#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxr s PHE 2 N 0.00 0.80 -0.18 0.00 0.08 -1.26 -5.15 117.98 112.27 1dxr s PHE 2 Ca 0.00 -1.17 0.01 0.00 0.12 0.00 0.00 56.93 55.89 1dxr s PHE 2 Cb 0.00 -0.47 0.03 0.00 -0.57 0.00 0.00 43.02 42.00 1dxr s PHE 2 CO 0.00 -0.45 -0.16 -1.21 -0.10 0.00 0.00 175.22 173.30 1dxr s GLU 3 N -4.00 2.56 0.46 0.44 2.02 -1.26 -5.12 118.70 113.81 1dxr s GLU 3 Ca 0.19 -0.76 -0.23 0.00 0.02 0.00 0.00 54.97 54.19 1dxr s GLU 3 Cb 0.07 -2.39 -0.08 0.00 0.10 0.00 0.00 34.13 31.83 1dxr s GLU 3 CO -0.01 -0.27 1.14 -1.25 0.02 0.00 0.00 175.26 174.89 1dxr s PRO 4 N 1.37 3.79 0.92 0.39 0.04 -1.26 -5.01 135.00 135.23 1dxr s PRO 4 Ca 0.03 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 1dxr s PRO 4 Cb -0.14 -2.38 0.14 0.00 0.04 0.00 0.00 34.50 32.16 1dxr s PRO 4 CO -0.11 -0.51 1.09 -1.25 0.04 0.00 0.00 177.00 176.26 1dxr s PRO 5 N -2.73 1.09 0.54 0.56 0.04 -1.26 -4.73 135.00 128.51 1dxr s PRO 5 Ca 0.64 0.95 -0.16 0.00 0.04 0.00 0.00 61.00 62.46 1dxr s PRO 5 Cb -0.27 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 1dxr s PRO 5 CO 0.32 -2.39 1.01 -1.25 0.04 0.00 0.00 177.00 174.73 1dxr s PRO 6 N -4.84 3.77 -0.01 0.56 0.04 -1.26 -5.13 135.00 128.13 1dxr s PRO 6 Ca 0.64 1.00 -0.06 0.00 0.04 0.00 0.00 61.00 62.63 1dxr s PRO 6 Cb -0.19 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1dxr s PRO 6 CO 0.58 -0.42 0.23 0.00 0.04 0.00 0.00 177.00 177.43 1dxr s ALA 7 N -2.62 3.88 -0.20 8.56 0.00 -1.26 -4.44 121.76 125.68 1dxr s ALA 7 Ca 0.60 -0.63 -0.21 0.00 0.00 0.00 0.00 51.96 51.72 1dxr s ALA 7 Cb -0.11 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 1dxr s ALA 7 CO 0.34 0.67 0.64 0.99 0.00 0.00 0.00 175.76 178.40 1dxr s THR 8 N -1.27 5.01 0.04 0.00 2.01 -0.04 -4.93 115.64 116.47 1dxr s THR 8 Ca 0.26 1.22 0.08 0.00 0.31 0.00 0.00 61.69 63.55 1dxr s THR 8 Cb -0.13 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1dxr s THR 8 CO 0.15 0.11 -0.22 0.42 -0.69 0.00 0.00 174.62 174.39 1dxr s THR 9 N 1.92 1.77 0.44 -0.82 -4.23 -1.26 -0.19 115.64 113.27 1dxr s THR 9 Ca 0.29 -1.23 0.06 0.00 -1.18 0.00 0.00 61.69 59.63 1dxr s THR 9 Cb -0.16 -1.53 -0.06 0.00 1.34 0.00 0.00 72.50 72.09 1dxr s THR 9 CO 0.10 0.25 0.05 0.42 -0.54 0.00 0.00 174.62 174.90 1dxr s THR 10 N -0.79 1.84 -0.12 3.99 -4.23 -0.65 -4.95 115.64 110.74 1dxr s THR 10 Ca 0.08 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1dxr s THR 10 Cb -0.09 -2.77 -0.00 0.00 1.34 0.00 0.00 72.50 70.97 1dxr s THR 10 CO 0.02 0.00 -0.21 -1.58 -0.54 0.00 0.00 174.62 172.31 1dxr s GLN 11 N -3.80 3.12 0.00 3.99 0.74 -1.26 -3.64 119.66 118.81 1dxr s GLN 11 Ca 0.29 -0.83 0.00 0.00 0.05 0.00 0.00 55.36 54.87 1dxr s GLN 11 Cb 0.07 -2.41 0.00 0.00 1.10 0.00 0.00 33.01 31.76 1dxr s GLN 11 CO 0.15 0.14 0.64 0.25 -0.55 0.00 0.00 175.29 175.92 1dxr n THR 12 N 3.66 0.41 -4.09 -0.34 -2.24 -0.66 -4.90 114.28 106.11 1dxr n THR 12 Ca -0.19 -0.54 -0.10 0.00 -2.27 0.00 0.00 64.05 60.95 1dxr n THR 12 Cb 0.53 0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 69.60 1dxr n THR 12 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1dxr s GLY 13 N -0.41 0.97 0.41 3.38 0.00 -1.25 -4.92 107.32 105.50 1dxr s GLY 13 Ca 0.00 -1.27 -0.24 0.00 0.00 0.00 0.00 44.72 43.21 1dxr s GLY 13 CO 0.00 -0.99 0.86 0.33 0.00 0.00 0.00 173.10 173.29 1dxr n PHE 14 N -0.33 0.62 -1.71 1.90 7.35 -1.26 -4.86 117.46 119.18 1dxr n PHE 14 Ca 0.00 0.59 -0.43 0.00 -0.76 0.00 0.00 57.45 56.85 1dxr n PHE 14 Cb 0.64 -2.15 -0.01 0.00 0.35 0.00 0.00 39.48 38.31 1dxr n PHE 14 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 1dxr n ARG 15 N 0.29 2.21 -0.53 -4.13 1.85 -1.26 -2.74 116.66 112.35 1dxr n ARG 15 Ca 0.10 0.78 0.00 0.00 -1.00 0.00 0.00 57.85 57.73 1dxr n ARG 15 Cb 0.39 -2.40 0.00 0.00 -1.05 0.00 0.00 32.46 29.40 1dxr n ARG 15 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1dxr n GLY 16 N 1.01 0.75 0.53 2.89 0.00 -1.26 -4.93 105.19 104.18 1dxr n GLY 16 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1dxr n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dxr n LEU 17 N 0.00 2.09 -3.83 0.99 4.77 -1.11 -5.00 117.00 114.91 1dxr n LEU 17 Ca 0.00 -0.79 -0.25 0.00 -0.03 0.00 0.00 56.01 54.94 1dxr n LEU 17 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1dxr n LEU 17 CO 0.00 0.38 -0.03 -0.24 -1.33 0.00 0.00 177.39 176.17 1dxr n SER 18 N 0.12 -2.32 -4.54 -1.43 2.88 -1.26 -5.00 113.62 102.06 1dxr n SER 18 Ca 0.09 -0.84 -0.34 0.00 -1.33 0.00 0.00 58.87 56.45 1dxr n SER 18 Cb 0.47 -3.80 -0.11 0.00 -0.75 0.00 0.00 64.21 60.01 1dxr n SER 18 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1dxr s MET 19 N -6.31 3.66 0.00 -1.46 1.00 -1.26 -5.02 119.30 109.91 1dxr s MET 19 Ca 0.25 -0.48 0.00 0.00 0.00 0.00 0.00 55.69 55.46 1dxr s MET 19 Cb -0.13 -2.96 0.00 0.00 0.00 0.00 0.00 34.83 31.75 1dxr s MET 19 CO 0.83 0.29 0.00 0.41 0.00 0.00 0.00 175.02 176.56 1dxr n GLY 20 N 3.39 -2.08 3.82 -0.03 0.00 -1.26 -1.65 105.19 107.38 1dxr n GLY 20 Ca -0.17 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 1dxr n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dxr s GLU 21 N -1.81 4.27 -0.21 1.61 2.02 -1.24 -4.67 118.70 118.66 1dxr s GLU 21 Ca 0.00 1.08 -0.01 0.00 0.02 0.00 0.00 54.97 56.06 1dxr s GLU 21 Cb 0.00 -2.39 0.06 0.00 0.10 0.00 0.00 34.13 31.89 1dxr s GLU 21 CO 0.00 0.09 -0.02 0.08 0.02 0.00 0.00 175.26 175.43 1dxr s VAL 22 N -1.99 1.14 0.01 2.63 1.01 -1.26 -1.63 120.40 120.31 1dxr s VAL 22 Ca 0.57 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1dxr s VAL 22 Cb -0.12 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1dxr s VAL 22 CO 0.16 -0.11 -0.24 -0.76 0.00 0.00 0.00 175.10 174.15 1dxr s LEU 23 N 1.58 2.11 -0.28 3.92 2.01 0.73 -4.97 118.68 123.78 1dxr s LEU 23 Ca -0.03 -0.50 -0.16 0.00 0.01 0.00 0.00 54.13 53.45 1dxr s LEU 23 Cb -0.18 -1.18 -0.03 0.00 0.01 0.00 0.00 46.19 44.81 1dxr s LEU 23 CO -0.07 0.25 0.42 -2.28 1.01 0.00 0.00 176.35 175.69 1dxr s HIS 24 N -0.68 3.24 0.42 0.29 5.65 -1.26 -0.86 115.29 122.09 1dxr s HIS 24 Ca 0.10 0.42 0.12 0.00 0.25 0.00 0.00 55.06 55.94 1dxr s HIS 24 Cb -0.09 -2.65 0.97 0.00 -1.18 0.00 0.00 32.58 29.62 1dxr s HIS 24 CO 0.01 -0.29 1.98 -1.35 -0.65 0.00 0.00 174.74 174.44 1dxr h PRO 25 N 8.18 0.47 -0.27 2.88 0.11 -1.93 -1.24 132.00 140.19 1dxr h PRO 25 Ca -0.30 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.66 1dxr h PRO 25 Cb 1.15 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1dxr h PRO 25 CO 0.68 0.31 -0.34 0.00 -0.21 0.00 0.00 178.00 178.44 1dxr h ALA 26 N 1.69 0.90 -0.49 -0.75 0.00 -1.94 -1.57 119.26 117.09 1dxr h ALA 26 Ca 0.27 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1dxr h ALA 26 Cb 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1dxr h ALA 26 CO -0.08 0.63 -0.04 1.15 0.00 0.00 0.00 179.25 180.90 1dxr h THR 27 N 0.50 1.27 -0.61 0.00 2.02 -1.66 -1.22 112.91 113.21 1dxr h THR 27 Ca 0.05 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.04 1dxr h THR 27 Cb 0.83 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1dxr h THR 27 CO 0.07 0.40 0.18 0.58 0.37 0.00 0.00 175.52 177.11 1dxr h VAL 28 N 0.76 1.25 -0.60 3.16 2.07 -1.22 -1.05 116.25 120.61 1dxr h VAL 28 Ca 0.13 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1dxr h VAL 28 Cb 0.57 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1dxr h VAL 28 CO 0.03 0.32 0.30 0.50 0.02 0.00 0.00 177.57 178.75 1dxr h LYS 29 N 0.87 0.85 -0.58 1.57 3.64 -1.12 0.19 116.57 121.99 1dxr h LYS 29 Ca 0.19 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1dxr h LYS 29 Cb 0.31 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1dxr h LYS 29 CO -0.00 0.67 0.16 0.00 -2.27 0.00 0.00 179.45 178.01 1dxr h ALA 30 N 1.13 0.77 -0.39 5.00 0.00 -0.79 -0.96 119.26 124.02 1dxr h ALA 30 Ca 0.21 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1dxr h ALA 30 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1dxr