#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dh0 s HIS 5 N 0.00 1.89 1.01 0.00 -0.00 -1.26 -4.63 115.29 112.30 3dh0 s HIS 5 Ca 0.00 -0.26 -0.19 0.00 -0.00 0.00 0.00 55.06 54.62 3dh0 s HIS 5 Cb 0.00 -2.85 -0.05 0.00 -0.00 0.00 0.00 32.58 29.68 3dh0 s HIS 5 CO 0.00 -1.44 -0.47 1.17 -0.00 0.00 0.00 174.74 174.01 3dh0 n LYS 6 N -2.64 -0.44 -3.30 -0.38 3.00 -1.26 -4.93 118.16 108.21 3dh0 n LYS 6 Ca 0.13 -0.11 -0.38 0.00 -0.00 0.00 0.00 58.31 57.95 3dh0 n LYS 6 Cb 0.60 -1.39 -0.06 0.00 0.00 0.00 0.00 35.03 34.19 3dh0 n LYS 6 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3dh0 s PHE 7 N -2.16 3.63 -0.43 5.64 5.36 -1.26 -5.02 117.98 123.75 3dh0 s PHE 7 Ca 0.47 1.05 -0.28 0.00 -0.96 0.00 0.00 56.93 57.21 3dh0 s PHE 7 Cb -0.11 -2.53 -0.01 0.00 -0.34 0.00 0.00 43.02 40.02 3dh0 s PHE 7 CO 0.71 0.34 1.75 0.34 -1.46 0.00 0.00 175.22 176.90 3dh0 s ASP 8 N -0.05 5.79 0.53 6.13 -1.08 -1.26 -4.87 116.67 121.87 3dh0 s ASP 8 Ca 0.28 0.94 0.29 0.00 -0.52 0.00 0.00 52.55 53.54 3dh0 s ASP 8 Cb -0.17 -2.53 1.45 0.00 -1.46 0.00 0.00 42.92 40.21 3dh0 s ASP 8 CO 0.14 -1.85 1.93 -0.65 0.52 0.00 0.00 175.17 175.26 3dh0 h PRO 9 N 13.07 0.01 0.00 4.34 0.11 -2.00 -0.16 132.00 147.37 3dh0 h PRO 9 Ca -0.30 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 3dh0 h PRO 9 Cb 1.16 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3dh0 h PRO 9 CO 1.09 0.01 -0.01 0.66 -0.21 0.00 0.00 178.00 179.53 3dh0 h SER 10 N 0.01 0.00 -0.55 -2.05 4.64 -2.04 -1.11 113.55 112.45 3dh0 h SER 10 Ca 0.37 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.49 3dh0 h SER 10 Cb 1.46 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.43 3dh0 h SER 10 CO -0.01 0.01 0.16 0.29 -0.87 0.00 0.00 176.83 176.42 3dh0 n LYS 11 N -4.28 2.81 -0.16 4.77 5.02 -0.07 -4.65 118.16 121.58 3dh0 n LYS 11 Ca -0.03 -3.05 0.14 0.00 -2.02 0.00 0.00 58.31 53.35 3dh0 n LYS 11 Cb 0.10 -2.01 0.48 0.00 -0.02 0.00 0.00 35.03 33.58 3dh0 n LYS 11 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3dh0 h ILE 12 N 1.77 0.83 -0.47 -0.18 2.10 -1.24 0.15 117.51 120.47 3dh0 h ILE 12 Ca 0.24 -0.16 0.14 0.00 1.08 0.00 0.00 64.86 66.16 3dh0 h ILE 12 Cb 2.02 0.32 -0.02 0.00 -1.09 0.00 0.00 36.82 38.05 3dh0 h ILE 12 CO 0.57 0.09 0.36 0.50 -1.08 0.00 0.00 178.15 178.58 3dh0 h LYS 13 N 0.47 0.00 -1.00 2.19 1.63 -1.83 0.99 116.57 119.01 3dh0 h LYS 13 Ca 0.36 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 60.25 3dh0 h LYS 13 Cb 0.75 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.30 3dh0 h LYS 13 CO -0.12 0.00 0.64 0.87 -3.45 0.00 0.00 179.45 177.39 3dh0 h LYS 14 N 0.00 1.07 0.00 1.90 1.57 -1.06 -1.54 116.57 118.51 3dh0 h LYS 14 Ca 0.23 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3dh0 h LYS 14 Cb 0.94 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3dh0 h LYS 14 CO -0.00 0.71 0.00 1.28 -0.57 0.00 0.00 179.45 180.87 3dh0 n LEU 15 N -4.55 0.30 -0.80 2.94 4.77 0.34 -2.45 117.00 117.57 3dh0 n LEU 15 Ca 0.17 0.57 0.09 0.00 -0.03 0.00 0.00 56.01 56.81 3dh0 n LEU 15 Cb 0.25 -0.52 0.12 0.00 -2.33 0.00 0.00 43.42 40.94 3dh0 n LEU 15 CO 0.30 -0.35 0.58 -0.67 -1.33 0.00 0.00 177.39 175.92 3dh0 n ASP 16 N -1.83 2.75 -4.61 -1.43 4.64 -0.59 -4.60 116.55 110.88 3dh0 n ASP 16 Ca 0.03 -1.81 -0.43 0.00 -1.38 0.00 0.00 54.79 51.20 3dh0 n ASP 16 Cb 0.22 -0.09 -0.03 0.00 -1.04 0.00 0.00 41.12 40.18 3dh0 n ASP 16 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3dh0 s ASP 17 N -1.38 5.74 0.00 1.67 3.68 -1.02 -4.84 116.67 120.52 3dh0 s ASP 17 Ca 0.25 1.89 0.00 0.00 2.13 0.00 0.00 52.55 56.82 3dh0 s ASP 17 Cb 0.16 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 39.11 3dh0 s ASP 17 CO 0.23 -1.73 0.26 -0.81 0.13 0.00 0.00 175.17 173.25 3dh0 n PRO 18 N 8.44 0.00 0.11 4.34 -0.04 -1.26 -0.42 135.00 146.17 3dh0 n PRO 18 Ca 0.26 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 3dh0 n PRO 18 Cb 0.45 -1.41 0.31 0.00 -0.04 0.00 0.00 33.50 32.81 3dh0 n PRO 18 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3dh0 h SER 19 N 0.00 0.00 -0.00 3.54 4.64 -1.95 -3.23 113.55 116.54 3dh0 h SER 19 Ca 0.00 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3dh0 h SER 19 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dh0 h SER 19 CO 0.00 0.02 -0.00 0.03 -0.87 0.00 0.00 176.83 176.01 3dh0 h ARG 20 N 0.00 0.02 -0.80 4.77 2.47 -1.12 -2.06 114.38 117.66 3dh0 h ARG 20 Ca 0.00 -0.00 0.23 0.00 -1.26 0.00 0.00 59.98 58.95 3dh0 h ARG 20 Cb 0.79 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.07 3dh0 h ARG 20 CO 0.00 0.03 0.66 -0.07 0.56 0.00 0.00 179.97 181.15 3dh0 h LEU 21 N 0.02 0.00 -0.67 3.04 3.38 -1.80 0.24 115.31 119.53 3dh0 h LEU 21 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dh0 h LEU 21 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3dh0 h LEU 21 CO 0.00 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.20 3dh0 h GLU 22 N 0.00 0.00 -0.35 1.13 5.08 -1.63 -3.03 114.58 115.78 3dh0 h GLU 22 Ca 0.38 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.64 3dh0 h GLU 22 Cb 1.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 3dh0 h GLU 22 CO -0.00 0.00 -0.17 -0.07 -1.00 0.00 0.00 179.01 177.76 3dh0 h LEU 23 N 0.00 0.76 -7.08 1.33 -0.00 -0.71 -3.48 115.31 106.14 3dh0 h LEU 23 Ca 0.00 -0.41 0.31 0.00 -0.00 0.00 0.00 57.88 57.78 3dh0 h LEU 23 Cb 0.52 -0.21 -0.16 0.00 -0.00 0.00 0.00 40.66 40.81 3dh0 h LEU 23 CO 0.00 1.00 0.87 0.72 -0.00 0.00 0.00 178.44 181.03 3dh0 s PHE 24 N -4.62 -0.06 -0.45 1.13 -0.12 -1.14 -4.19 117.98 108.52 3dh0 s PHE 24 Ca -0.12 0.01 -0.21 0.00 -0.05 0.00 0.00 56.93 56.55 3dh0 s PHE 24 Cb 0.10 0.52 0.03 0.00 -0.63 0.00 0.00 43.02 43.04 3dh0 s PHE 24 CO 0.82 -0.17 0.68 0.34 -0.05 0.00 0.00 175.22 176.84 3dh0 s ASP 25 N -2.51 6.33 0.25 1.98 2.15 -1.26 -4.69 116.67 118.92 3dh0 s ASP 25 Ca 0.12 -0.36 -0.03 0.00 0.43 0.00 0.00 52.55 52.71 3dh0 s ASP 25 Cb 0.02 -2.33 0.52 0.00 -0.30 0.00 0.00 42.92 40.83 3dh0 s ASP 25 CO -0.04 -0.84 1.71 -0.65 -0.17 0.00 0.00 175.17 175.18 3dh0 h PRO 26 N 8.93 0.38 0.18 4.34 0.11 -1.98 -0.33 132.00 143.63 3dh0 h PRO 26 Ca -0.25 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.84 3dh0 h PRO 26 Cb 1.09 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3dh0 h PRO 26 CO 0.92 0.25 -0.27 0.93 -0.21 0.00 0.00 178.00 179.62 3dh0 h GLU 27 N 0.39 -0.50 0.14 1.05 4.39 -1.95 -0.58 114.58 117.52 3dh0 h GLU 27 Ca 0.45 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.19 3dh0 h GLU 27 Cb 0.74 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 3dh0 h GLU 27 CO -0.46 -0.34 -0.36 -0.22 -1.16 0.00 