0.79 -4.87 118.68 124.93 2kd0 s LEU 78 Ca 0.24 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2kd0 s LEU 78 Cb -0.14 -2.14 0.03 0.00 0.03 0.00 0.00 46.19 43.96 2kd0 s LEU 78 CO 0.19 -2.30 -0.01 -0.32 0.23 0.00 0.00 176.35 174.14 2kd0 s MET 79 N -5.52 0.50 -0.39 1.70 -2.45 -0.46 -0.30 119.30 112.37 2kd0 s MET 79 Ca 0.70 0.05 -0.10 0.00 -1.25 0.00 0.00 55.69 55.09 2kd0 s MET 79 Cb -0.05 -0.70 0.05 0.00 1.25 0.00 0.00 34.83 35.38 2kd0 s MET 79 CO 0.49 -0.17 0.23 -1.17 1.05 0.00 0.00 175.02 175.44 2kd0 s LEU 80 N 1.29 4.89 -0.69 4.11 2.96 -0.66 -0.82 118.68 129.77 2kd0 s LEU 80 Ca -0.06 -1.20 -0.21 0.00 -0.22 0.00 0.00 54.13 52.44 2kd0 s LEU 80 Cb -0.13 -2.01 0.09 0.00 0.50 0.00 0.00 46.19 44.64 2kd0 s LEU 80 CO -0.02 -0.45 0.92 -0.32 -1.32 0.00 0.00 176.35 175.16 2kd0 s MET 81 N 1.50 3.17 0.27 1.98 -2.45 -0.21 -2.68 119.30 120.88 2kd0 s MET 81 Ca 0.02 -1.12 0.03 0.00 -1.25 0.00 0.00 55.69 53.36 2kd0 s MET 81 Cb -0.21 -4.35 -0.01 0.00 1.25 0.00 0.00 34.83 31.51 2kd0 s MET 81 CO 0.05 -1.74 0.30 0.00 1.05 0.00 0.00 175.02 174.68 2kd0 n ALA 82 N 7.14 0.17 0.07 4.11 0.00 -1.26 -3.49 120.51 127.26 2kd0 n ALA 82 Ca -0.01 -1.40 0.05 0.00 0.00 0.00 0.00 53.44 52.09 2kd0 n ALA 82 Cb 0.45 1.13 0.23 0.00 0.00 0.00 0.00 19.45 21.26 2kd0 n ALA 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kd0 n SER 83 N -1.87 3.44 -4.36 0.00 2.88 -1.26 -4.87 113.62 107.57 2kd0 n SER 83 Ca 0.03 -2.39 -0.19 0.00 -1.33 0.00 0.00 58.87 55.00 2kd0 n SER 83 Cb 0.46 -0.52 -0.10 0.00 -0.75 0.00 0.00 64.21 63.30 2kd0 n SER 83 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2kd0 s GLN 84 N -1.86 1.40 0.00 -1.46 -1.52 -1.26 -5.19 119.66 109.77 2kd0 s GLN 84 Ca 0.32 -1.69 0.00 0.00 -1.95 0.00 0.00 55.36 52.04 2kd0 s GLN 84 Cb 0.22 -0.88 0.00 0.00 -0.22 0.00 0.00 33.01 32.13 2kd0 s GLN 84 CO 0.13 -0.00 0.00 0.41 -0.25 0.00 0.00 175.29 175.58