h ALA 30 CO -0.03 0.46 -0.24 0.87 0.00 0.00 0.00 179.25 180.32 1dxr h LYS 31 N 0.84 0.79 -0.72 0.00 1.57 -0.73 -2.15 116.57 116.16 1dxr h LYS 31 Ca 0.19 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1dxr h LYS 31 Cb 0.33 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1dxr h LYS 31 CO -0.00 0.95 0.48 0.87 -0.57 0.00 0.00 179.45 181.18 1dxr h LYS 32 N 0.69 0.95 -0.28 3.15 1.57 -0.10 -0.58 116.57 121.97 1dxr h LYS 32 Ca 0.09 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1dxr h LYS 32 Cb 0.75 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1dxr h LYS 32 CO 0.06 0.63 -0.03 0.93 -0.57 0.00 0.00 179.45 180.47 1dxr h GLU 33 N 0.98 0.52 -0.54 3.15 5.08 -1.04 0.19 114.58 122.92 1dxr h GLU 33 Ca 0.26 -0.18 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1dxr h GLU 33 Cb -0.11 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 1dxr h GLU 33 CO -0.06 0.70 0.24 -0.09 -1.00 0.00 0.00 179.01 178.81 1dxr h ARG 34 N 0.30 0.45 0.00 2.33 2.43 -1.20 -2.77 114.38 115.92 1dxr h ARG 34 Ca 0.08 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1dxr h ARG 34 Cb 0.49 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1dxr h ARG 34 CO 0.02 0.30 0.00 -0.44 -1.51 0.00 0.00 179.97 178.34 1dxr h ASP 35 N 0.46 0.00 0.53 -3.80 3.32 -0.71 -2.85 116.42 113.37 1dxr h ASP 35 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1dxr h ASP 35 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1dxr h ASP 35 CO -0.21 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.31 1dxr n ALA 36 N -2.05 1.65 0.63 3.45 0.00 0.63 -1.91 120.51 122.91 1dxr n ALA 36 Ca 0.04 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.54 1dxr n ALA 36 Cb 0.48 -1.26 0.38 0.00 0.00 0.00 0.00 19.45 19.05 1dxr n ALA 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1dxr n GLN 37 N -1.66 0.06 -1.49 0.00 6.02 -1.08 -4.76 117.38 114.47 1dxr n GLN 37 Ca 0.03 0.19 -0.55 0.00 -0.01 0.00 0.00 57.00 56.66 1dxr n GLN 37 Cb 0.18 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.86 1dxr n GLN 37 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1dxr n TYR 38 N -1.45 1.65 -1.66 1.08 4.19 -0.80 -4.90 117.16 115.27 1dxr n TYR 38 Ca 0.05 0.47 -0.40 0.00 3.31 0.00 0.00 57.90 61.33 1dxr n TYR 38 Cb 0.18 -2.45 0.03 0.00 0.49 0.00 0.00 39.34 37.58 1dxr n TYR 38 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1dxr n PRO 39 N 7.16 1.45 -1.38 2.98 -0.02 -1.26 -4.97 135.00 138.96 1dxr n PRO 39 Ca 0.40 0.53 -0.31 0.00 -2.02 0.00 0.00 63.50 62.10 1dxr n PRO 39 Cb 0.14 -2.25 0.08 0.00 -0.02 0.00 0.00 33.50 31.45 1dxr n PRO 39 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1dxr s PRO 40 N -2.38 2.31 0.31 0.52 0.04 -1.26 -4.97 135.00 129.57 1dxr s PRO 40 Ca 0.67 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 1dxr s PRO 40 Cb -0.49 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.02 1dxr s PRO 40 CO 0.54 -1.55 1.51 0.00 0.04 0.00 0.00 177.00 177.53 1dxr n ALA 41 N -3.44 2.15 -1.75 8.56 0.00 -1.26 -4.97 120.51 119.81 1dxr n ALA 41 Ca 0.08 0.37 -0.37 0.00 0.00 0.00 0.00 53.44 53.52 1dxr n ALA 41 Cb 0.54 -2.40 0.04 0.00 0.00 0.00 0.00 19.45 17.63 1dxr n ALA 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1dxr s LEU 42 N -0.83 3.76 0.46 0.00 1.43 -1.26 -4.97 118.68 117.26 1dxr s LEU 42 Ca 0.61 2.58 -0.23 0.00 -1.03 0.00 0.00 54.13 56.06 1dxr s LEU 42 Cb -0.52 -4.43 -0.10 0.00 0.03 0.00 0.00 46.19 41.17 1dxr s LEU 42 CO 0.54 -1.60 0.95 0.00 0.23 0.00 0.00 176.35 176.47 1dxr n ALA 43 N -1.31 0.03 -1.78 4.21 0.00 -1.26 -4.94 120.51 115.46 1dxr n ALA 43 Ca 0.12 0.18 -0.35 0.00 0.00 0.00 0.00 53.44 53.39 1dxr n ALA 43 Cb 0.47 -2.06 -0.00 0.00 0.00 0.00 0.00 19.45 17.86 1dxr n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dxr s ALA 44 N -1.35 2.73 0.18 0.00 0.00 -1.26 -5.05 121.76 117.03 1dxr s ALA 44 Ca 0.65 0.81 0.11 0.00 0.00 0.00 0.00 51.96 53.53 1dxr s ALA 44 Cb -0.53 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 1dxr s ALA 44 CO 0.55 -0.71 -0.21 0.14 0.00 0.00 0.00 175.76 175.53 1dxr s VAL 45 N -1.78 2.55 0.12 0.00 -7.23 -1.26 -5.12 120.40 107.69 1dxr s VAL 45 Ca 0.72 -1.91 -0.28 0.00 -1.81 0.00 0.00 61.98 58.70 1dxr s VAL 45 Cb -0.23 -2.23 -0.07 0.00 0.56 0.00 0.00 36.38 34.41 1dxr s VAL 45 CO 0.27 -0.09 0.86 -0.75 -0.31 0.00 0.00 175.10 175.07 1dxr s LYS 46 N -2.65 4.64 -0.98 4.82 2.20 -1.26 -4.92 119.74 121.60 1dxr s LYS 46 Ca 0.21 1.28 -0.24 0.00 -0.36 0.00 0.00 55.97 56.87 1dxr s LYS 46 Cb -0.08 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 32.92 1dxr s LYS 46 CO 0.11 0.35 1.58 0.00 -0.36 0.00 0.00 175.35 177.03 1dxr s ALA 47 N -0.43 2.43 -0.10 3.13 0.00 -1.26 -4.74 121.76 120.80 1dxr s ALA 47 Ca 0.41 -2.02 0.01 0.00 0.00 0.00 0.00 51.96 50.36 1dxr s ALA 47 Cb -0.23 -4.53 -0.02 0.00 0.00 0.00 0.00 23.12 18.34 1dxr s ALA 47 CO 0.27 -3.93 -0.11 -1.21 0.00 0.00 0.00 175.76 170.78 1dxr s GLU 48 N 5.56 3.06 0.00 0.00 2.02 -1.26 -5.06 118.70 123.02 1dxr s GLU 48 Ca 0.52 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.87 1dxr s GLU 48 Cb -0.02 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.62 1dxr s GLU 48 CO -0.06 0.41 0.00 0.41 0.02 0.00 0.00 175.26 176.04 1dxr n GLY 49 N 2.95 -1.23 3.79 -1.39 0.00 -1.26 -4.33 105.19 103.72 1dxr n GLY 49 Ca -0.18 -2.21 -0.32 0.00 0.00 0.00 0.00 46.02 43.32 1dxr n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dxr s PRO 50 N -0.52 2.75 0.47 1.61 0.04 -1.26 -4.92 135.00 133.17 1dxr s PRO 50 Ca 0.00 1.14 -0.24 0.00 0.04 0.00 0.00 61.00 61.94 1dxr s PRO 50 Cb 0.00 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 1dxr s PRO 50 CO 0.00 -1.26 1.32 -0.35 0.04 0.00 0.00 177.00 176.75 1dxr n PRO 51 N -2.95 1.89 0.00 0.56 -0.04 -1.26 -4.10 135.00 129.09 1dxr n PRO 51 Ca 0.09 0.68 0.05 0.00 -0.04 0.00 0.00 63.50 64.27 1dxr n PRO 51 Cb 0.53 -2.48 0.23 0.00 -0.04 0.00 0.00 33.50 31.73 1dxr n PRO 51 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1dxr n VAL 52 N -0.52 0.90 0.16 0.52 0.24 0.38 -1.30 118.33 118.70 1dxr n VAL 52 Ca 0.08 0.23 0.06 0.00 -2.04 0.00 0.00 64.34 62.66 1dxr n VAL 52 Cb 0.42 -1.07 0.54 0.00 -1.47 0.00 0.00 33.84 32.26 1dxr n VAL 52 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1dxr h SER 53 N 0.00 0.18 0.00 -1.34 4.64 -1.36 0.26 113.55 115.93 1dxr h SER 53 Ca 0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1dxr h SER 53 Cb 0.10 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1dxr h SER 53 CO 0.00 0.16 -0.51 1.56 -0.87 0.00 0.00 176.83 177.17 1dxr h GLN 54 N 0.21 0.00 -0.63 4.77 4.20 -1.48 -3.42 115.11 118.76 1dxr h GLN 54 Ca 0.05 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.88 1dxr h GLN 54 Cb 0.02 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.68 1dxr h GLN 54 CO -0.01 0.07 -0.31 0.28 -0.67 0.00 0.00 178.83 178.19 1dxr h VAL 55 N -1.00 0.18 -0.78 -0.54 2.07 -1.43 -3.43 116.25 111.32 1dxr h VAL 55 Ca -0.02 0.00 -0.50 0.00 0.82 0.00 0.00 66.70 67.00 1dxr h VAL 55 Cb 0.51 0.18 0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1dxr h VAL 55 CO -0.01 0.00 -0.13 -0.31 0.02 0.00 0.00 177.57 177.14 1dxr s TYR 56 N -6.04 1.47 -0.25 1.57 2.02 0.90 -5.04 117.35 111.98 1dxr s TYR 56 Ca -0.14 -0.73 -0.02 0.00 -0.37 0.00 0.00 57.07 55.81 1dxr s TYR 56 Cb 0.17 -2.18 -0.15 0.00 -0.40 0.00 0.00 41.96 39.41 1dxr s TYR 56 CO 0.70 -1.05 -0.24 1.63 -1.57 0.00 0.00 175.55 175.02 1dxr n LYS 57 N -2.17 0.60 -2.66 -0.62 5.02 -1.26 -4.73 118.16 112.34 1dxr n LYS 57 Ca 0.13 0.16 -0.18 0.00 -2.02 0.00 0.00 58.31 56.40 1dxr n LYS 57 Cb 0.62 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 34.16 1dxr n LYS 57 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1dxr n ASN 58 N -3.43 2.93 -4.35 4.39 5.15 -1.26 -5.02 115.26 113.67 1dxr n ASN 58 Ca -0.45 -3.22 -0.40 0.00 -0.60 0.00 0.00 54.58 49.92 1dxr n ASN 58 Cb 0.94 -0.51 -0.11 0.00 -0.53 0.00 0.00 39.78 