0.00 179.01 176.47 3dh0 h LYS 28 N -0.52 -0.54 0.36 2.33 1.63 -1.62 -1.88 116.57 116.33 3dh0 h LYS 28 Ca 0.01 0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3dh0 h LYS 28 Cb 0.52 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.24 3dh0 h LYS 28 CO -0.12 -0.36 -0.47 0.28 -3.45 0.00 0.00 179.45 175.33 3dh0 h VAL 29 N -0.56 0.08 -0.90 2.00 2.07 -1.08 0.51 116.25 118.37 3dh0 h VAL 29 Ca -0.01 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.70 3dh0 h VAL 29 Cb 0.54 0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 3dh0 h VAL 29 CO -0.17 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 177.94 3dh0 h LEU 30 N -0.87 0.48 -0.07 2.57 3.38 -1.14 0.11 115.31 119.78 3dh0 h LEU 30 Ca -0.03 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3dh0 h LEU 30 Cb 0.79 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 3dh0 h LEU 30 CO -0.12 0.20 -0.07 0.50 0.09 0.00 0.00 178.44 179.04 3dh0 h LYS 31 N 0.49 0.16 -0.21 1.13 3.11 -0.88 -1.91 116.57 118.46 3dh0 h LYS 31 Ca 0.47 -0.09 -0.02 0.00 -2.81 0.00 0.00 60.65 58.21 3dh0 h LYS 31 Cb 1.05 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.27 3dh0 h LYS 31 CO -0.20 0.61 0.04 1.49 -2.81 0.00 0.00 179.45 178.58 3dh0 h GLU 32 N -0.28 0.29 0.00 1.90 4.81 0.12 -2.82 114.58 118.61 3dh0 h GLU 32 Ca 0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3dh0 h GLU 32 Cb 0.58 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3dh0 h GLU 32 CO 0.02 0.29 -0.16 1.19 -0.73 0.00 0.00 179.01 179.62 3dh0 n PHE 33 N -4.41 0.19 0.00 0.92 3.72 0.16 -4.96 117.46 113.08 3dh0 n PHE 33 Ca 0.00 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3dh0 n PHE 33 Cb 0.15 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.16 3dh0 n PHE 33 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dh0 n GLY 34 N 1.46 1.42 3.76 1.37 0.00 -1.06 -4.97 105.19 107.16 3dh0 n GLY 34 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3dh0 n GLY 34 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dh0 n LEU 35 N 0.00 4.61 -3.75 0.99 7.94 -0.74 -4.98 117.00 121.07 3dh0 n LEU 35 Ca 0.00 1.22 -0.11 0.00 -1.11 0.00 0.00 56.01 56.01 3dh0 n LEU 35 Cb 0.00 -1.60 -0.07 0.00 0.53 0.00 0.00 43.42 42.28 3dh0 n LEU 35 CO 0.00 0.08 0.03 -0.54 -1.11 0.00 0.00 177.39 175.85 3dh0 s LYS 36 N -1.97 0.86 0.27 1.96 1.02 -1.26 -4.70 119.74 115.91 3dh0 s LYS 36 Ca 0.54 -0.60 -0.30 0.00 0.02 0.00 0.00 55.97 55.62 3dh0 s LYS 36 Cb -0.49 0.37 -0.13 0.00 -0.52 0.00 0.00 37.83 37.06 3dh0 s LYS 36 CO 0.63 -0.29 1.44 -1.91 -0.92 0.00 0.00 175.35 174.30 3dh0 n GLU 37 N 0.35 2.23 0.00 1.68 2.13 -1.11 -2.14 120.64 123.78 3dh0 n GLU 37 Ca -0.18 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.43 3dh0 n GLU 37 Cb 0.61 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.85 3dh0 n GLU 37 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dh0 n GLY 38 N 1.93 3.06 3.40 8.31 0.00 -0.47 -4.97 105.19 116.45 3dh0 n GLY 38 Ca 0.10 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 3dh0 n GLY 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dh0 n MET 39 N 0.00 0.21 -3.83 1.61 2.81 -0.91 -4.38 117.12 112.63 3dh0 n MET 39 Ca 0.00 0.11 -0.36 0.00 -1.81 0.00 0.00 57.70 55.63 3dh0 n MET 39 Cb 0.00 -1.66 -0.13 0.00 -0.71 0.00 0.00 33.22 30.72 3dh0 n MET 39 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3dh0 s THR 40 N -1.95 3.62 -0.04 2.03 2.01 -1.26 -3.28 115.64 116.77 3dh0 s THR 40 Ca 0.62 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.92 3dh0 s THR 40 Cb -0.35 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 3dh0 s THR 40 CO 0.61 0.17 -0.09 0.54 -0.69 0.00 0.00 174.62 175.17 3dh0 s VAL 41 N 1.46 3.52 -0.19 3.82 0.11 -0.79 0.48 120.40 128.81 3dh0 s VAL 41 Ca 0.03 -0.66 -0.03 0.00 -2.93 0.00 0.00 61.98 58.39 3dh0 s VAL 41 Cb -0.16 -2.46 -0.02 0.00 -1.53 0.00 0.00 36.38 32.21 3dh0 s VAL 41 CO -0.00 0.52 -0.05 -0.22 -3.33 0.00 0.00 175.10 172.02 3dh0 s LEU 42 N -1.02 2.98 -0.46 2.54 2.96 0.79 -0.55 118.68 125.93 3dh0 s LEU 42 Ca 0.14 -0.30 -0.13 0.00 -0.22 0.00 0.00 54.13 53.63 3dh0 s LEU 42 Cb -0.11 -1.73 0.08 0.00 0.50 0.00 0.00 46.19 44.93 3dh0 s LEU 42 CO 0.03 0.07 0.35 -0.62 -1.32 0.00 0.00 176.35 174.86 3dh0 s ASP 43 N 0.95 5.91 0.00 3.68 2.15 0.22 -1.01 116.67 128.57 3dh0 s ASP 43 Ca -0.00 -1.48 0.00 0.00 0.43 0.00 0.00 52.55 51.50 3dh0 s ASP 43 Cb -0.15 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 3dh0 s ASP 43 CO 0.01 -0.62 0.81 0.52 -0.17 0.00 0.00 175.17 175.71 3dh0 n VAL 44 N 5.07 0.00 -2.90 1.11 0.31 -1.02 -1.62 118.33 119.28 3dh0 n VAL 44 Ca -0.11 1.31 -0.44 0.00 -0.01 0.00 0.00 64.34 65.09 3dh0 n VAL 44 Cb 0.43 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 3dh0 n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dh0 n GLY 45 N -0.83 4.17 0.40 2.92 0.00 -1.26 -3.94 105.19 106.65 3dh0 n GLY 45 Ca 0.00 -2.26 0.20 0.00 0.00 0.00 0.00 46.02 43.95 3dh0 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dh0 h THR 46 N 4.02 0.68 0.00 2.61 1.03 -1.56 -3.46 112.91 116.23 3dh0 h THR 46 Ca 0.29 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 66.57 3dh0 h THR 46 Cb 0.77 0.32 0.00 0.00 -1.07 0.00 0.00 68.15 68.17 3dh0 h THR 46 CO 1.30 0.06 0.00 0.61 -0.01 0.00 0.00 175.52 177.48 3dh0 n GLY 47 N -1.55 3.66 0.28 2.99 0.00 -1.26 0.33 105.19 109.64 3dh0 n GLY 47 Ca 0.18 0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.53 3dh0 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dh0 n ALA 48 N 12.20 2.80 -0.93 4.61 0.00 -1.26 -4.49 120.51 133.44 3dh0 n ALA 48 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3dh0 n ALA 48 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3dh0 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dh0 n GLY 49 N 1.24 0.44 0.30 0.00 0.00 0.15 -4.14 105.19 103.19 3dh0 n GLY 49 Ca 0.16 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.40 3dh0 n GLY 49 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dh0 h PHE 50 N 0.00 -0.12 -0.06 1.61 3.57 -1.81 -0.53 116.94 119.59 3dh0 h PHE 50 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3dh0 h PHE 50 Cb 0.00 0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3dh0 h PHE 50 CO 0.00 -0.30 0.00 0.66 -2.23 0.00 0.00 178.31 176.44 3dh0 n TYR 51 N -5.41 0.07 -0.35 0.41 4.01 -1.26 -4.26 117.16 110.37 3dh0 n TYR 51 Ca 0.15 -0.04 -0.02 0.00 -0.16 0.00 0.00 57.90 57.84 3dh0 n TYR 51 Cb 0.53 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.67 3dh0 n TYR 51 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3dh0 h LEU 52 N 1.69 1.05 0.15 7.72 3.38 -1.46 -2.04 115.31 125.80 3dh0 h LEU 52 Ca 0.00 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3dh0 h LEU 52 Cb 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3dh0 h LEU 52 CO 0.00 0.74 -0.19 -0.65 0.09 0.00 0.00 178.44 178.43 3dh0 h PRO 53 N 1.23 -0.38 -0.18 1.13 0.11 -1.76 0.33 132.00 132.49 3dh0 h PRO 53 Ca 0.36 0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.54 3dh0 h PRO 53 Cb -0.07 0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.08 3dh0 h PRO 53 CO -0.10 -0.25 -0.10 1.88 -0.21 0.00 0.00 178.00 179.22 3dh0 h TYR 54 N -0.40 -0.24 -0.41 0.65 0.05 -1.80 0.24 116.97 115.06 3dh0 h TYR 54 Ca 0.01 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.84 3dh0 h TYR 54 Cb 0.39 0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.23 3dh0 h TYR 54 CO -0.17 -0.16 0.22 -0.07 -1.05 0.00 0.00 178.16 176.94 3dh0 h LEU 55 N -0.09 0.33 -0.45 3.88 3.38 -1.19 -1.66 115.31 119.52 3dh0 h LEU 55 Ca 0.10 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3dh0 h LEU 55 Cb 0.24 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3dh0 h LEU 55 CO -0.23 0.24 0.30 -1.28 0.09 0.00 0.00 178.44 177.55 3dh0 h SER 56 N 0.44 0.51 -0.60 -0.43 0.87 0.28 -2.46 113.55 112.16 3dh0 h SER 56 Ca 0.17 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 3dh0 h SER 56 Cb 0.06 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3dh0 h SER 56 CO -0.11 0.37 0.13 0.50 -0.53 0.00 0.00 176.83 177.19 3dh0 h LYS 57 N 0.60 0.97 -0.28 2.24 3.64 -0.25 -3.11 116.57 120.39 3dh0 h LYS 57 Ca 0.17 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 3dh0 h LYS 57 Cb -0.06 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 3dh0 h LYS 57 CO -0.04 0.90 -0.09 0.52 -2.27 0.00 0.00 179.45 178.48 3dh0 h MET 58 N 0.88 0.56 0.00 1.90 2.86 -1.18 -2.95 114.93 117.01 3dh0 h MET 58 Ca 0.19 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3dh0 h MET 58 Cb 0.38 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3dh0 h MET 58 CO 0.01 0.77 0.00 1.33 1.06 0.00 0.00 176.91 180.08 3dh0 n VAL 59 N -4.48 0.14 -1.13 -2.22 0.24 -0.94 -2.73 118.33 107.21 3dh0 n VAL 59 Ca -0.03 0.04 0.15 0.00 -2.04 0.00 0.00 64.34 62.45 3dh0 n VAL 59 Cb 0.33 -0.71 -0.05 0.00 -1.47 0.00 0.00 33.84 31.94 3dh0 n VAL 59 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dh0 n GLY 60 N 0.36 -2.20 0.00 7.63 0.00 -1.12 -1.37 105.19 108.50 3dh0 n GLY 60 Ca 0.13 -1.21 0.10 0.00 0.00 0.00 0.00 46.02 45.04 3dh0 n GLY 60 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3dh0 n GLU 61 N -3.76 0.02 -0.30 1.61 0.28 -1.26 -2.01 120.64 115.22 3dh0 n GLU 61 Ca -0.02 0.15 0.06 0.00 -0.16 0.00 0.00 57.16 57.20 3dh0 n GLU 61 Cb 0.52 -1.50 0.20 0.00 1.43 0.00 0.00 31.44 32.10 3dh0 n GLU 61 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3dh0 n LYS 62 N -1.49 2.35 -4.22 3.44 4.01 -1.25 -4.88 118.16 116.12 3dh0 n LYS 62 Ca 0.05 -1.64 -0.15 0.00 -0.51 0.00 0.00 58.31 56.06 3dh0 n LYS 62 Cb 0.23 -1.50 -0.09 0.00 -0.51 0.00 0.00 35.03 33.16 3dh0 n LYS 62 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3dh0 s GLY 63 N -0.85 1.76 0.09 0.72 0.00 -0.78 -4.19 107.32 104.07 3dh0 s GLY 63 Ca 0.30 -1.81 0.03 0.00 0.00 0.00 0.00 44.72 43.25 3dh0 s GLY 63 CO 0.17 -1.38 -0.10 1.25 0.00 0.00 0.00 173.10 173.04 3dh0 s LYS 64 N -3.82 0.80 -0.06 2.90 2.20 -1.21 -4.75 119.74 115.81 3dh0 s LYS 64 Ca 0.39 -1.11 0.04 0.00 -0.36 0.00 0.00 55.97 54.93 3dh0 s LYS 64 Cb 0.05 -0.49 -0.00 0.00 -1.51 0.00 0.00 37.83 35.88 3dh0 s LYS 64 CO 0.18 0.07 -0.19 0.08 -0.36 0.00 0.00 175.35 175.14 3dh0 s VAL 65 N -2.34 1.63 -0.26 4.02 1.01 0.06 -1.88 120.40 122.63 3dh0 s VAL 65 Ca 0.04 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 3dh0 s VAL 65 Cb -0.03 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.97 3dh0 s VAL 65 CO -0.00 0.46 -0.04 -0.31 0.00 0.00 0.00 175.10 175.21 3dh0 s TYR 66 N 0.15 3.11 -0.37 5.22 2.02 0.29 -0.45 117.35 127.31 3dh0 s TYR 66 Ca -0.08 -1.54 -0.11 0.00 -0.37 0.00 0.00 57.07 54.97 3dh0 s TYR 66 Cb -0.14 -2.09 0.02 0.00 -0.40 0.00 0.00 41.96 39.36 3dh0 s TYR 66 CO 0.04 -0.72 0.20 0.00 -1.57 0.00 0.00 175.55 173.50 3dh0 s ALA 67 N 1.33 3.28 0.39 3.71 0.00 -0.55 0.70 121.76 130.63 3dh0 s ALA 67 Ca -0.00 -1.69 0.08 0.00 0.00 0.00 0.00 51.96 50.34 3dh0 s ALA 67 Cb -0.17 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 3dh0 s ALA 67 CO -0.03 -1.35 0.28 0.96 0.00 0.00 0.00 175.76 175.63 3dh0 s ILE 68 N 1.56 2.80 -0.30 0.00 -4.36 -0.64 -0.49 121.20 119.78 3dh0 s ILE 68 Ca 0.02 -1.48 -0.26 0.00 -0.26 0.00 0.00 60.65 58.68 3dh0 s ILE 68 Cb -0.19 -3.03 0.19 0.00 1.25 0.00 0.00 42.46 40.68 3dh0 s ILE 68 CO 0.07 -0.06 1.43 -0.62 0.24 0.00 0.00 174.94 175.99 3dh0 s ASP 69 N -4.02 -0.06 0.00 4.36 -1.08 -1.06 -2.39 116.67 112.43 3dh0 s ASP 69 Ca 0.44 0.11 0.29 0.00 -0.52 0.00 0.00 52.55 52.86 3dh0 s ASP 69 Cb -0.02 0.11 1.25 0.00 -1.46 0.00 0.00 42.92 42.79 3dh0 s ASP 69 CO 0.26 -0.02 1.88 1.33 0.52 0.00 0.00 175.17 179.14 3dh0 n VAL 70 N 1.45 0.00 -4.04 1.11 0.24 -1.26 -1.81 118.33 114.03 3dh0 n VAL 70 Ca -0.09 -0.04 -0.35 0.00 -2.04 0.00 0.00 64.34 61.83 3dh0 n VAL 70 Cb 0.57 -0.20 -0.14 0.00 -1.47 0.00 0.00 33.84 32.60 3dh0 n VAL 70 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3dh0 s GLN 71 N -2.58 3.42 0.21 7.34 -0.21 -1.26 -4.90 119.66 121.68 3dh0 s GLN 71 Ca 0.26 -0.61 -0.14 0.00 0.02 0.00 0.00 55.36 54.89 3dh0 s GLN 71 Cb 0.20 -2.97 0.22 0.00 1.00 0.00 0.00 33.01 31.46 3dh0 s GLN 71 CO 0.49 -0.11 1.63 1.49 -2.12 0.00 0.00 175.29 176.67 3dh0 h GLU 72 N 7.83 -0.00 -0.22 2.91 4.81 -1.97 -1.19 114.58 126.74 3dh0 h GLU 72 Ca -0.39 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.89 3dh0 h GLU 72 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3dh0 h GLU 72 CO 0.60 -0.00 0.15 1.05 -0.73 0.00 0.00 179.01 180.08 3dh0 h GLU 73 N -0.00 0.06 -0.14 1.92 9.09 -1.98 0.21 114.58 123.74 3dh0 h GLU 73 Ca 0.29 -0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.61 3dh0 h GLU 73 Cb 0.44 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 3dh0 h GLU 73 CO -0.63 0.04 -0.25 0.52 0.05 0.00 0.00 179.01 178.75 3dh0 h MET 74 N 0.07 0.42 0.08 1.06 2.86 -1.50 -0.08 114.93 117.83 3dh0 h MET 74 Ca 0.10 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3dh0 h MET 74 Cb 0.32 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3dh0 h MET 74 CO -0.01 0.86 -0.08 0.28 1.06 0.00 0.00 176.91 179.02 3dh0 h VAL 75 N 0.03 0.81 -0.68 -2.22 2.07 -0.55 0.87 116.25 116.58 3dh0 h VAL 75 Ca 0.01 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 3dh0 h VAL 75 Cb 0.83 