39.56 1dxr n ASN 58 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1dxr s VAL 59 N -4.13 4.37 -0.19 3.44 1.01 -1.26 -4.95 120.40 118.69 1dxr s VAL 59 Ca 0.38 -0.91 0.16 0.00 0.00 0.00 0.00 61.98 61.62 1dxr s VAL 59 Cb 0.41 -3.44 -0.23 0.00 0.00 0.00 0.00 36.38 33.12 1dxr s VAL 59 CO -0.08 -0.20 0.05 0.29 0.00 0.00 0.00 175.10 175.16 1dxr n LYS 60 N 4.95 0.84 -0.10 2.72 4.76 -1.26 -4.39 118.16 125.68 1dxr n LYS 60 Ca -0.12 -0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.14 1dxr n LYS 60 Cb 0.46 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 32.08 1dxr n LYS 60 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1dxr n VAL 61 N -2.74 1.09 -1.25 -0.18 0.31 -1.26 -4.69 118.33 109.61 1dxr n VAL 61 Ca -0.32 -0.34 -0.15 0.00 -0.01 0.00 0.00 64.34 63.52 1dxr n VAL 61 Cb 1.12 -1.50 0.21 0.00 -0.91 0.00 0.00 33.84 32.76 1dxr n VAL 61 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1dxr n LEU 62 N -3.51 5.91 0.31 7.52 4.77 -1.26 -4.66 117.00 126.07 1dxr n LEU 62 Ca -0.37 -3.57 0.20 0.00 -0.03 0.00 0.00 56.01 52.25 1dxr n LEU 62 Cb 0.81 -0.77 1.05 0.00 -2.33 0.00 0.00 43.42 42.19 1dxr n LEU 62 CO 0.10 1.05 1.11 1.23 -1.33 0.00 0.00 177.39 179.55 1dxr h GLY 63 N 1.32 0.00 1.65 -0.72 0.00 -1.84 -1.37 103.07 102.10 1dxr h GLY 63 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1dxr h GLY 63 CO 0.84 0.00 -0.17 1.16 0.00 0.00 0.00 176.54 178.37 1dxr n ASN 64 N -2.97 0.18 -4.79 0.19 6.94 -1.26 -1.09 115.26 112.45 1dxr n ASN 64 Ca -0.02 0.23 -0.36 0.00 -0.02 0.00 0.00 54.58 54.41 1dxr n ASN 64 Cb 0.11 -0.24 -0.04 0.00 -2.36 0.00 0.00 39.78 37.25 1dxr n ASN 64 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1dxr s LEU 65 N -2.99 4.04 0.84 -4.53 1.43 -0.52 -4.70 118.68 112.24 1dxr s LEU 65 Ca 0.13 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 55.12 1dxr s LEU 65 Cb 0.18 -4.31 0.09 0.00 0.03 0.00 0.00 46.19 42.19 1dxr s LEU 65 CO 0.59 -0.59 1.10 0.42 0.23 0.00 0.00 176.35 178.09 1dxr s THR 66 N -1.76 2.83 0.15 5.49 -4.23 -1.26 -0.47 115.64 116.38 1dxr s THR 66 Ca 0.61 0.27 -0.19 0.00 -1.18 0.00 0.00 61.69 61.20 1dxr s THR 66 Cb -0.20 -2.94 0.05 0.00 1.34 0.00 0.00 72.50 70.75 1dxr s THR 66 CO 0.25 -0.35 1.67 -0.33 -0.54 0.00 0.00 174.62 175.32 1dxr h GLU 67 N -1.27 -0.06 -0.70 3.99 5.08 -1.76 -0.20 114.58 119.66 1dxr h GLU 67 Ca -0.48 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1dxr h GLU 67 Cb 1.28 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 1dxr h GLU 67 CO 0.58 -0.04 0.46 0.00 -1.00 0.00 0.00 179.01 179.01 1dxr h ALA 68 N 1.21 0.90 -0.31 3.43 0.00 -1.87 -1.28 119.26 121.34 1dxr h ALA 68 Ca 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1dxr h ALA 68 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1dxr h ALA 68 CO -0.36 0.30 0.12 0.93 0.00 0.00 0.00 179.25 180.24 1dxr h GLU 69 N 0.94 0.46 -0.65 0.00 5.08 -1.74 -1.92 114.58 116.74 1dxr h GLU 69 Ca 0.26 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1dxr h GLU 69 Cb -0.09 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1dxr h GLU 69 CO -0.07 0.47 0.39 0.35 -1.00 0.00 0.00 179.01 179.15 1dxr h PHE 70 N 0.35 0.86 0.00 4.33 3.57 -0.80 -1.97 116.94 123.27 1dxr h PHE 70 Ca 0.10 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 1dxr h PHE 70 Cb 0.18 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1dxr h PHE 70 CO -0.01 0.59 -0.58 -0.07 -2.23 0.00 0.00 178.31 176.01 1dxr h LEU 71 N 0.88 0.00 -0.70 0.59 3.38 -1.12 -0.87 115.31 117.47 1dxr h LEU 71 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1dxr h LEU 71 Cb -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1dxr h LEU 71 CO -0.04 0.58 0.43 -0.09 0.09 0.00 0.00 178.44 179.41 1dxr h ARG 72 N 0.00 0.95 -0.29 1.13 2.43 -1.03 -0.58 114.38 116.99 1dxr h ARG 72 Ca -0.01 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1dxr h ARG 72 Cb 1.10 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1dxr h ARG 72 CO 0.08 0.67 0.10 1.15 -1.51 0.00 0.00 179.97 180.46 1dxr h THR 73 N 0.96 1.19 -0.49 0.20 2.02 -0.58 -0.42 112.91 115.79 1dxr h THR 73 Ca 0.25 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1dxr h THR 73 Cb -0.04 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1dxr h THR 73 CO -0.05 0.20 0.21 0.24 0.37 0.00 0.00 175.52 176.50 1dxr h MET 74 N 0.31 0.69 -0.43 6.66 2.86 -0.80 0.14 114.93 124.36 1dxr h MET 74 Ca 0.10 -0.09 -0.14 0.00 -2.06 0.00 0.00 59.70 57.51 1dxr h MET 74 Cb 0.21 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1dxr h MET 74 CO -0.01 0.55 -0.28 1.15 1.06 0.00 0.00 176.91 179.39 1dxr h THR 75 N 0.69 1.27 -0.20 2.22 2.02 -0.76 -1.41 112.91 116.74 1dxr h THR 75 Ca 0.17 -1.45 -0.05 0.00 0.77 0.00 0.00 66.41 65.86 1dxr h THR 75 Cb 0.11 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1dxr h THR 75 CO -0.02 0.49 -0.06 0.00 0.37 0.00 0.00 175.52 176.30 1dxr h ALA 76 N 0.88 0.28 -0.84 6.16 0.00 -0.15 -2.18 119.26 123.42 1dxr h ALA 76 Ca 0.09 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1dxr h ALA 76 Cb 0.85 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 1dxr h ALA 76 CO 0.08 0.07 0.50 0.82 0.00 0.00 0.00 179.25 180.71 1dxr h ILE 77 N 0.12 0.96 -0.41 0.00 2.04 -0.68 -1.09 117.51 118.45 1dxr h ILE 77 Ca 0.05 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 1dxr h ILE 77 Cb 0.52 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1dxr h ILE 77 CO 0.02 0.16 -0.14 0.74 0.00 0.00 0.00 178.15 178.93 1dxr h THR 78 N 0.86 1.26 -0.15 -0.27 2.02 -0.92 -1.35 112.91 114.36 1dxr h THR 78 Ca 0.39 -1.21 -0.14 0.00 0.77 0.00 0.00 66.41 66.22 1dxr h THR 78 Cb 0.29 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1dxr h THR 78 CO -0.22 0.41 -0.51 -0.08 0.37 0.00 0.00 175.52 175.50 1dxr h GLU 79 N 0.68 0.41 0.11 6.66 4.81 -0.77 0.14 114.58 126.63 1dxr h GLU 79 Ca 0.11 -0.24 -0.27 0.00 -0.13 0.00 0.00 59.36 58.83 1dxr h GLU 79 Cb 0.62 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 1dxr h GLU 79 CO 0.04 0.82 -1.22 -1.49 -0.73 0.00 0.00 179.01 176.44 1dxr h TRP 80 N 0.32 0.43 0.00 0.92 6.55 -0.94 -3.39 115.95 119.84 1dxr h TRP 80 Ca 0.01 -0.31 -0.19 0.00 0.95 0.00 0.00 58.89 59.35 1dxr h TRP 80 Cb 1.00 -0.02 -0.03 0.00 -0.86 0.00 0.00 29.16 29.26 1dxr h TRP 80 CO 0.03 1.25 -1.66 0.28 -1.05 0.00 0.00 178.44 177.29 1dxr n VAL 81 N -3.51 0.65 -3.03 1.49 0.31 -0.53 0.11 118.33 113.81 1dxr n VAL 81 Ca -0.07 -0.19 -0.17 0.00 -0.01 0.00 0.00 64.34 63.90 1dxr n VAL 81 Cb 1.01 -1.48 -0.02 0.00 -0.91 0.00 0.00 33.84 32.45 1dxr n VAL 81 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1dxr n SER 82 N -3.36 1.48 -0.15 4.52 3.41 -0.45 -0.66 113.62 118.42 1dxr n SER 82 Ca -0.23 -3.05 -0.04 0.00 -0.26 0.00 0.00 58.87 55.30 1dxr n SER 82 Cb 0.68 -0.59 0.15 0.00 -0.26 0.00 0.00 64.21 64.19 1dxr n SER 82 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1dxr h PRO 83 N 2.98 0.87 -0.06 4.33 0.13 -0.96 0.47 132.00 139.76 1dxr h PRO 83 Ca 0.07 -0.20 -0.14 0.00 -0.87 0.00 0.00 66.00 64.86 1dxr h PRO 83 Cb 0.96 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1dxr h PRO 83 CO 0.55 0.81 -0.58 0.37 -0.23 0.00 0.00 178.00 178.93 1dxr h GLN 84 N 0.83 0.20 0.01 0.86 5.75 -1.86 -3.30 115.11 117.61 1dxr h GLN 84 Ca 0.17 -0.13 -0.31 0.00 -0.15 0.00 0.00 58.65 58.23 1dxr h GLN 84 Cb 0.37 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.88 1dxr h GLN 84 CO 0.01 0.72 -1.84 0.39 -2.65 0.00 0.00 178.83 175.46 1dxr n GLU 85 N -3.89 0.65 0.00 1.69 4.71 -1.06 -5.07 120.64 117.66 1dxr n GLU 85 Ca -0.02 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.38 1dxr n GLU 85 Cb 0.59 -1.75 0.00 0.00 -1.01 0.00 0.00 31.44 29.28 1dxr n GLU 85 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1dxr n GLY 86 N 1.63 -2.43 0.35 0.62 0.00 0.13 -4.34 105.19 101.14 1dxr n GLY 86 Ca -0.21 -1.69 0.14 0.00 0.00 0.00 0.00 46.02 44.26 1dxr n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxr n THR 88 N -4.45 0.18 -0.24 0.00 -2.24 -1.26 -2.16 114.28 104.10 1dxr n THR 88 Ca 0.08 0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.95 1dxr n THR 88 Cb 0.39 -0.68 0.29 0.00 -2.10 0.00 0.00 70.33 68.24 1dxr n THR 88 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1dxr h TYR 89 N 0.00 0.92 0.00 4.78 3.20 -1.55 -3.26 116.97 121.06 1dxr h TYR 89 Ca 0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 1dxr h TYR 89 Cb 0.13 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1dxr h TYR 89 CO 0.00 0.49 -1.54 0.00 -1.64 0.00 0.00 178.16 175.47 1dxr s HIS 91 N -2.56 3.14 -0.03 0.00 3.76 -0.92 -4.25 115.29 114.43 1dxr s HIS 91 Ca -0.04 0.16 -0.30 0.00 -0.15 0.00 0.00 55.06 54.72 1dxr s HIS 91 Cb 0.05 -1.75 -0.05 0.00 1.11 0.00 0.00 32.58 31.94 1dxr s HIS 91 CO 0.42 0.47 1.51 0.34 -0.85 0.00 0.00 174.74 176.63 1dxr s ASP 92 N -1.15 6.76 0.44 1.40 -1.08 -1.25 -4.45 116.67 117.34 1dxr s ASP 92 Ca 0.16 2.15 0.18 0.00 -0.52 0.00 0.00 52.55 54.52 1dxr s ASP 92 Cb -0.11 -2.55 1.12 0.00 -1.46 0.00 0.00 42.92 39.92 1dxr s ASP 92 CO 0.06 -0.82 1.91 -0.33 0.52 0.00 0.00 175.17 176.51 1dxr h GLU 93 N 8.57 0.33 0.00 4.34 5.08 -1.95 -1.87 114.58 129.08 1dxr h GLU 93 Ca -0.37 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1dxr h GLU 93 Cb 1.17 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1dxr h GLU 93 CO 0.93 0.22 -1.06 0.09 -1.00 0.00 0.00 179.01 178.19 1dxr n ASN 94 N -4.46 0.71 -3.50 1.42 4.13 -1.26 -4.72 115.26 107.58 1dxr n ASN 94 Ca 0.15 -0.57 -0.24 0.00 1.68 0.00 0.00 54.58 55.60 1dxr n ASN 94 Cb 0.60 0.97 -0.13 0.00 -1.54 0.00 0.00 39.78 39.67 1dxr n ASN 94 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1dxr s ASN 95 N -3.43 2.72 0.00 6.41 2.47 -0.70 -5.01 114.94 117.40 1dxr s ASN 95 Ca 0.05 -1.00 0.26 0.00 0.42 0.00 0.00 52.86 52.59 1dxr s ASN 95 Cb 0.16 -0.02 1.15 0.00 -1.45 0.00 0.00 41.25 41.08 1dxr s ASN 95 CO 0.83 -0.41 1.84 0.18 -3.72 0.00 0.00 177.10 175.83 1dxr n LEU 96 N 5.28 0.00 -0.26 3.21 4.77 -1.24 -1.53 117.00 127.23 1dxr n LEU 96 Ca -0.05 0.46 0.12 0.00 -0.03 0.00 0.00 56.01 56.52 1dxr n LEU 96 Cb 0.44 -0.46 0.22 0.00 -2.33 0.00 0.00 43.42 41.29 1dxr n LEU 96 CO 0.04 -0.05 0.48 0.00 -1.33 0.00 0.00 177.39 176.53 1dxr n ALA 97 N -1.46 3.39 -1.88 -1.18 0.00 -1.26 -4.91 120.51 113.21 1dxr n ALA 97 Ca 0.07 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1dxr n ALA 97 Cb 0.29 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 1dxr n ALA 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dxr s SER 98 N -2.59 6.59 -0.28 0.00 0.15 -0.58 -4.87 113.70 112.12 1dxr s SER 98 Ca 0.20 2.70 0.12 0.00 0.70 0.00 0.00 55.95 59.66 1dxr s SER 98 Cb 0.18 -2.62 0.75 0.00 -1.71 0.00 0.00 66.02 62.63 1dxr s SER 98 CO 0.58 -0.77 1.74 -0.62 1.20 0.00 0.00 173.24 175.37 1dxr n GLU 99 N 2.80 4.02 -0.05 5.44 1.02 -1.26 -4.62 120.64 127.99 1dxr n GLU 99 Ca 0.09 -3.10 -0.09 0.00 -0.02 0.00 0.00 57.16 54.04 1dxr n GLU 99 Cb 0.39 -2.19 0.07 0.00 -0.02 0.00 0.00 31.44 29.69 1dxr n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dxr h ALA 100 N 3.00 0.78 -2.76 0.62 0.00 -1.90 -3.43 119.26 115.58 1dxr h ALA 100 Ca 0.15 -0.44 -0.57 0.00 0.00 0.00 0.00 54.91 54.05 1dxr h ALA 100 Cb 2.11 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.73 1dxr h ALA 100 CO 0.59 0.65 -0.01 0.15 0.00 0.00 0.00 179.25 180.63 1dxr s LYS 101 N -4.33 4.35 0.47 0.00 1.02 -1.26 -4.98 119.74 115.01 1dxr s LYS 101 Ca -0.09 0.72 0.14 0.00 0.02 0.00 0.00 55.97 56.77 1dxr s LYS 101 Cb 0.12 -3.38 1.10 0.00 -0.52 0.00 0.00 37.83 35.15 1dxr s LYS 101 CO 0.84 0.26 2.05 0.10 -0.92 0.00 0.00 175.35 177.68 1dxr h TYR 102 N 6.09 0.27 0.00 3.18 -0.00 -1.90 -0.96 116.97 123.66 1dxr h TYR 102 Ca -0.43 0.01 -0.00 0.00 0.00 0.00 0.00 58.73 58.30 1dxr h TYR 102 Cb 1.20 -0.09 -0.00 0.00 0.00 0.00 0.00 36.73 37.84 1dxr h TYR 102 CO 0.65 0.15 -0.00 -1.35 -0.00 0.00 0.00 178.16 177.61 1dxr h PRO 103 N 0.27 0.00 0.16 0.10 0.11 -1.89 -0.83 132.00 129.92 1dxr h PRO 103 Ca 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1dxr h PRO 103 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1dxr h PRO 103 CO -0.03 0.00 -0.08 -0.92 -0.21 0.00 0.00 178.00 176.76 1dxr h TYR 104 N 0.00 -0.20 -0.16 0.65 5.03 -1.34 0.25 116.97 121.20 1dxr h TYR 104 Ca -0.00 -0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.14 1dxr h TYR 104 Cb 0.00 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.34 1dxr h TYR 104 CO 0.00 0.12 -0.58 -0.39 -1.32 0.00 0.00 178.16 175.99 1dxr h VAL 105 N -0.53 1.33 -0.79 1.81 -1.51 -1.31 -1.53 116.25 113.72 1dxr h VAL 105 Ca -0.02 -1.86 -0.03 0.00 -1.23 0.00 0.00 66.70 63.55 1dxr h VAL 105 Cb 0.41 1.84 -0.04 0.00 -2.13 0.00 0.00 31.29 31.38 1dxr h VAL 105 CO 0.04 0.57 0.37 0.58 -1.23 0.00 0.00 177.57 177.89 1dxr h VAL 106 N 0.38 1.25 -0.30 7.19 2.07 -1.13 -2.23 116.25 123.48 1dxr h VAL 106 Ca -0.00 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 1dxr h VAL 106 Cb 1.13 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1dxr h VAL 106 CO 0.11 0.31 -0.07 0.00 0.02 0.00 0.00 177.57 177.94 1dxr h ALA 107 N 1.19 1.32 -0.47 1.67 0.00 -0.01 -0.49 119.26 122.48 1dxr h ALA 107 Ca 0.27 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1dxr h ALA 107 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1dxr h ALA 107 CO -0.03 0.46 0.08 -0.09 0.00 0.00 0.00 179.25 179.67 1dxr h ARG 108 N 0.46 0.77 -0.44 0.00 2.43 -0.70 -0.78 114.38 116.11 1dxr h ARG 108 Ca 0.09 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1dxr h ARG 108 Cb 0.41 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1dxr h ARG 108 CO 0.02 0.78 0.20 -0.09 -1.51 0.00 0.00 179.97 179.37 1dxr h ARG 109 N 0.64 0.62 0.00 0.20 9.65 -1.03 -2.42 114.38 122.04 1dxr h ARG 109 Ca 0.14 -0.07 -0.14 0.00 -1.10 0.00 0.00 59.98 58.81 1dxr h ARG 109 Cb 0.38 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.82 1dxr h ARG 109 CO 0.01 0.50 -0.66 0.52 2.80 0.00 0.00 179.97 183.14 1dxr h MET 110 N 0.62 0.00 -0.57 0.20 2.86 -0.73 0.14 114.93 117.46 1dxr h MET 110 Ca 0.16 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1dxr h MET 110 Cb 0.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1dxr h MET 110 CO -0.02 0.66 0.06 -0.07 1.06 0.00 0.00 176.91 178.60 1dxr h LEU 111 N 0.00 0.93 -0.01 1.22 3.38 -0.68 -0.36 115.31 119.79 1dxr h LEU 111 Ca -0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1dxr h LEU 111 Cb 1.21 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1dxr h LEU 111 CO 0.09 0.97 0.00 -0.33 0.09 0.00 0.00 178.44 179.26 1dxr h GLU 112 N 0.85 0.02 -0.60 1.13 5.08 -1.26 -0.88 114.58 118.92 1dxr h GLU 112 Ca 0.17 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 1dxr h GLU 112 Cb 0.46 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 1dxr h GLU 112 CO 0.02 0.24 0.30 1.98 -1.00 0.00 0.00 179.01 180.55 1dxr h MET 113 N -0.21 0.55 -0.51 2.33 4.05 -0.97 0.97 114.93 121.13 1dxr h MET 113 Ca 0.00 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 1dxr h MET 113 Cb 0.23 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 1dxr h MET 113 CO 0.00 0.36 0.11 1.15 0.23 0.00 0.00 176.91 178.76 1dxr h THR 114 N 0.56 1.24 0.00 -0.77 2.02 -0.97 -0.28 112.91 114.71 1dxr h THR 114 Ca 0.28 -0.88 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 1dxr h THR 114 Cb 0.22 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1dxr h THR 114 CO -0.20 0.32 -0.23 0.03 0.37 0.00 0.00 175.52 175.80 1dxr h ARG 115 N 0.71 0.00 -0.13 6.66 3.08 -0.73 -2.28 114.38 121.70 1dxr h ARG 115 Ca 0.16 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 1dxr h ARG 115 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1dxr h ARG 115 CO 0.00 0.23 -0.36 0.00 -1.07 0.00 0.00 179.97 178.77 1dxr h ALA 116 N 1.77 0.21 -0.51 0.04 0.00 0.06 -1.21 119.26 119.63 1dxr h ALA 116 Ca -0.00 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1dxr