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3dh0 h VAL 75 CO 0.06 0.00 0.20 0.78 0.02 0.00 0.00 177.57 178.63 3dh0 h ASN 76 N -0.18 0.99 0.87 0.57 2.35 -0.69 -0.24 115.58 119.24 3dh0 h ASN 76 Ca 0.01 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.50 3dh0 h ASN 76 Cb 0.18 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.30 3dh0 h ASN 76 CO -0.03 0.94 -0.42 0.22 -1.65 0.00 0.00 177.43 176.50 3dh0 h TYR 77 N 0.99 -1.08 -0.69 1.19 3.20 -0.79 -1.51 116.97 118.28 3dh0 h TYR 77 Ca 0.22 -0.03 0.16 0.00 3.14 0.00 0.00 58.73 62.22 3dh0 h TYR 77 Cb 0.31 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 3dh0 h TYR 77 CO 0.02 -0.66 0.47 0.00 -1.64 0.00 0.00 178.16 176.35 3dh0 h ALA 78 N -1.20 2.29 0.19 1.82 0.00 -0.79 0.26 119.26 121.82 3dh0 h ALA 78 Ca -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3dh0 h ALA 78 Cb 0.90 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3dh0 h ALA 78 CO 0.20 -0.48 -0.09 2.35 0.00 0.00 0.00 179.25 181.23 3dh0 h TRP 79 N 0.25 -0.23 -0.06 0.00 -0.00 -0.79 0.24 115.95 115.36 3dh0 h TRP 79 Ca 0.34 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 59.21 3dh0 h TRP 79 Cb 0.96 0.08 -0.00 0.00 -0.00 0.00 0.00 29.16 30.19 3dh0 h TRP 79 CO -0.00 0.15 -0.01 1.49 -0.00 0.00 0.00 178.44 180.06 3dh0 h GLU 80 N -0.68 0.08 0.69 2.65 4.22 -0.64 0.13 114.58 121.03 3dh0 h GLU 80 Ca -0.03 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.37 3dh0 h GLU 80 Cb 0.48 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.72 3dh0 h GLU 80 CO 0.04 0.10 -0.33 -0.22 -2.18 0.00 0.00 179.01 176.42 3dh0 h LYS 81 N 0.08 -0.90 -0.86 1.92 3.64 -0.19 0.63 116.57 120.89 3dh0 h LYS 81 Ca 0.02 0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.57 3dh0 h LYS 81 Cb 0.08 0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 32.02 3dh0 h LYS 81 CO 0.00 -0.58 0.50 -0.39 -2.27 0.00 0.00 179.45 176.71 3dh0 h VAL 82 N -1.21 0.89 0.55 2.00 -1.51 0.02 -2.01 116.25 114.97 3dh0 h VAL 82 Ca -0.10 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 65.07 3dh0 h VAL 82 Cb 0.73 0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 29.89 3dh0 h VAL 82 CO 0.16 0.15 -0.39 0.78 -1.23 0.00 0.00 177.57 177.03 3dh0 h ASN 83 N 0.81 -1.02 0.00 4.19 -0.26 -0.62 -2.04 115.58 116.64 3dh0 h ASN 83 Ca 0.43 0.07 0.00 0.00 -0.56 0.00 0.00 56.30 56.23 3dh0 h ASN 83 Cb 0.43 0.31 0.00 0.00 -1.06 0.00 0.00 38.32 38.00 3dh0 h ASN 83 CO -0.27 -0.57 0.19 1.17 -1.06 0.00 0.00 177.43 176.90 3dh0 n LYS 84 N -4.83 0.00 0.00 0.81 4.81 0.22 0.00 118.16 119.17 3dh0 n LYS 84 Ca -0.11 0.20 0.03 0.00 -0.87 0.00 0.00 58.31 57.55 3dh0 n LYS 84 Cb 0.38 -1.69 -0.00 0.00 0.02 0.00 0.00 35.03 33.74 3dh0 n LYS 84 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3dh0 n LEU 85 N -1.14 0.82 -0.27 3.14 4.77 -0.81 -5.00 117.00 118.51 3dh0 n LEU 85 Ca 0.00 -0.73 -0.03 0.00 -0.03 0.00 0.00 56.01 55.21 3dh0 n LEU 85 Cb 0.19 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 3dh0 n LEU 85 CO 0.00 0.18 -0.03 0.61 -1.33 0.00 0.00 177.39 176.81 3dh0 n GLY 86 N 0.75 0.65 3.64 -0.72 0.00 0.10 -4.97 105.19 104.64 3dh0 n GLY 86 Ca 0.02 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 3dh0 n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dh0 s LEU 87 N -0.79 3.98 -0.17 0.99 1.43 -0.99 -4.90 118.68 118.23 3dh0 s LEU 87 Ca 0.00 1.74 -0.18 0.00 -1.03 0.00 0.00 54.13 54.66 3dh0 s LEU 87 Cb 0.00 -3.53 -0.23 0.00 0.03 0.00 0.00 46.19 42.46 3dh0 s LEU 87 CO 0.00 -1.19 0.35 0.11 0.23 0.00 0.00 176.35 175.85 3dh0 h LYS 88 N 10.46 0.10 -0.11 1.70 1.79 -1.93 -3.38 116.57 125.21 3dh0 h LYS 88 Ca -0.34 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 3dh0 h LYS 88 Cb 1.16 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 3dh0 h LYS 88 CO 0.99 1.08 0.00 0.27 -1.08 0.00 0.00 179.45 180.71 3dh0 n ASN 89 N -4.17 0.11 -4.57 0.86 2.04 -1.26 -4.78 115.26 103.50 3dh0 n ASN 89 Ca -0.29 -1.21 -0.34 0.00 -0.44 0.00 0.00 54.58 52.30 3dh0 n ASN 89 Cb 0.78 -0.05 -0.11 0.00 -2.53 0.00 0.00 39.78 37.87 3dh0 n ASN 89 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 3dh0 s VAL 90 N -1.82 4.14 -0.24 3.53 1.01 -1.26 -0.76 120.40 125.00 3dh0 s VAL 90 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3dh0 s VAL 90 Cb 0.00 -2.80 0.05 0.00 0.00 0.00 0.00 36.38 33.63 3dh0 s VAL 90 CO 0.00 0.52 -0.13 -0.70 0.00 0.00 0.00 175.10 174.78 3dh0 s GLU 91 N 0.03 2.43 -0.25 2.72 2.56 0.40 -4.97 118.70 121.62 3dh0 s GLU 91 Ca 0.02 -1.20 -0.15 0.00 0.00 0.00 0.00 54.97 53.63 3dh0 s GLU 91 Cb -0.13 -2.80 -0.04 0.00 2.00 0.00 0.00 34.13 33.16 3dh0 s GLU 91 CO 0.02 -0.47 0.39 0.08 -0.56 0.00 0.00 175.26 174.72 3dh0 s VAL 92 N 1.16 5.18 0.20 3.70 1.01 -1.26 -1.48 120.40 128.90 3dh0 s VAL 92 Ca -0.05 0.63 0.10 0.00 0.00 0.00 0.00 61.98 62.65 3dh0 s VAL 92 Cb -0.18 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3dh0 s VAL 92 CO -0.07 0.18 -0.19 -0.76 0.00 0.00 0.00 175.10 174.26 3dh0 s LEU 93 N 1.85 2.50 -0.41 3.92 1.43 0.36 -4.97 118.68 123.35 3dh0 s LEU 93 Ca 0.16 -0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 3dh0 s LEU 93 Cb -0.15 -0.92 0.05 0.00 0.03 0.00 0.00 46.19 45.20 3dh0 s LEU 93 CO 0.09 -0.02 0.26 -0.75 0.23 0.00 0.00 176.35 176.17 3dh0 s LYS 94 N -3.10 2.78 0.48 1.70 2.47 -1.26 -2.56 119.74 120.25 3dh0 s LYS 94 Ca 0.21 -1.26 0.07 0.00 -1.56 0.00 0.00 55.97 53.43 3dh0 s LYS 94 Cb -0.05 -3.83 0.07 0.00 -1.46 0.00 0.00 37.83 32.56 3dh0 s LYS 94 CO 0.09 -0.85 0.58 -1.13 0.16 0.00 0.00 175.35 174.20 3dh0 n SER 95 N 5.01 2.00 -4.47 1.43 3.41 -0.75 -4.87 113.62 115.39 3dh0 n SER 95 Ca -0.11 -2.39 -0.26 0.00 -0.26 0.00 0.00 58.87 55.84 3dh0 n SER 95 Cb 0.44 -0.26 -0.11 0.00 -0.26 0.00 0.00 64.21 64.03 3dh0 n SER 95 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dh0 s GLU 96 N -4.13 1.69 0.04 4.33 8.01 -0.82 -4.11 118.70 123.70 3dh0 s GLU 96 Ca 0.44 -1.53 -0.07 0.00 0.01 0.00 0.00 54.97 53.82 3dh0 s GLU 96 Cb -0.03 -1.90 -0.02 0.00 -4.31 0.00 0.00 34.13 27.87 3dh0 s GLU 96 CO 0.28 0.39 0.72 -1.91 0.01 0.00 0.00 175.26 174.75 3dh0 n GLU 97 N -0.03 -0.10 -1.03 1.61 4.07 -1.26 -1.11 120.64 122.79 3dh0 n GLU 97 Ca -0.10 0.71 -0.12 0.00 -0.06 0.00 0.00 57.16 57.59 3dh0 n GLU 97 Cb 0.57 -1.06 0.17 0.00 -0.06 0.00 0.00 31.44 31.06 3dh0 n GLU 97 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3dh0 n ASN 98 N -3.44 3.25 -3.65 4.31 5.03 -1.26 -4.85 115.26 114.65 3dh0 n ASN 98 Ca 0.00 -3.76 -0.23 0.00 0.87 0.00 0.00 54.58 51.46 3dh0 n ASN 98 Cb 0.06 -0.68 -0.18 0.00 -1.02 0.00 0.00 39.78 37.97 3dh0 n ASN 98 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3dh0 s LYS 99 N -3.34 0.03 -0.23 3.52 1.02 -0.27 -4.79 119.74 115.69 3dh0 s LYS 99 Ca 0.49 0.15 -0.12 0.00 0.02 0.00 0.00 55.97 56.50 3dh0 s LYS 99 Cb 0.43 -1.14 -0.05 0.00 -0.52 0.00 0.00 37.83 36.55 3dh0 s LYS 99 CO 0.02 -0.48 0.24 0.42 -0.92 0.00 0.00 175.35 174.63 3dh0 s ILE 100 N 2.14 5.30 -0.91 2.17 1.01 -1.26 -1.94 121.20 127.71 3dh0 s ILE 100 Ca 0.04 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.04 3dh0 s ILE 100 Cb -0.14 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.75 3dh0 s ILE 100 CO -0.06 0.31 0.18 -0.81 0.00 0.00 0.00 174.94 174.56 3dh0 n PRO 101 N 4.40 0.33 -4.04 2.79 -0.04 -1.26 -4.80 135.00 132.38 3dh0 n PRO 101 Ca -0.13 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.11 3dh0 n PRO 101 Cb 0.52 -1.18 -0.05 0.00 -0.04 0.00 0.00 33.50 32.75 3dh0 n PRO 101 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dh0 s LEU 102 N 0.00 3.54 0.80 1.53 1.02 -1.26 -5.13 118.68 119.18 3dh0 s LEU 102 Ca 0.00 -0.50 -0.10 0.00 0.02 0.00 0.00 54.13 53.55 3dh0 s LEU 102 Cb 0.00 -2.08 0.11 0.00 0.02 0.00 0.00 46.19 44.24 3dh0 s LEU 102 CO 0.00 -0.19 1.14 -2.16 0.02 0.00 0.00 176.35 175.16 3dh0 s PRO 103 N -3.87 1.65 0.68 1.29 0.04 -1.26 -4.89 135.00 128.64 3dh0 s PRO 103 Ca 0.36 -0.31 -0.16 0.00 0.04 0.00 0.00 61.00 60.93 3dh0 s PRO 103 Cb -0.06 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.45 3dh0 s PRO 103 CO 0.24 -1.68 1.18 -0.51 0.04 0.00 0.00 177.00 176.28 3dh0 s ASP 104 N -4.66 4.63 -1.58 6.66 -0.00 -1.26 -3.79 116.67 116.67 3dh0 s ASP 104 Ca 0.65 2.27 -0.15 0.00 -0.00 0.00 0.00 52.55 55.32 3dh0 s ASP 104 Cb -0.08 -2.58 0.10 0.00 -0.00 0.00 0.00 42.92 40.36 3dh0 s ASP 104 CO 0.48 -1.96 0.94 0.59 -0.00 0.00 0.00 175.17 175.22 3dh0 n ASN 105 N -2.41 -4.46 -0.01 0.27 3.02 0.14 -4.89 115.26 106.93 3dh0 n ASN 105 Ca 0.13 -0.84 0.08 0.00 -0.03 0.00 0.00 54.58 53.92 3dh0 n ASN 105 Cb 0.51 -3.61 -0.11 0.00 -0.61 0.00 0.00 39.78 35.95 3dh0 n ASN 105 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3dh0 n THR 106 N -4.62 0.00 -4.24 3.41 -2.24 0.20 -4.47 114.28 102.31 3dh0 n THR 106 Ca 0.05 -0.29 -0.31 0.00 -2.27 0.00 0.00 64.05 61.23 3dh0 n THR 106 Cb 0.52 0.40 -0.09 0.00 -2.10 0.00 0.00 70.33 69.05 3dh0 n THR 106 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3dh0 s VAL 107 N -2.89 3.77 -0.21 2.28 -7.23 0.58 -4.86 120.40 111.84 3dh0 s VAL 107 Ca -0.02 -0.98 0.01 0.00 -1.81 0.00 0.00 61.98 59.18 3dh0 s VAL 107 Cb 0.10 -2.74 -0.13 0.00 0.56 0.00 0.00 36.38 34.17 3dh0 s VAL 107 CO 0.64 0.20 -0.19 0.47 -0.31 0.00 0.00 175.10 175.92 3dh0 n ASP 108 N 0.90 2.37 -3.94 4.85 8.00 0.18 -1.74 116.55 127.17 3dh0 n ASP 108 Ca -0.13 -0.10 -0.25 0.00 0.71 0.00 0.00 54.79 55.01 3dh0 n ASP 108 Cb 0.52 -0.33 -0.17 0.00 -0.02 0.00 0.00 41.12 41.12 3dh0 n ASP 108 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3dh0 s PHE 109 N -2.41 1.40 -0.17 1.24 5.36 -0.51 -0.70 117.98 122.18 3dh0 s PHE 109 Ca -0.28 -0.62 -0.06 0.00 -0.96 0.00 0.00 56.93 55.00 3dh0 s PHE 109 Cb 0.07 -1.13 -0.04 0.00 -0.34 0.00 0.00 43.02 41.59 3dh0 s PHE 109 CO 0.48 -0.41 0.04 0.42 -1.46 0.00 0.00 175.22 174.29 3dh0 s ILE 110 N 1.33 4.63 -0.27 3.12 1.01 0.30 -0.15 121.20 131.17 3dh0 s ILE 110 Ca -0.02 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.56 3dh0 s ILE 110 Cb -0.14 -3.07 0.07 0.00 0.01 0.00 0.00 42.46 39.33 3dh0 s ILE 110 CO -0.04 0.48 -0.07 0.12 0.00 0.00 0.00 174.94 175.43 3dh0 s PHE 111 N 0.24 3.23 -0.60 3.97 5.36 -0.18 -1.16 117.98 128.84 3dh0 s PHE 111 Ca 0.03 -2.37 -0.06 0.00 -0.96 0.00 0.00 56.93 53.57 3dh0 s PHE 111 Cb -0.13 -2.06 0.16 0.00 -0.34 0.00 0.00 43.02 40.65 3dh0 s PHE 111 CO 0.01 -0.88 0.44 -1.64 -1.46 0.00 0.00 175.22 171.69 3dh0 s MET 112 N 1.11 2.63 -0.31 10.12 -1.94 -0.49 -2.44 119.30 127.99 3dh0 s MET 112 Ca -0.05 -2.31 -0.12 0.00 -1.71 0.00 0.00 55.69 51.51 3dh0 s MET 112 Cb -0.20 -3.85 -0.03 0.00 2.01 0.00 0.00 34.83 32.76 3dh0 s MET 112 CO -0.06 -1.18 0.21 0.00 -0.01 0.00 0.00 175.02 173.98 3dh0 s ALA 113 N 0.35 3.50 -1.03 3.03 0.00 -1.26 -0.40 121.76 125.94 3dh0 s ALA 113 Ca 0.14 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 3dh0 s ALA 113 Cb -0.20 -2.55 0.01 0.00 0.00 0.00 0.00 23.12 20.38 3dh0 s ALA 113 CO -0.04 -0.75 0.05 1.19 0.00 0.00 0.00 175.76 176.21 3dh0 n PHE 114 N 5.07 -1.48 -0.00 0.00 3.01 0.34 -4.78 117.46 119.63 3dh0 n PHE 114 Ca -0.13 0.04 0.01 0.00 1.01 0.00 0.00 57.45 58.38 3dh0 n PHE 114 Cb 0.51 -2.72 -0.01 0.00 -0.01 0.00 0.00 39.48 37.25 3dh0 n PHE 114 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 3dh0 n THR 115 N -3.41 0.00 -0.30 4.37 5.66 -1.26 -4.73 114.28 114.61 3dh0 n THR 115 Ca -0.13 -0.04 -0.00 0.00 -3.05 0.00 0.00 64.05 60.83 3dh0 n THR 115 Cb 0.60 0.41 0.18 0.00 -1.55 0.00 0.00 70.33 69.98 3dh0 n THR 115 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 3dh0 h PHE 116 N 0.00 1.11 0.00 1.09 3.57 -1.87 -1.08 116.94 119.76 3dh0 h PHE 116 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3dh0 h PHE 116 Cb 0.11 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.47 3dh0 h PHE 116 CO 0.00 0.68 0.00 -2.39 -2.23 0.00 0.00 178.31 174.37 3dh0 n HIS 117 N -4.41 0.00 0.26 0.41 1.44 -1.26 -2.51 115.22 109.14 3dh0 n HIS 117 Ca 0.11 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.86 3dh0 n HIS 117 Cb 0.04 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.09 3dh0 n HIS 117 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3dh0 n GLU 118 N -0.56 2.27 -1.95 -1.40 1.02 -0.41 -4.74 120.64 114.87 3dh0 n GLU 118 Ca 0.02 -0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.70 3dh0 n GLU 118 Cb 0.01 -1.08 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 3dh0 n GLU 118 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3dh0 s LEU 119 N -3.00 4.36 0.04 -4.62 1.43 -1.04 -4.78 118.68 111.07 3dh0 s LEU 119 Ca 0.00 2.46 -0.25 0.00 -1.03 0.00 0.00 54.13 55.32 3dh0 s LEU 119 Cb 0.07 -3.56 -0.17 0.00 0.03 0.00 0.00 46.19 42.55 3dh0 s LEU 119 CO 0.41 -0.87 1.53 0.28 0.23 0.00 0.00 176.35 177.92 3dh0 h SER 120 N 8.26 -0.06 -3.10 2.29 0.02 -1.94 -3.37 113.55 115.66 3dh0 h SER 120 Ca -0.42 -0.18 -0.62 0.00 -0.84 0.00 0.00 61.79 59.73 3dh0 h SER 120 Cb 1.20 0.01 -0.41 0.00 0.14 0.00 0.00 62.40 63.34 3dh0 h SER 120 CO 0.93 0.15 -0.65 -1.61 -1.14 0.00 0.00 176.83 174.50 3dh0 s GLU 121 N -5.40 2.10 0.17 3.45 2.02 -1.26 -5.00 118.70 114.77 3dh0 s GLU 121 Ca -0.14 -3.01 -0.12 0.00 0.02 0.00 0.00 54.97 51.72 3dh0 s GLU 121 Cb 0.04 -3.02 0.18 0.00 0.10 0.00 0.00 34.13 31.44 3dh0 s GLU 121 CO 0.65 -1.28 1.09 -2.30 0.02 0.00 0.00 