h ALA 116 Cb 0.57 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1dxr h ALA 116 CO 0.03 0.29 0.33 0.82 0.00 0.00 0.00 179.25 180.72 1dxr h ILE 117 N 0.06 1.12 0.00 0.00 2.04 -0.68 0.43 117.51 120.49 1dxr h ILE 117 Ca -0.01 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1dxr h ILE 117 Cb 0.98 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1dxr h ILE 117 CO 0.08 0.12 -0.14 0.78 0.00 0.00 0.00 178.15 178.99 1dxr h ASN 118 N 0.68 0.00 0.02 1.72 2.35 -1.37 -1.58 115.58 117.40 1dxr h ASN 118 Ca 0.19 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.55 1dxr h ASN 118 Cb -0.07 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.25 1dxr h ASN 118 CO -0.05 0.14 -2.29 0.41 -1.65 0.00 0.00 177.43 174.00 1dxr n THR 119 N -3.19 1.56 0.77 2.81 -1.04 -0.46 -4.04 114.28 110.69 1dxr n THR 119 Ca 0.02 -0.48 0.08 0.00 -2.04 0.00 0.00 64.05 61.63 1dxr n THR 119 Cb 0.49 -1.67 -0.09 0.00 -1.82 0.00 0.00 70.33 67.24 1dxr n THR 119 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1dxr n ASN 120 N -3.70 0.81 -2.19 8.00 3.02 0.15 -4.38 115.26 116.97 1dxr n ASN 120 Ca -0.45 -0.90 -0.20 0.00 -0.03 0.00 0.00 54.58 53.00 1dxr n ASN 120 Cb 0.94 0.98 0.02 0.00 -0.61 0.00 0.00 39.78 41.11 1dxr n ASN 120 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1dxr n TRP 121 N -1.34 2.53 0.28 3.10 7.02 -0.59 -4.79 117.44 123.65 1dxr n TRP 121 Ca 0.03 -2.26 0.17 0.00 -1.02 0.00 0.00 57.50 54.42 1dxr n TRP 121 Cb 0.26 -0.31 0.78 0.00 -2.42 0.00 0.00 31.31 29.62 1dxr n TRP 121 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 1dxr h THR 122 N 2.77 0.13 0.00 -0.99 1.35 -1.77 -0.21 112.91 114.20 1dxr h THR 122 Ca 0.28 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1dxr h THR 122 Cb 1.46 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1dxr h THR 122 CO 0.67 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 175.98 1dxr n GLN 123 N -3.19 0.17 -0.09 4.72 1.13 -1.26 -0.28 117.38 118.58 1dxr n GLN 123 Ca -0.01 0.39 -0.12 0.00 -1.94 0.00 0.00 57.00 55.32 1dxr n GLN 123 Cb 0.26 -1.82 -0.04 0.00 0.11 0.00 0.00 30.24 28.75 1dxr n GLN 123 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1dxr n HIS 124 N -2.14 0.00 1.02 1.08 -0.00 -0.21 -4.74 115.22 110.22 1dxr n HIS 124 Ca 0.02 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.33 1dxr n HIS 124 Cb 0.23 -0.56 0.44 0.00 -0.12 0.00 0.00 29.99 29.98 1dxr n HIS 124 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 1dxr n VAL 125 N -4.35 0.00 -0.25 3.57 0.24 -0.50 -4.97 118.33 112.07 1dxr n VAL 125 Ca -0.21 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1dxr n VAL 125 Cb 0.56 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 1dxr n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dxr n ALA 126 N -1.47 0.00 -0.06 2.33 0.00 0.62 -1.79 120.51 120.14 1dxr n ALA 126 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.61 1dxr n ALA 126 Cb 0.33 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.01 1dxr n ALA 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1dxr n GLN 127 N 14.00 2.55 -0.04 0.00 3.00 -1.26 -4.16 117.38 131.46 1dxr n GLN 127 Ca 0.00 -2.30 -0.15 0.00 -0.01 0.00 0.00 57.00 54.54 1dxr n GLN 127 Cb 0.00 -1.46 -0.12 0.00 0.00 0.00 0.00 30.24 28.66 1dxr n GLN 127 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1dxr h THR 128 N 3.66 1.65 -1.29 5.09 2.02 -1.73 -3.45 112.91 118.86 1dxr h THR 128 Ca 0.00 -2.07 0.15 0.00 0.77 0.00 0.00 66.41 65.26 1dxr h THR 128 Cb 0.89 3.03 -0.05 0.00 -1.74 0.00 0.00 68.15 70.28 1dxr h THR 128 CO 0.00 0.55 -0.29 0.61 0.37 0.00 0.00 175.52 176.76 1dxr n GLY 129 N 1.25 -1.91 3.29 2.16 0.00 -0.74 -4.30 105.19 104.95 1dxr n GLY 129 Ca -0.10 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 1dxr n GLY 129 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dxr s VAL 130 N -2.04 1.62 0.48 1.61 -7.23 -1.26 -4.92 120.40 108.66 1dxr s VAL 130 Ca 0.00 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.44 1dxr s VAL 130 Cb 0.00 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 1dxr s VAL 130 CO 0.00 -0.29 0.01 0.42 -0.31 0.00 0.00 175.10 174.93 1dxr s THR 131 N -1.85 1.31 0.51 5.32 -4.23 -1.26 -4.93 115.64 110.50 1dxr s THR 131 Ca 0.11 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.85 1dxr s THR 131 Cb -0.07 -2.36 0.39 0.00 1.34 0.00 0.00 72.50 71.80 1dxr s THR 131 CO 0.05 0.00 1.98 0.00 -0.54 0.00 0.00 174.62 176.10 1dxr h TYR 133 N 0.10 0.52 -0.82 0.00 3.20 -1.95 -1.51 116.97 116.50 1dxr h TYR 133 Ca 0.28 -0.10 0.20 0.00 3.14 0.00 0.00 58.73 62.25 1dxr h TYR 133 Cb 0.99 -0.13 -0.12 0.00 1.54 0.00 0.00 36.73 39.01 1dxr h TYR 133 CO -0.00 0.65 0.26 1.15 -1.64 0.00 0.00 178.16 178.58 1dxr h THR 134 N 0.42 0.46 0.00 1.81 2.02 -1.77 -0.69 112.91 115.16 1dxr h THR 134 Ca 0.07 -0.10 -0.25 0.00 0.77 0.00 0.00 66.41 66.89 1dxr h THR 134 Cb 0.61 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1dxr h THR 134 CO 0.04 0.06 -1.40 0.00 0.37 0.00 0.00 175.52 174.58 1dxr h HIS 136 N -1.00 0.58 -6.43 0.00 -0.00 -1.16 -3.36 115.15 103.78 1dxr h HIS 136 Ca -0.38 -0.18 -0.50 0.00 -0.00 0.00 0.00 60.37 59.32 1dxr h HIS 136 Cb 1.30 -0.12 -0.08 0.00 -0.00 0.00 0.00 27.41 28.51 1dxr h HIS 136 CO 0.04 0.85 -0.79 0.54 -0.00 0.00 0.00 177.93 178.58 1dxr n ARG 137 N -4.00 -4.72 -0.69 2.45 5.12 -0.28 -2.27 116.66 112.27 1dxr n ARG 137 Ca -0.02 0.53 0.00 0.00 -1.93 0.00 0.00 57.85 56.42 1dxr n ARG 137 Cb 0.54 -5.32 0.00 0.00 -1.16 0.00 0.00 32.46 26.52 1dxr n ARG 137 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1dxr n GLY 138 N -1.62 0.75 3.20 -0.13 0.00 0.12 -5.02 105.19 102.48 1dxr n GLY 138 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1dxr n GLY 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dxr s THR 139 N -2.66 1.27 0.21 2.61 -4.23 -0.96 -4.28 115.64 107.59 1dxr s THR 139 Ca 0.00 -1.32 -0.09 0.00 -1.18 0.00 0.00 61.69 59.10 1dxr s THR 139 Cb 0.00 -1.18 0.14 0.00 1.34 0.00 0.00 72.50 72.80 1dxr s THR 139 CO 0.00 -0.14 1.81 -0.65 -0.54 0.00 0.00 174.62 175.10 1dxr h PRO 140 N 4.34 0.67 -5.81 3.99 0.11 -1.19 -3.38 132.00 130.74 1dxr h PRO 140 Ca -0.42 -0.04 -0.60 0.00 0.11 0.00 0.00 66.00 65.05 1dxr h PRO 140 Cb 1.19 -0.15 -0.09 0.00 0.11 0.00 0.00 31.00 32.05 1dxr h PRO 140 CO 0.41 0.44 0.45 -1.17 -0.21 0.00 0.00 178.00 177.92 1dxr s LEU 141 N -10.25 4.07 0.44 2.35 2.96 -1.26 -5.01 118.68 111.98 1dxr s LEU 141 Ca -0.13 0.81 -0.25 0.00 -0.22 0.00 0.00 54.13 54.34 1dxr s LEU 141 Cb 0.16 -3.14 -0.08 0.00 0.50 0.00 0.00 46.19 43.63 1dxr s LEU 141 CO 0.76 -0.60 1.30 -2.84 -1.32 0.00 0.00 176.35 173.65 1dxr s PRO 142 N 2.97 3.78 0.46 0.98 0.02 -1.26 -4.91 135.00 137.03 1dxr s PRO 142 Ca 0.34 2.12 0.13 0.00 0.02 0.00 0.00 61.00 63.61 1dxr s PRO 142 Cb -0.14 -2.61 1.04 0.00 0.02 0.00 0.00 34.50 32.80 1dxr s PRO 142 CO 0.11 -0.64 2.03 -1.00 -0.33 0.00 0.00 177.00 177.18 1dxr h PRO 143 N 2.35 0.09 -4.05 5.54 0.13 -1.77 -3.39 132.00 130.90 1dxr h PRO 143 Ca -0.50 -0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 63.99 1dxr h PRO 143 Cb 1.26 -0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.97 1dxr h PRO 143 CO 0.61 0.17 -0.72 0.71 -0.23 0.00 0.00 178.00 178.55 1dxr s TYR 144 N -4.87 3.00 0.31 1.56 2.02 -1.26 -1.39 117.35 116.71 1dxr s TYR 144 Ca -0.05 -2.66 0.04 0.00 -0.37 0.00 0.00 57.07 54.03 1dxr s TYR 144 Cb 0.16 -2.51 -0.06 0.00 -0.40 0.00 0.00 41.96 39.15 1dxr s TYR 144 CO 0.70 -0.89 0.03 0.14 -1.57 0.00 0.00 175.55 173.96 1dxr s VAL 145 N 0.86 1.26 -0.04 0.71 -7.23 -1.26 -4.03 120.40 110.66 1dxr s VAL 145 Ca 0.12 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 1dxr s VAL 145 Cb -0.20 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.05 1dxr s VAL 145 CO -0.10 -0.09 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.86 1dxr s ARG 146 N -3.86 1.46 0.30 4.82 6.06 0.28 -4.92 118.95 123.09 1dxr s ARG 146 Ca 0.34 -0.46 0.03 0.00 -2.50 0.00 0.00 55.73 53.14 1dxr s ARG 146 Cb 0.08 -1.28 0.05 0.00 0.06 0.00 0.00 34.95 33.85 1dxr s ARG 146 CO 0.14 0.16 0.41 0.66 -2.50 0.00 0.00 175.30 174.17 1dxr n TYR 147 N 3.31 -2.82 1.47 5.12 4.01 -1.26 -0.59 117.16 126.40 1dxr n TYR 147 Ca -0.19 -0.96 0.04 0.00 -0.16 0.00 0.00 57.90 56.63 1dxr n TYR 147 Cb 0.53 -0.29 0.14 0.00 -0.31 0.00 0.00 39.34 39.41 1dxr n TYR 147 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1dxr n LEU 148 N 0.00 0.91 -4.03 7.72 4.77 -1.26 -4.65 117.00 120.47 1dxr n LEU 148 Ca 0.08 -0.45 -0.09 0.00 -0.03 0.00 0.00 56.01 55.52 1dxr n LEU 148 Cb 0.28 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.16 1dxr n LEU 148 CO 0.19 0.22 -0.37 -1.83 -1.33 0.00 0.00 177.39 174.27 1dxr s GLU 149 N -1.79 0.44 0.28 3.23 -1.05 -1.26 -4.90 118.70 113.65 1dxr s GLU 149 Ca 0.15 -0.82 -0.29 0.00 -0.15 0.00 0.00 54.97 53.85 1dxr s GLU 149 Cb 0.08 0.08 -0.10 0.00 -0.44 0.00 0.00 34.13 33.74 1dxr s GLU 149 CO 0.11 -0.05 1.36 -1.25 0.95 0.00 0.00 175.26 176.38 1dxr s PRO 150 N -2.23 4.32 0.21 -4.83 0.04 -1.26 -5.02 135.00 126.22 1dxr s PRO 150 Ca -0.08 2.24 0.09 0.00 0.04 0.00 0.00 61.00 63.29 1dxr s PRO 150 Cb -0.05 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 1dxr s PRO 150 CO -0.03 -0.29 -0.18 0.95 0.04 0.00 0.00 177.00 177.49 1dxr s THR 151 N -0.54 1.96 0.03 1.26 -4.23 -1.26 -4.89 115.64 107.97 1dxr s THR 151 Ca 0.54 -2.13 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1dxr s THR 151 Cb -0.40 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.39 1dxr s THR 151 CO 0.47 -0.42 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.86 1dxr s LEU 152 N -3.08 2.25 0.80 4.79 2.96 -1.26 -4.42 118.68 120.72 1dxr s LEU 152 Ca 0.21 -0.52 -0.12 0.00 -0.22 0.00 0.00 54.13 53.48 1dxr s LEU 152 Cb -0.04 -0.00 0.08 0.00 0.50 0.00 0.00 46.19 46.73 1dxr s LEU 152 CO 0.09 -0.26 1.15 -2.84 -1.32 0.00 0.00 176.35 173.16 1dxr s PRO 153 N -1.51 1.79 0.21 0.98 0.02 -1.26 -4.68 135.00 130.54 1dxr s PRO 153 Ca -0.14 1.53 -0.10 0.00 0.02 0.00 0.00 61.00 62.31 1dxr s PRO 153 Cb -0.10 -1.82 0.16 0.00 0.02 0.00 0.00 34.50 32.77 1dxr s PRO 153 CO -0.00 -2.05 1.88 -0.07 -0.33 0.00 0.00 177.00 176.42 1dxr h LEU 154 N -1.04 0.85 -8.86 -5.54 3.38 -1.94 -3.36 115.31 98.80 1dxr h LEU 154 Ca -0.45 -0.02 -0.61 0.00 0.09 0.00 0.00 57.88 56.89 1dxr h LEU 154 Cb 1.27 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.70 1dxr h LEU 154 CO 0.47 0.62 0.39 0.21 0.09 0.00 0.00 178.44 180.22 1dxr s ASN 155 N -5.87 6.61 0.00 -0.43 3.84 -1.26 -4.50 114.94 113.33 1dxr s ASN 155 Ca -0.13 0.52 0.29 0.00 0.21 0.00 0.00 52.86 53.75 1dxr s ASN 155 Cb 0.15 -2.40 1.63 0.00 -0.55 0.00 0.00 41.25 40.07 1dxr s ASN 155 CO 0.78 -0.67 2.04 -0.46 -2.79 0.00 0.00 177.10 176.00 1dxr n ASN 156 N 6.32 0.00 0.07 -4.21 0.23 -0.49 -1.70 115.26 115.48 1dxr n ASN 156 Ca 0.03 -0.63 0.12 0.00 -0.53 0.00 0.00 54.58 53.58 1dxr n ASN 156 Cb 0.48 -0.10 0.46 0.00 -2.08 0.00 0.00 39.78 38.54 1dxr n ASN 156 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1dxr n ARG 157 N -1.10 0.15 -3.41 -3.83 1.74 -1.26 -4.80 116.66 104.15 1dxr n ARG 157 Ca 0.19 0.22 -0.31 0.00 -0.77 0.00 0.00 57.85 57.18 1dxr n ARG 157 Cb 0.14 -1.71 -0.05 0.00 -1.02 0.00 0.00 32.46 29.82 1dxr n ARG 157 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1dxr s GLU 158 N -3.12 3.75 -0.16 5.56 2.02 -0.69 -5.06 118.70 121.01 1dxr s GLU 158 Ca 0.09 0.20 -0.19 0.00 0.02 0.00 0.00 54.97 55.09 1dxr s GLU 158 Cb 0.13 -2.66 -0.04 0.00 0.10 0.00 0.00 34.13 31.66 1dxr s GLU 158 CO 0.49 0.30 0.52 0.99 0.02 0.00 0.00 175.26 177.58 1dxr s THR 159 N -1.86 5.13 0.41 3.63 2.01 -1.26 -4.72 115.64 118.97 1dxr s THR 159 Ca 0.46 1.00 -0.25 0.00 0.31 0.00 0.00 61.69 63.22 1dxr s THR 159 Cb -0.11 -3.85 -0.08 0.00 0.01 0.00 0.00 72.50 68.46 1dxr s THR 159 CO 0.23 0.24 1.15 -2.16 -0.69 0.00 0.00 174.62 173.39 1dxr s PRO 160 N 1.20 4.03 1.07 4.92 0.04 -1.26 -4.88 135.00 140.12 1dxr s PRO 160 Ca 0.26 1.78 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 1dxr s PRO 160 Cb -0.15 -2.62 0.22 0.00 0.04 0.00 0.00 34.50 31.99 1dxr s PRO 160 CO 0.10 -0.32 1.14 0.95 0.04 0.00 0.00 177.00 178.91 1dxr s THR 161 N -1.46 1.83 0.10 1.26 -4.23 -1.26 -4.92 115.64 106.95 1dxr s THR 161 Ca 0.58 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.91 1dxr s THR 161 Cb -0.29 -2.60 -0.06 0.00 1.34 0.00 0.00 72.50 70.89 1dxr s THR 161 CO 0.37 0.00 1.55 -0.74 -0.54 0.00 0.00 174.62 175.25 1dxr h HIS 162 N -2.10 0.55 -0.36 3.99 2.76 -1.96 -2.69 115.15 115.34 1dxr h HIS 162 Ca -0.49 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 57.58 1dxr h HIS 162 Cb 1.30 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 30.10 1dxr h HIS 162 CO -0.93 0.63 0.14 0.28 -1.30 0.00 0.00 177.93 176.75 1dxr h VAL 163 N 0.31 1.14 0.00 5.26 2.07 -1.93 -1.62 116.25 121.48 1dxr h VAL 163 Ca 0.09 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1dxr h VAL 163 Cb 0.40 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1dxr h VAL 163 CO 0.01 0.17 -0.22 -0.33 0.02 0.00 0.00 177.57 177.23 1dxr h GLU 164 N 0.51 0.00 -6.82 1.57 5.08 -1.86 -3.35 114.58 109.71 1dxr h GLU 164 Ca 0.13 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.96 1dxr h GLU 164 Cb 0.12 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.44 1dxr h GLU 164 CO -0.01 0.22 0.80 1.03 -1.00 0.00 0.00 179.01 180.05 1dxr s ARG 165 N -3.90 4.19 0.60 2.33 0.52 -0.61 -4.08 118.95 118.00 1dxr s ARG 165 Ca -0.01 2.45 0.38 0.00 -0.52 0.00 0.00 55.73 58.03 1dxr s ARG 165 Cb 0.12 -3.05 1.89 0.00 0.52 0.00 0.00 34.95 34.43 1dxr s ARG 165 CO 0.63 -0.50 2.19 -0.24 0.02 0.00 0.00 175.30 177.40 1dxr h VAL 166 N 3.33 0.11 0.00 3.52 3.04 -1.86 0.14 116.25 124.52 1dxr h VAL 166 Ca -0.48 -0.27 -0.12 0.00 -1.01 0.00 0.00 66.70 64.83 1dxr h VAL 166 Cb 1.22 1.24 -0.02 0.00 -2.01 0.00 0.00 31.29 31.72 1dxr h VAL 166 CO 0.75 0.02 -0.57 -0.33 -1.01 0.00 0.00 177.57 176.43 1dxr h GLU 167 N 0.00 0.00 -6.28 4.17 3.07 -1.91 -3.41 114.58 110.22 1dxr h GLU 167 Ca -0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.33 1dxr h GLU 167 Cb 0.24 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.08 1dxr h GLU 167 CO 0.00 0.57 1.14 0.99 -1.40 0.00 0.00 179.01 180.30 1dxr s THR 168 N -3.42 3.65 0.48 1.13 2.01 0.48 -4.88 115.64 115.09 1dxr s THR 168 Ca 0.00 0.41 0.13 0.00 0.31 0.00 0.00 61.69 62.54 1dxr s THR 168 Cb 0.11 -4.61 0.27 0.00 0.01 0.00 0.00 72.50 68.28 1dxr s THR 168 CO 0.74 -1.51 2.11 0.03 -0.69 0.00 0.00 174.62 175.30 1dxr h ARG 169 N 11.37 0.20 0.00 4.92 -0.00 -1.84 -2.22 114.38 126.81 1dxr h ARG 169 Ca -0.27 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.20 1dxr h ARG 169 Cb 1.08 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.01 1dxr h ARG 169 CO 1.25 0.13 0.00 -1.13 0.00 0.00 0.00 179.97 180.22 1dxr n SER 170 N -4.51 0.48 -0.99 7.04 3.41 -1.26 -2.52 113.62 115.27 1dxr n SER 170 Ca -0.01 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 1dxr n SER 170 Cb 0.08 -0.71 0.27 0.00 -0.26 0.00 0.00 64.21 63.59 1dxr n SER 170 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dxr n GLY 171 N 0.35 1.39 0.09 5.00 0.00 -0.83 -4.55 105.19 106.64 1dxr n GLY 171 Ca 0.03 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 1dxr n GLY 171 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1dxr h TYR 172 N 3.62 0.14 -0.07 1.61 3.20 -1.62 -1.40 116.97 122.45 1dxr h TYR 172 Ca 0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1dxr h TYR 172 Cb 0.81 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 1dxr h TYR 172 CO 0.26 0.08 -0.08 0.28 -1.64 0.00 0.00 178.16 177.06 1dxr h VAL 173 N 0.16 1.10 0.09 1.81 2.07 -1.84 -1.36 116.25 118.28 1dxr h VAL 173 Ca 0.06 -0.45 -0.25 0.00 0.82 0.00 0.00 66.70 66.88 1dxr h VAL 173 Cb 0.01 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1dxr h VAL 173 CO -0.04 0.14 -1.14 