175.26 173.45 3dh0 n PRO 122 N 2.29 -0.16 0.14 0.39 -0.02 -1.26 -0.26 135.00 136.13 3dh0 n PRO 122 Ca 0.20 1.09 0.08 0.00 -2.02 0.00 0.00 63.50 62.85 3dh0 n PRO 122 Cb 0.37 -1.61 0.05 0.00 -0.02 0.00 0.00 33.50 32.28 3dh0 n PRO 122 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 3dh0 h LEU 123 N 0.00 0.00 -0.12 2.45 -0.00 -1.94 0.43 115.31 116.13 3dh0 h LEU 123 Ca 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.11 3dh0 h LEU 123 Cb 0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.09 3dh0 h LEU 123 CO -0.70 0.17 -0.02 0.50 -0.00 0.00 0.00 178.44 178.39 3dh0 h LYS 124 N 0.00 0.22 -0.63 0.17 3.64 -1.30 -1.78 116.57 116.89 3dh0 h LYS 124 Ca -0.02 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 3dh0 h LYS 124 Cb 1.15 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 3dh0 h LYS 124 CO 0.02 0.50 0.19 0.35 -2.27 0.00 0.00 179.45 178.24 3dh0 h PHE 125 N -0.08 0.99 0.00 1.91 3.04 -0.58 -2.59 116.94 119.63 3dh0 h PHE 125 Ca 0.03 -0.09 -0.03 0.00 3.98 0.00 0.00 57.97 61.86 3dh0 h PHE 125 Cb 0.42 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 3dh0 h PHE 125 CO 0.05 0.80 -0.16 -0.07 -2.02 0.00 0.00 178.31 176.90 3dh0 h LEU 126 N 0.93 0.00 -0.16 0.59 4.07 -0.66 -1.96 115.31 118.12 3dh0 h LEU 126 Ca 0.21 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.10 3dh0 h LEU 126 Cb 0.27 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 3dh0 h LEU 126 CO -0.01 0.16 -0.18 -0.33 -1.08 0.00 0.00 178.44 177.01 3dh0 h GLU 127 N 0.00 0.39 -0.87 1.13 4.39 -0.92 -2.65 114.58 116.05 3dh0 h GLU 127 Ca -0.00 -0.22 0.03 0.00 0.34 0.00 0.00 59.36 59.52 3dh0 h GLU 127 Cb 0.43 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 3dh0 h GLU 127 CO 0.02 0.78 0.58 1.49 -1.16 0.00 0.00 179.01 180.72 3dh0 h GLU 128 N 0.03 1.07 -0.24 2.33 4.57 -1.43 -1.45 114.58 119.45 3dh0 h GLU 128 Ca 0.02 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3dh0 h GLU 128 Cb 0.72 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3dh0 h GLU 128 CO 0.04 0.71 0.01 -0.07 -1.18 0.00 0.00 179.01 178.51 3dh0 h LEU 129 N 1.10 0.33 -0.52 1.64 3.38 -1.19 -2.23 115.31 117.81 3dh0 h LEU 129 Ca 0.35 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 58.11 3dh0 h LEU 129 Cb 0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3dh0 h LEU 129 CO -0.10 0.38 -0.73 0.11 0.09 0.00 0.00 178.44 178.19 3dh0 h LYS 130 N 0.35 0.08 0.17 1.13 1.57 -0.92 -2.74 116.57 116.20 3dh0 h LYS 130 Ca 0.08 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3dh0 h LYS 130 Cb 0.23 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3dh0 h LYS 130 CO 0.00 0.77 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.49 3dh0 h ARG 131 N 0.05 -0.21 0.00 3.15 2.43 -0.89 -2.83 114.38 116.07 3dh0 h ARG 131 Ca -0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3dh0 h ARG 131 Cb 1.29 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 3dh0 h ARG 131 CO 0.10 0.05 0.00 1.33 -1.51 0.00 0.00 179.97 179.94 3dh0 n VAL 132 N -5.08 0.27 -3.41 0.20 0.24 -1.06 -0.68 118.33 108.82 3dh0 n VAL 132 Ca -0.09 0.07 -0.34 0.00 -2.04 0.00 0.00 64.34 61.94 3dh0 n VAL 132 Cb 0.20 -0.72 -0.06 0.00 -1.47 0.00 0.00 33.84 31.79 3dh0 n VAL 132 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dh0 s ALA 133 N -2.45 3.60 0.80 2.33 0.00 -1.04 -0.31 121.76 124.70 3dh0 s ALA 133 Ca 0.23 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 3dh0 s ALA 133 Cb 0.14 -2.46 0.07 0.00 0.00 0.00 0.00 23.12 20.88 3dh0 s ALA 133 CO 0.31 0.49 1.09 0.15 0.00 0.00 0.00 175.76 177.79 3dh0 s LYS 134 N -2.19 2.02 0.56 0.00 1.02 -0.71 -3.42 119.74 117.02 3dh0 s LYS 134 Ca 0.40 0.83 0.47 0.00 0.02 0.00 0.00 55.97 57.69 3dh0 s LYS 134 Cb -0.14 -1.90 1.65 0.00 -0.52 0.00 0.00 37.83 36.93 3dh0 s LYS 134 CO 0.20 -1.71 1.57 -1.00 -0.92 0.00 0.00 175.35 173.48 3dh0 h PRO 135 N -1.16 0.00 0.00 -1.68 0.13 -1.91 -3.34 132.00 124.03 3dh0 h PRO 135 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3dh0 h PRO 135 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3dh0 h PRO 135 CO 0.56 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.52 3dh0 n PHE 136 N -3.89 0.00 -0.35 1.56 3.01 -1.26 -3.81 117.46 112.73 3dh0 n PHE 136 Ca 0.41 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.87 3dh0 n PHE 136 Cb 1.91 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 41.38 3dh0 n PHE 136 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dh0 n ALA 137 N -3.00 -1.60 -2.88 4.37 0.00 -1.26 -3.42 120.51 112.72 3dh0 n ALA 137 Ca 0.00 0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.22 3dh0 n ALA 137 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 3dh0 n ALA 137 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3dh0 s TYR 138 N -2.31 3.53 -0.22 0.00 1.51 0.12 -0.49 117.35 119.48 3dh0 s TYR 138 Ca 0.00 0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 56.39 3dh0 s TYR 138 Cb 0.00 -1.82 0.06 0.00 -0.11 0.00 0.00 41.96 40.09 3dh0 s TYR 138 CO 0.00 0.59 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.84 3dh0 s LEU 139 N -2.32 2.10 -0.34 -1.29 2.96 0.10 -0.54 118.68 119.36 3dh0 s LEU 139 Ca 0.33 -1.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.13 3dh0 s LEU 139 Cb -0.13 -0.98 0.06 0.00 0.50 0.00 0.00 46.19 45.65 3dh0 s LEU 139 CO 0.24 -0.26 0.09 0.00 -1.32 0.00 0.00 176.35 175.09 3dh0 s ALA 140 N 1.55 2.97 -0.17 5.97 0.00 -0.31 -1.00 121.76 130.78 3dh0 s ALA 140 Ca -0.04 -1.98 -0.07 0.00 0.00 0.00 0.00 51.96 49.87 3dh0 s ALA 140 Cb -0.18 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 3dh0 s ALA 140 CO -0.07 -1.44 0.07 0.42 0.00 0.00 0.00 175.76 174.73 3dh0 s ILE 141 N 1.26 4.84 -0.18 0.00 1.01 -0.68 -1.39 121.20 126.06 3dh0 s ILE 141 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.62 3dh0 s ILE 141 Cb -0.21 -3.16 0.05 0.00 0.01 0.00 0.00 42.46 39.15 3dh0 s ILE 141 CO -0.01 0.49 -0.04 -0.63 0.00 0.00 0.00 174.94 174.75 3dh0 s ILE 142 N 0.11 1.13 0.34 2.92 1.01 0.46 -0.72 121.20 126.45 3dh0 s ILE 142 Ca 0.05 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 60.04 3dh0 s ILE 142 Cb -0.12 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 3dh0 s ILE 142 CO 0.01 0.05 0.26 -0.62 0.00 0.00 0.00 174.94 174.64 3dh0 s ASP 143 N 1.61 1.84 0.37 3.58 -1.08 -0.98 0.13 116.67 122.14 3dh0 s ASP 143 Ca -0.01 -1.76 -0.25 0.00 -0.52 0.00 0.00 52.55 50.01 3dh0 s ASP 143 Cb -0.16 0.56 -0.09 0.00 -1.46 0.00 0.00 42.92 41.77 3dh0 s ASP 143 CO -0.07 -1.06 1.04 0.26 0.52 0.00 0.00 175.17 175.86 3dh0 s TRP 144 N -3.41 3.39 0.28 -5.34 0.52 -1.26 -2.05 118.94 111.07 3dh0 s TRP 144 Ca 0.39 1.68 -0.29 0.00 0.02 0.00 0.00 56.10 57.90 3dh0 s TRP 144 Cb 0.02 -3.12 -0.09 0.00 -1.15 0.00 0.00 33.47 29.13 3dh0 s TRP 144 CO 0.26 -0.48 1.02 0.15 0.02 0.00 0.00 176.95 177.92 3dh0 s LYS 145 N -2.25 4.66 -1.27 4.98 1.02 -0.95 -4.80 119.74 121.15 3dh0 s LYS 145 Ca 0.54 1.60 -0.19 0.00 0.02 0.00 0.00 55.97 57.95 3dh0 s LYS 145 Cb -0.23 -3.11 0.04 0.00 -0.52 0.00 0.00 37.83 34.01 3dh0 s LYS 145 CO 0.29 0.30 1.76 0.21 -0.92 0.00 0.00 175.35 176.99 3dh0 s LYS 146 N -1.53 3.69 -0.12 1.68 2.20 -1.26 -4.82 119.74 119.59 3dh0 s LYS 146 Ca 0.45 -1.80 -0.33 0.00 -0.36 0.00 0.00 55.97 53.93 3dh0 s LYS 146 Cb -0.27 -5.48 0.13 0.00 -1.51 0.00 0.00 37.83 30.70 3dh0 s LYS 146 CO 0.34 -2.58 1.16 -1.83 -0.36 0.00 0.00 175.35 172.09 3dh0 s GLU 147 N 4.68 0.43 0.05 4.03 -1.05 -1.26 -5.01 118.70 120.58 3dh0 s GLU 147 Ca 0.56 -0.18 -0.30 0.00 -0.15 0.00 0.00 54.97 54.90 3dh0 s GLU 147 Cb 0.03 0.19 -0.08 0.00 -0.44 0.00 0.00 34.13 33.82 3dh0 s GLU 147 CO 0.08 -0.19 1.69 -1.21 0.95 0.00 0.00 175.26 176.58 3dh0 s GLU 148 N -2.56 4.19 0.07 -4.83 8.01 -1.26 -4.67 118.70 117.64 3dh0 s GLU 148 Ca 0.10 2.35 0.02 0.00 0.01 0.00 0.00 54.97 57.45 3dh0 s GLU 148 Cb -0.00 -3.70 -0.03 0.00 -4.31 0.00 0.00 34.13 26.08 3dh0 s GLU 148 CO -0.05 -0.78 -0.07 1.03 0.01 0.00 0.00 175.26 175.40 3dh0 s ARG 149 N 3.00 0.69 -0.88 1.61 0.52 -1.26 -5.06 118.95 117.58 3dh0 s ARG 149 Ca 0.76 -1.07 -0.01 0.00 -0.52 0.00 0.00 55.73 54.88 3dh0 s ARG 149 Cb -0.40 -0.25 0.34 0.00 0.52 0.00 0.00 34.95 35.17 3dh0 s ARG 149 CO 0.33 0.01 1.88 -0.40 0.02 0.00 0.00 175.30 177.15 3dh0 n ASP 150 N 0.65 7.24 0.02 0.23 5.75 -1.26 -4.51 116.55 124.68 3dh0 n ASP 150 Ca -0.17 -3.78 0.00 0.00 -0.01 0.00 0.00 54.79 50.83 3dh0 n ASP 150 Cb 0.58 -1.05 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 3dh0 n ASP 150 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3dh0 n LYS 151 N -0.37 0.00 -0.81 0.11 3.00 -1.26 -5.17 118.16 113.66 3dh0 n LYS 151 Ca 0.50 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.70 3dh0 n LYS 151 Cb 0.27 0.00 0.08 0.00 0.00 0.00 0.00 35.03 35.38 3dh0 n LYS 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3dh0 n GLY 152 N -1.27 -1.14 3.86 3.14 0.00 -1.26 -5.08 105.19 103.44 3dh0 n GLY 152 Ca 0.00 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 3dh0 n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dh0 s PRO 153 N -4.12 0.36 0.60 1.61 0.04 -1.26 -4.93 135.00 127.30 3dh0 s PRO 153 Ca 0.30 -0.30 -0.19 0.00 0.04 0.00 0.00 61.00 60.85 3dh0 s PRO 153 Cb -0.01 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 3dh0 s PRO 153 CO 0.21 -2.62 1.20 -2.30 0.04 0.00 0.00 177.00 173.52 3dh0 n PRO 154 N -3.94 1.21 0.25 0.56 -0.02 -1.26 -4.89 135.00 126.91 3dh0 n PRO 154 Ca 0.14 0.46 0.10 0.00 -2.02 0.00 0.00 63.50 62.18 3dh0 n PRO 154 Cb 0.59 -2.41 0.64 0.00 -0.02 0.00 0.00 33.50 32.31 3dh0 n PRO 154 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3dh0 h PRO 155 N 0.79 0.00 0.00 0.52 0.11 -1.90 -2.66 132.00 128.86 3dh0 h PRO 155 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3dh0 h PRO 155 Cb 1.34 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 3dh0 h PRO 155 CO 0.53 0.14 -0.05 0.93 -0.21 0.00 0.00 178.00 179.34 3dh0 h GLU 156 N 0.00 0.00 -0.71 1.05 3.07 -1.98 -2.51 114.58 113.51 3dh0 h GLU 156 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dh0 h GLU 156 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3dh0 h GLU 156 CO 0.02 0.05 0.00 0.39 -1.40 0.00 0.00 179.01 178.07 3dh0 n GLU 157 N -4.09 2.91 -3.73 2.33 1.02 -1.00 -4.72 120.64 113.35 3dh0 n GLU 157 Ca -0.03 -1.66 -0.13 0.00 -0.02 0.00 0.00 57.16 55.32 3dh0 n GLU 157 Cb 0.14 -1.81 -0.14 0.00 -0.02 0.00 0.00 31.44 29.62 3dh0 n GLU 157 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3dh0 s VAL 158 N -1.87 -0.06 0.53 2.62 0.11 -0.95 -4.60 120.40 116.19 3dh0 s VAL 158 Ca 0.29 0.16 -0.22 0.00 -2.93 0.00 0.00 61.98 59.28 3dh0 s VAL 158 Cb 0.21 -0.34 -0.05 0.00 -1.53 0.00 0.00 36.38 34.67 3dh0 s VAL 158 CO 0.10 0.07 1.35 -0.31 -3.33 0.00 0.00 175.10 172.99 3dh0 s TYR 159 N 1.28 2.34 0.76 1.54 1.51 -1.26 -4.67 117.35 118.85 3dh0 s TYR 159 Ca -0.09 1.37 -0.11 0.00 -1.01 0.00 0.00 57.07 57.23 3dh0 s TYR 159 Cb -0.11 -3.79 0.05 0.00 -0.11 0.00 0.00 41.96 38.00 3dh0 s TYR 159 CO -0.08 -2.82 1.13 -1.54 -1.11 0.00 0.00 175.55 171.14 3dh0 s SER 160 N -0.93 4.95 -1.47 2.29 1.04 -1.26 -4.50 113.70 113.81 3dh0 s SER 160 Ca 0.70 0.92 -0.09 0.00 0.48 0.00 0.00 55.95 57.96 3dh0 s SER 160 Cb -0.40 -1.56 0.02 0.00 0.10 0.00 0.00 66.02 64.18 3dh0 s SER 160 CO 0.48 -1.63 2.59 -1.84 0.98 0.00 0.00 173.24 173.81 3dh0 n GLU 161 N -3.16 3.95 0.01 4.02 0.00 -1.26 -3.06 120.64 121.13 3dh0 n GLU 161 Ca 0.07 -2.82 0.00 0.00 0.00 0.00 0.00 57.16 54.42 3dh0 n GLU 161 Cb 0.59 -2.80 0.00 0.00 0.00 0.00 0.00 31.44 29.24 3dh0 n GLU 161 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 3dh0 n TRP 162 N 3.16 -1.99 -0.14 -1.84 7.02 -1.26 -4.82 117.44 117.57 3dh0 n TRP 162 Ca 0.67 0.04 -0.10 0.00 -1.02 0.00 0.00 57.50 57.09 3dh0 n TRP 162 Cb 0.26 0.59 -0.01 0.00 -2.42 0.00 0.00 31.31 29.73 3dh0 n TRP 162 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 3dh0 h GLU 163 N 0.00 0.67 -0.84 -0.99 9.09 -1.92 -2.16 114.58 118.43 3dh0 h GLU 163 Ca 0.00 -0.20 0.19 0.00 0.05 0.00 0.00 59.36 59.40 3dh0 h GLU 163 Cb 0.00 -0.07 -0.11 0.00 -1.65 0.00 0.00 28.75 26.92 3dh0 h GLU 163 CO 0.00 0.75 0.33 0.28 0.05 0.00 0.00 179.01 180.42 3dh0 h VAL 164 N 0.51 0.53 -0.32 -1.06 2.07 -1.88 -0.34 116.25 115.77 3dh0 h VAL 164 Ca 0.12 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3dh0 h VAL 164 Cb 0.42 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3dh0 h VAL 164 CO 0.01 0.07 0.09 1.23 0.02 0.00 0.00 177.57 179.00 3dh0 h GLY 165 N 0.40 0.53 2.00 2.17 0.00 -1.72 -2.12 103.07 104.34 3dh0 h GLY 165 Ca 0.50 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 3dh0 h GLY 165 CO -0.49 0.30 -0.21 1.41 0.00 0.00 0.00 176.54 177.55 3dh0 h LEU 166 N 0.36 0.00 0.24 3.11 3.38 -0.60 -0.70 115.31 121.09 3dh0 h LEU 166 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3dh0 h LEU 166 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3dh0 h LEU 166 CO -0.00 0.21 -0.11 0.40 0.09 0.00 0.00 178.44 179.02 3dh0 h ILE 167 N 0.00 0.72 -0.39 1.22 2.04 -0.89 0.09 117.51 120.30 3dh0 h ILE 167 Ca -0.00 -0.88 0.08 0.00 1.00 0.00 0.00 64.86 65.06 3dh0 h ILE 167 Cb 0.46 1.15 -0.09 0.00 -0.74 0.00 0.00 36.82 37.60 3dh0 h ILE 167 CO 0.03 0.16 -0.23 -0.07 0.00 0.00 0.00 178.15 178.04 3dh0 h LEU 168 N -0.84 -0.78 -0.31 1.44 4.07 -1.10 0.42 115.31 118.21 3dh0 h LEU 168 Ca -0.03 0.16 0.06 0.00 0.08 0.00 0.00 57.88 58.15 3dh0 h LEU 168 Cb 0.51 0.40 -0.06 0.00 1.08 0.00 0.00 40.66 42.59 3dh0 h LEU 168 CO 0.05 -0.26 -0.08 -0.08 -1.08 0.00 0.00 178.44 177.00 3dh0 h GLU 169 N -0.17 -0.00 0.00 1.13 4.81 -1.07 0.23 114.58 119.52 3dh0 h GLU 169 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3dh0 h GLU 169 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3dh0 h GLU 169 CO -0.49 -0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 174.32 3dh0 n ASP 170 N -5.26 0.00 -0.93 1.04 2.03 0.02 -1.37 116.55 112.08 3dh0 n ASP 170 Ca 0.00 0.48 0.09 0.00 0.52 0.00 0.00 54.79 55.89 3dh0 n ASP 170 Cb 0.17 -0.49 0.18 0.00 -0.72 0.00 0.00 41.12 40.27 3dh0 n ASP 170 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dh0 n ALA 171 N -1.49 2.36 0.00 -1.67 0.00 0.13 -4.95 120.51 114.89 3dh0 n ALA 171 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.47 3dh0 n ALA 171 Cb 0.16 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3dh0 n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dh0 n GLY 172 N 1.12 3.08 3.76 0.00 0.00 -0.47 -4.94 105.19 107.73 3dh0 n GLY 172 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3dh0 n GLY 172 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dh0 s ILE 173 N -1.71 2.67 -0.20 -0.61 1.09 -0.01 -4.91 121.20 117.52 3dh0 s ILE 173 Ca 0.00 0.63 -0.08 0.00 -1.10 0.00 0.00 60.65 60.10 3dh0 s ILE 173 Cb 0.00 -3.40 -0.04 0.00 -1.06 0.00 0.00 42.46 37.96 3dh0 s ILE 173 CO 0.00 0.13 0.07 0.00 -0.10 0.00 0.00 174.94 175.04 3dh0 s ARG 174 N -1.26 3.93 -0.36 2.79 1.70 -1.20 -3.11 118.95 121.44 3dh0 s ARG 174 Ca 0.53 -0.36 -0.24 0.00 -0.47 0.00 0.00 55.73 55.18 3dh0 s ARG 174 Cb -0.41 -3.27 0.01 0.00 -0.57 0.00 0.00 34.95 30.72 3dh0 s ARG 174 CO 0.50 0.17 0.85 0.08 -1.08 0.00 0.00 175.30 175.82 3dh0 s VAL 175 N 0.66 4.67 -0.06 4.99 1.01 -1.26 -1.78 120.40 128.63 3dh0 s VAL 175 Ca 0.04 1.08 -0.23 0.00 0.00 0.00 0.00 61.98 62.87 3dh0 s VAL 175 Cb -0.13 -4.26 -0.28 0.00 0.00 0.00 0.00 36.38 31.71 3dh0 s VAL 175 CO 0.02 -0.45 0.92 1.23 0.00 0.00 0.00 175.10 176.81 3dh0 h GLY 176 N 9.85 0.27 -3.59 4.51 0.00 -0.46 -3.48 103.07 110.17 3dh0 h GLY 176 Ca -0.24 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.42 3dh0 h GLY 176 CO 0.94 0.55 0.17 1.09 0.00 0.00 0.00 176.54 179.29 3dh0 s ARG 177 N -2.59 1.13 -0.22 4.80 1.70 -0.86 -5.02 118.95 117.90 3dh0 s ARG 177 Ca -0.15 -0.08 0.00 0.00 -0.47 0.00 0.00 55.73 55.03 3dh0 s ARG 177 Cb 0.00 0.53 0.05 0.00 -0.57 0.00 0.00 34.95 34.97 3dh0 s ARG 177 CO 0.79 -0.42 -0.05 0.08 -1.08 0.00 0.00 175.30 174.62 3dh0 s VAL 178 N -2.30 1.41 0.48 4.99 1.01 -1.26 0.46 120.40 125.19 3dh0 s VAL 178 Ca -0.06 -1.06 0.07 0.00 0.00 0.00 0.00 61.98 60.93 3dh0 s VAL 178 Cb -0.00 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.73 3dh0 s VAL 178 CO -0.00 -0.04 0.37 -0.69 0.00 0.00 0.00 175.10 174.74 3dh0 s VAL 179 N 1.46 2.12 -0.11 2.92 1.01 -0.17 -4.95 120.40 122.68 3dh0 s VAL 179 Ca -0.04 -1.46 -0.05 0.00 0.00 0.00 0.00 61.98 60.44 3dh0 s VAL 179 Cb -0.18 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3dh0 s VAL 179 CO -0.07 0.00 0.07 -1.83 0.00 0.00 0.00 175.10 173.27 3dh0 s GLU 180 N -4.18 3.27 -0.28 2.72 -1.05 -1.26 -1.10 118.70 116.82 3dh0 s GLU 180 Ca 0.41 -0.28 0.02 0.00 -0.15 0.00 0.00 54.97 54.97 3dh0 s GLU 180 Cb -0.02 -3.01 0.06 0.00 -0.44 0.00 0.00 34.13 30.73 3dh0 s GLU 180 CO 0.24 0.70 -0.06 0.08 0.95 0.00 0.00 175.26 177.18 3dh0 s VAL 181 N -0.85 2.38 -1.78 1.83 1.01 -0.32 -4.77 120.40 117.91 3dh0 s VAL 181 Ca 0.13 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.43 3dh0 s VAL 181 Cb -0.12 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3dh0 s VAL 181 CO 0.03 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.61 3dh0 n GLY 182 N 4.45 1.61 3.52 4.51 0.00 -1.26 -1.79 105.19 116.24 3dh0 n GLY 182 Ca -0.11 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 3dh0 n GLY 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dh0 n LYS 183 N -1.91 -2.09 0.00 1.61 5.02 -1.26 -4.70 118.16 114.83 3dh0 n LYS 183 Ca -0.17 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 3dh0 n LYS 183 Cb 0.63 -4.91 0.00 0.00 -0.02 0.00 0.00 35.03 30.73 3dh0 n LYS 183 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3dh0 n TYR 184 N -3.84 0.00 -4.23 2.13 0.53 -1.23 -5.10 117.16 105.43 3dh0 n TYR 184 Ca -0.11 0.00 -0.11 0.00 -1.02 0.00 0.00 57.90 56.66 3dh0 n TYR 184 Cb 0.61 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.89 3dh0 n TYR 184 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3dh0 s PHE 186 N -2.02 -0.01 -0.11 0.00 -0.12 -0.87 -1.17 117.98 113.68 3dh0 s PHE 186 Ca 0.06 -0.11 -0.00 0.00 -0.05 0.00 0.00 56.93 56.83 3dh0 s PHE 186 Cb 0.00 -0.00 0.02 0.00 -0.63 0.00 0.00 43.02 42.42 3dh0 s PHE 186 CO 0.04 -0.39 -0.09 0.20 -0.05 0.00 0.00 175.22 174.94 3dh0 s GLY 187 N -1.73 0.86 -0.11 1.99 0.00 -0.26 -2.31 107.32 105.76 3dh0 s GLY 187 Ca -0.10 -0.58 -0.08 0.00 0.00 0.00 0.00 44.72 43.96 3dh0 s GLY 187 CO -0.01 0.72 0.18 -1.34 0.00 0.00 0.00 173.10 172.65 3dh0 s VAL 188 N 1.60 5.43 -0.21 1.40 -7.23 0.10 -1.00 120.40 120.49 3dh0 s VAL 188 Ca 0.03 0.30 -0.00 0.00 -1.81 0.00 0.00 61.98 60.51 3dh0 s VAL 188 Cb -0.13 -3.45 0.02 0.00 0.56 0.00 0.00 36.38 33.38 3dh0 s VAL 188 CO -0.08 0.60 -0.13 -0.47 -0.31 0.00 0.00 175.10 174.71 3dh0 s TYR 189 N -0.90 2.93 0.21 2.82 6.14 0.17 -1.68 117.35 127.04 3dh0 s TYR 189 Ca 0.16 -1.57 0.02 0.00 0.64 0.00 0.00 57.07 56.32 3dh0 s TYR 189 Cb -0.13 -1.99 -0.05 0.00 0.42 0.00 0.00 41.96 40.22 3dh0 s TYR 189 CO 0.05 -0.75 0.02 0.00 0.64 0.00 0.00 175.55 175.51 3dh0 s ALA 190 N 1.31 1.59 -0.03 3.97 0.00 -0.17 0.35 121.76 128.78 3dh0 s ALA 190 Ca 0.03 -1.72 0.03 0.00 0.00 0.00 0.00 51.96 50.30 3dh0 s ALA 190 Cb -0.15 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.62 3dh0 s ALA 190 CO -0.08 -0.33 -0.12 1.41 0.00 0.00 0.00 175.76 176.63 3dh0 s MET 191 N -3.93 1.28 0.19 0.00 1.75 -0.74 0.02 119.30 117.87 3dh0 s MET 191 Ca 0.29 -0.43 -0.09 0.00 -1.25 0.00 0.00 55.69 54.21 3dh0 s MET 191 Cb 0.06 -1.16 -0.07 0.00 2.84 0.00 0.00 34.83 36.51 3dh0 s MET 191 CO 0.08 0.17 0.49 0.42 -0.65 0.00 0.00 175.02 175.53 3dh0 s ILE 192 N 0.13 5.00 0.00 10.11 1.01 0.36 -3.25 121.20 134.56 3dh0 s ILE 192 Ca -0.03 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.01 3dh0 s ILE 192 Cb -0.10 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.74 3dh0 s ILE 192 CO 0.01 0.02 0.00 0.55 0.00 0.00 0.00 174.94 175.52