0.58 0.02 0.00 0.00 177.57 177.12 1dxr h VAL 174 N 0.10 1.53 -0.67 2.57 2.07 -1.79 -0.33 116.25 119.74 1dxr h VAL 174 Ca 0.02 -3.05 -0.05 0.00 0.82 0.00 0.00 66.70 64.44 1dxr h VAL 174 Cb 0.21 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.80 1dxr h VAL 174 CO 0.01 0.89 0.22 0.03 0.02 0.00 0.00 177.57 178.74 1dxr h ARG 175 N 0.07 1.02 -0.07 1.57 3.08 -0.40 -0.86 114.38 118.80 1dxr h ARG 175 Ca -0.10 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 1dxr h ARG 175 Cb 1.87 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.76 1dxr h ARG 175 CO 0.18 0.87 -0.08 1.25 -1.07 0.00 0.00 179.97 181.12 1dxr h LEU 176 N 0.99 0.18 -0.98 3.04 5.85 -1.23 -3.11 115.31 120.06 1dxr h LEU 176 Ca 0.22 -0.50 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1dxr h LEU 176 Cb 0.26 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1dxr h LEU 176 CO -0.01 0.64 0.63 0.00 -0.34 0.00 0.00 178.44 179.36 1dxr h ALA 177 N 0.55 1.32 0.00 1.25 0.00 -0.81 -1.21 119.26 120.36 1dxr h ALA 177 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1dxr h ALA 177 Cb 0.59 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1dxr h ALA 177 CO 0.02 0.47 0.00 1.63 0.00 0.00 0.00 179.25 181.36 1dxr n LYS 178 N -4.50 0.18 0.06 0.00 5.02 -0.35 0.34 118.16 118.92 1dxr n LYS 178 Ca 0.14 0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.58 1dxr n LYS 178 Cb 0.14 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 33.77 1dxr n LYS 178 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1dxr h TYR 179 N 0.00 0.00 -1.13 2.13 3.20 -1.16 -3.37 116.97 116.64 1dxr h TYR 179 Ca 0.00 0.00 -0.58 0.00 3.14 0.00 0.00 58.73 61.29 1dxr h TYR 179 Cb 0.38 0.00 -0.42 0.00 1.54 0.00 0.00 36.73 38.23 1dxr h TYR 179 CO 0.00 0.00 -0.66 0.25 -1.64 0.00 0.00 178.16 176.11 1dxr n THR 180 N -2.16 2.53 -3.74 1.81 -2.24 -0.74 -4.40 114.28 105.34 1dxr n THR 180 Ca 0.03 -4.49 -0.29 0.00 -2.27 0.00 0.00 64.05 57.03 1dxr n THR 180 Cb 0.45 -1.20 0.01 0.00 -2.10 0.00 0.00 70.33 67.49 1dxr n THR 180 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dxr n ALA 181 N -0.61 -1.18 -1.03 6.98 0.00 -1.19 -1.42 120.51 122.04 1dxr n ALA 181 Ca 0.43 0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.99 1dxr n ALA 181 Cb 0.80 -3.78 -0.00 0.00 0.00 0.00 0.00 19.45 16.47 1dxr n ALA 181 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1dxr n TYR 182 N -4.40 0.00 -1.44 0.00 4.02 0.15 -5.02 117.16 110.48 1dxr n TYR 182 Ca 0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.63 1dxr n TYR 182 Cb 0.53 -0.80 0.15 0.00 -0.02 0.00 0.00 39.34 39.20 1dxr n TYR 182 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1dxr s SER 183 N -2.15 3.24 -0.10 7.72 1.04 -0.51 -4.94 113.70 118.01 1dxr s SER 183 Ca 0.00 1.02 0.14 0.00 0.48 0.00 0.00 55.95 57.59 1dxr s SER 183 Cb 0.00 -1.62 0.59 0.00 0.10 0.00 0.00 66.02 65.09 1dxr s SER 183 CO 0.00 -2.72 1.46 0.00 0.98 0.00 0.00 173.24 172.96 1dxr n ALA 184 N -3.88 3.06 -1.90 5.32 0.00 -1.26 -4.36 120.51 117.48 1dxr n ALA 184 Ca 0.06 -1.29 -0.42 0.00 0.00 0.00 0.00 53.44 51.80 1dxr n ALA 184 Cb 0.59 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 1dxr n ALA 184 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1dxr s LEU 185 N -1.64 4.37 -0.32 0.00 1.43 -1.26 -4.84 118.68 116.43 1dxr s LEU 185 Ca 0.41 2.56 -0.02 0.00 -1.03 0.00 0.00 54.13 56.05 1dxr s LEU 185 Cb 0.27 -3.57 0.12 0.00 0.03 0.00 0.00 46.19 43.03 1dxr s LEU 185 CO 0.19 -0.88 2.39 -3.20 0.23 0.00 0.00 176.35 175.08 1dxr n ASN 186 N 5.11 6.32 -3.92 2.29 4.05 -1.26 -4.84 115.26 123.02 1dxr n ASN 186 Ca 0.15 -3.03 -0.11 0.00 0.45 0.00 0.00 54.58 52.05 1dxr n ASN 186 Cb 0.40 -1.15 -0.12 0.00 1.23 0.00 0.00 39.78 40.14 1dxr n ASN 186 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 1dxr s TYR 187 N -1.47 0.11 -0.43 1.20 1.51 -1.26 -5.09 117.35 111.91 1dxr s TYR 187 Ca 0.41 -0.22 -0.13 0.00 -1.01 0.00 0.00 57.07 56.12 1dxr s TYR 187 Cb 0.28 -0.09 0.05 0.00 -0.11 0.00 0.00 41.96 42.10 1dxr s TYR 187 CO -0.08 -0.12 0.31 0.34 -1.11 0.00 0.00 175.55 174.89 1dxr s ASP 188 N -0.80 5.94 0.18 2.29 2.15 -1.26 -4.95 116.67 120.23 1dxr s ASP 188 Ca -0.09 -1.21 0.24 0.00 0.43 0.00 0.00 52.55 51.93 1dxr s ASP 188 Cb -0.05 -2.10 0.91 0.00 -0.30 0.00 0.00 42.92 41.37 1dxr s ASP 188 CO -0.00 -0.53 1.74 -0.81 -0.17 0.00 0.00 175.17 175.40 1dxr n PRO 189 N 5.09 0.18 0.12 4.34 -0.04 -1.26 -2.42 135.00 141.02 1dxr n PRO 189 Ca -0.11 0.27 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 1dxr n PRO 189 Cb 0.45 -1.77 -0.08 0.00 -0.04 0.00 0.00 33.50 32.06 1dxr n PRO 189 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1dxr h PHE 190 N 0.00 -0.33 0.00 0.54 3.57 -1.96 -0.45 116.94 118.31 1dxr h PHE 190 Ca 0.00 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 1dxr h PHE 190 Cb 0.53 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1dxr h PHE 190 CO 0.00 0.03 -0.47 1.79 -2.23 0.00 0.00 178.31 177.43 1dxr h THR 191 N -0.81 1.00 -0.18 4.41 1.35 -1.88 0.50 112.91 117.30 1dxr h THR 191 Ca -0.04 -1.86 -0.21 0.00 -0.55 0.00 0.00 66.41 63.75 1dxr h THR 191 Cb 0.51 2.12 0.01 0.00 -1.73 0.00 0.00 68.15 69.06 1dxr h THR 191 CO 0.06 0.46 -0.71 0.24 -0.25 0.00 0.00 175.52 175.33 1dxr h MET 192 N 0.00 0.79 0.00 4.72 2.86 -1.52 -3.40 114.93 118.38 1dxr h MET 192 Ca -0.00 -0.61 -0.02 0.00 -2.06 0.00 0.00 59.70 57.00 1dxr h MET 192 Cb 1.08 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 1dxr h MET 192 CO 0.06 1.23 -1.08 1.19 1.06 0.00 0.00 176.91 179.37 1dxr n PHE 193 N -3.98 0.00 0.06 -0.22 3.72 -0.18 -4.34 117.46 112.52 1dxr n PHE 193 Ca -0.07 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.43 1dxr n PHE 193 Cb 0.71 -0.06 -0.15 0.00 -0.94 0.00 0.00 39.48 39.04 1dxr n PHE 193 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1dxr n LEU 194 N -2.33 0.07 0.12 4.37 4.77 0.06 -4.37 117.00 119.68 1dxr n LEU 194 Ca -0.02 -0.04 -0.02 0.00 -0.03 0.00 0.00 56.01 55.90 1dxr n LEU 194 Cb 0.53 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.75 1dxr n LEU 194 CO 0.02 0.02 0.44 0.00 -1.33 0.00 0.00 177.39 176.54 1dxr h ALA 195 N 1.89 0.89 -2.75 -1.18 0.00 -1.47 -3.35 119.26 113.29 1dxr h ALA 195 Ca 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 1dxr h ALA 195 Cb 0.87 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1dxr h ALA 195 CO 0.00 0.84 0.03 0.27 0.00 0.00 0.00 179.25 180.39 1dxr n ASN 196 N -3.74 -0.75 -1.50 0.00 0.23 -1.26 -4.19 115.26 104.04 1dxr n ASN 196 Ca -0.01 -1.70 -0.08 0.00 -0.53 0.00 0.00 54.58 52.27 1dxr n ASN 196 Cb 0.66 1.30 0.22 0.00 -2.08 0.00 0.00 39.78 39.88 1dxr n ASN 196 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1dxr n ASP 197 N -1.54 3.29 0.06 0.53 5.75 -1.26 -4.67 116.55 118.71 1dxr n ASP 197 Ca -0.02 -3.56 -0.16 0.00 -0.01 0.00 0.00 54.79 51.04 1dxr n ASP 197 Cb 0.24 -0.69 -0.07 0.00 -1.03 0.00 0.00 41.12 39.57 1dxr n ASP 197 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1dxr h LYS 198 N 1.32 0.51 -6.15 0.11 1.57 -1.90 -3.46 116.57 108.58 1dxr h LYS 198 Ca 0.30 -0.56 -0.58 0.00 -1.87 0.00 0.00 60.65 57.94 1dxr h LYS 198 Cb 2.03 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 34.43 1dxr h LYS 198 CO 0.59 1.19 -0.55 1.03 -0.57 0.00 0.00 179.45 181.14 1dxr s ARG 199 N -3.27 3.02 -0.20 3.15 0.52 -1.26 -5.09 118.95 115.82 1dxr s ARG 199 Ca -0.07 -0.76 -0.12 0.00 -0.52 0.00 0.00 55.73 54.27 1dxr s ARG 199 Cb 0.08 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.76 1dxr s ARG 199 CO 0.89 0.52 0.20 -1.14 0.02 0.00 0.00 175.30 175.78 1dxr s GLN 200 N -2.94 4.18 0.21 3.54 2.00 -1.26 -4.99 119.66 120.40 1dxr s GLN 200 Ca 0.31 -0.12 0.04 0.00 -2.00 0.00 0.00 55.36 53.59 1dxr s GLN 200 Cb -0.11 -3.46 0.15 0.00 0.80 0.00 0.00 33.01 30.39 1dxr s GLN 200 CO 0.24 0.20 1.49 0.28 -0.50 0.00 0.00 175.29 177.00 1dxr h VAL 201 N 4.78 1.43 -3.36 1.34 2.07 -1.98 -3.45 116.25 117.07 1dxr h VAL 201 Ca -0.40 -2.22 -0.53 0.00 0.82 0.00 0.00 66.70 64.37 1dxr h VAL 201 Cb 1.16 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1dxr h VAL 201 CO 0.73 0.65 0.51 -0.13 0.02 0.00 0.00 177.57 179.35 1dxr s ARG 202 N -3.55 4.51 0.00 1.57 0.52 -1.26 -4.81 118.95 115.92 1dxr s ARG 202 Ca -0.04 1.71 0.00 0.00 -0.52 0.00 0.00 55.73 56.88 1dxr s ARG 202 Cb 0.11 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.25 1dxr s ARG 202 CO 0.81 -0.11 0.00 1.33 0.02 0.00 0.00 175.30 177.35 1dxr n VAL 203 N 3.33 0.00 -3.23 3.52 0.24 -1.26 -5.08 118.33 115.85 1dxr n VAL 203 Ca 0.06 -0.27 -0.39 0.00 -2.04 0.00 0.00 64.34 61.70 1dxr n VAL 203 Cb 0.47 0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 33.63 1dxr n VAL 203 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1dxr s VAL 204 N -0.87 4.95 0.57 3.34 1.01 -1.26 -5.00 120.40 123.15 1dxr s VAL 204 Ca 0.00 1.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.96 1dxr s VAL 204 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1dxr s VAL 204 CO 0.00 0.41 1.33 -2.84 0.00 0.00 0.00 175.10 174.00 1dxr s PRO 205 N -0.13 3.00 -0.06 2.72 0.02 -1.26 -4.94 135.00 134.35 1dxr s PRO 205 Ca 0.30 2.16 0.17 0.00 0.02 0.00 0.00 61.00 63.66 1dxr s PRO 205 Cb -0.18 -2.14 0.58 0.00 0.02 0.00 0.00 34.50 32.78 1dxr s PRO 205 CO 0.16 -1.28 1.49 1.04 -0.33 0.00 0.00 177.00 178.09 1dxr n GLN 206 N -1.26 3.17 -4.34 5.54 1.13 -1.26 -4.92 117.38 115.45 1dxr n GLN 206 Ca 0.12 -2.62 -0.22 0.00 -1.94 0.00 0.00 57.00 52.34 1dxr n GLN 206 Cb 0.46 -1.64 -0.11 0.00 0.11 0.00 0.00 30.24 29.05 1dxr n GLN 206 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1dxr s THR 207 N -1.49 1.86 0.10 5.09 -4.23 -1.26 -5.06 115.64 110.64 1dxr s THR 207 Ca 0.43 -1.90 -0.18 0.00 -1.18 0.00 0.00 61.69 58.86 1dxr s THR 207 Cb 0.26 -1.85 -0.07 0.00 1.34 0.00 0.00 72.50 72.19 1dxr s THR 207 CO 0.23 -0.28 1.54 0.00 -0.54 0.00 0.00 174.62 175.58 1dxr h ALA 208 N 3.31 0.38 -2.61 3.99 0.00 -2.05 -3.45 119.26 118.84 1dxr h ALA 208 Ca -0.43 -0.22 -0.55 0.00 0.00 0.00 0.00 54.91 53.71 1dxr h ALA 208 Cb 1.20 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1dxr h ALA 208 CO 0.50 0.12 -0.50 -0.51 0.00 0.00 0.00 179.25 178.85 1dxr s LEU 209 N -9.49 4.15 0.00 0.00 1.43 -1.26 -5.06 118.68 108.45 1dxr s LEU 209 Ca -0.13 0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.73 1dxr s LEU 209 Cb 0.08 -2.74 -0.06 0.00 0.03 0.00 0.00 46.19 43.50 1dxr s LEU 209 CO 0.76 0.06 1.50 -2.84 0.23 0.00 0.00 176.35 176.06 1dxr s PRO 210 N -3.18 4.24 0.03 1.29 0.02 -1.26 -4.97 135.00 131.17 1dxr s PRO 210 Ca 0.33 2.08 -0.30 0.00 0.02 0.00 0.00 61.00 63.13 1dxr s PRO 210 Cb -0.11 -3.66 -0.07 0.00 0.02 0.00 0.00 34.50 30.69 1dxr s PRO 210 CO 0.27 -0.67 1.48 -1.17 -0.33 0.00 0.00 177.00 176.57 1dxr s LEU 211 N 2.79 4.33 0.11 -5.54 2.96 -1.26 -4.96 118.68 117.12 1dxr s LEU 211 Ca 0.68 2.24 -0.31 0.00 -0.22 0.00 0.00 54.13 56.52 1dxr s LEU 211 Cb -0.33 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.70 1dxr s LEU 211 CO 0.28 -0.77 1.69 -0.69 -1.32 0.00 0.00 176.35 175.55 1dxr s VAL 212 N 2.36 2.73 0.00 1.68 1.01 -1.26 -2.79 120.40 124.13 1dxr s VAL 212 Ca 0.67 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1dxr s VAL 212 Cb -0.34 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1dxr s VAL 212 CO 0.28 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1dxr n GLY 213 N 4.02 2.29 0.00 4.51 0.00 -1.26 -4.89 105.19 109.85 1dxr n GLY 213 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1dxr n GLY 213 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1dxr n VAL 214 N -0.50 0.44 -0.04 1.61 0.24 -1.12 -4.90 118.33 114.06 1dxr n VAL 214 Ca 0.00 -0.47 0.02 0.00 -2.04 0.00 0.00 64.34 61.86 1dxr n VAL 214 Cb 0.00 0.82 0.06 0.00 -1.47 0.00 0.00 33.84 33.26 1dxr n VAL 214 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1dxr n SER 215 N -0.22 2.28 -3.89 -1.34 7.64 -1.22 -3.88 113.62 112.99 1dxr n SER 215 Ca 0.00 -1.90 -0.13 0.00 1.01 0.00 0.00 58.87 57.86 1dxr n SER 215 Cb 0.35 -0.09 -0.14 0.00 -1.01 0.00 0.00 64.21 63.32 1dxr n SER 215 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1dxr s ARG 216 N -0.92 0.09 5.87 1.43 1.81 -1.26 -4.91 118.95 121.06 1dxr s ARG 216 Ca 0.10 -0.06 0.00 0.00 -1.72 0.00 0.00 55.73 54.05 1dxr s ARG 216 Cb 0.05 -0.08 0.00 0.00 -0.45 0.00 0.00 34.95 34.47 1dxr s ARG 216 CO 0.07 0.02 0.00 0.41 -0.68 0.00 0.00 175.30 175.12 1dxr n GLY 217 N 3.01 2.99 0.00 -3.53 0.00 -1.26 -1.76 105.19 104.64 1dxr n GLY 217 Ca -0.13 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.63 1dxr n GLY 217 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dxr n LYS 218 N 14.00 0.14 0.23 1.61 5.02 -1.26 -1.31 118.16 136.59 1dxr n LYS 218 Ca 0.00 0.20 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 1dxr n LYS 218 Cb 0.00 -1.50 0.51 0.00 -0.02 0.00 0.00 35.03 34.02 1dxr n LYS 218 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1dxr h GLU 219 N 0.00 0.00 -6.53 1.97 5.08 -1.66 -3.45 114.58 110.00 1dxr h GLU 219 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1dxr h GLU 219 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1dxr h GLU 219 CO 0.00 0.17 0.09 1.03 -1.00 0.00 0.00 179.01 179.30 1dxr s ARG 220 N -3.67 4.24 0.37 2.33 0.52 -0.43 -4.68 118.95 117.63 1dxr s ARG 220 Ca 0.01 0.84 -0.28 0.00 -0.52 0.00 0.00 55.73 55.78 1dxr s ARG 220 Cb 0.10 -2.92 -0.10 0.00 0.52 0.00 0.00 34.95 32.55 1dxr s ARG 220 CO 0.62 0.42 1.39 1.03 0.02 0.00 0.00 175.30 178.78 1dxr s ARG 221 N -1.90 4.14 0.63 3.54 0.52 -1.26 -5.00 118.95 119.62 1dxr s ARG 221 Ca 0.42 2.38 -0.16 0.00 -0.52 0.00 0.00 55.73 57.85 1dxr s ARG 221 Cb -0.17 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 1dxr s ARG 221 CO 0.21 -0.43 1.10 -1.25 0.02 0.00 0.00 175.30 174.95 1dxr s PRO 222 N -2.04 2.99 0.63 3.54 0.04 -1.26 -4.89 135.00 134.01 1dxr s PRO 222 Ca 0.53 1.36 0.40 0.00 0.04 0.00 0.00 61.00 63.33 1dxr s PRO 222 Cb -0.43 -1.98 2.10 0.00 0.04 0.00 0.00 34.50 34.23 1dxr s PRO 222 CO 0.57 -1.09 2.26 1.25 0.04 0.00 0.00 177.00 180.03 1dxr h LEU 223 N 0.26 0.00 -2.06 -3.56 5.85 -2.03 -1.53 115.31 112.24 1dxr h LEU 223 Ca -0.47 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.33 1dxr h LEU 223 Cb 1.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1dxr h LEU 223 CO 0.55 0.01 0.21 0.77 -0.34 0.00 0.00 178.44 179.64 1dxr h SER 224 N 0.00 0.00 -0.42 1.25 4.64 -2.00 1.00 113.55 118.01 1dxr h SER 224 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1dxr h SER 224 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1dxr h SER 224 CO 0.00 0.00 0.14 0.44 -0.87 0.00 0.00 176.83 176.54 1dxr h ASP 225 N 0.00 0.66 -0.20 4.97 5.19 -1.64 -1.53 116.42 123.87 1dxr h ASP 225 Ca 0.13 -0.10 -0.18 0.00 -0.62 0.00 0.00 57.03 56.26 1dxr h ASP 225 Cb 0.54 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 1dxr h ASP 225 CO -0.00 0.64 -0.56 0.00 -3.12 0.00 0.00 179.24 176.20 1dxr h ALA 226 N 1.45 0.52 -0.42 3.45 0.00 -0.98 -1.99 119.26 121.28 1dxr h ALA 226 Ca 0.16 -0.52 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1dxr h ALA 226 Cb 0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1dxr h ALA 226 CO -0.01 0.68 0.18 1.88 0.00 0.00 0.00 179.25 181.99 1dxr h TYR 227 N 0.61 0.33 -0.60 0.00 -1.99 -1.35 -1.63 116.97 112.34 1dxr h TYR 227 Ca 0.01 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 1dxr h TYR 227 Cb 1.15 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 39.77 1dxr h TYR 227 CO 0.07 0.15 0.32 0.00 -0.00 0.00 0.00 178.16 178.71 1dxr h ALA 228 N 1.25 0.77 -0.73 3.88 0.00 -1.13 0.52 119.26 123.81 1dxr h ALA 228 Ca 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1dxr h ALA 228 Cb 0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1dxr h ALA 228 CO -0.16 0.29 0.33 1.15 0.00 0.00 0.00 179.25 180.87 1dxr h THR 229 N 0.81 1.24 -0.81 0.00 2.02 -1.23 0.11 112.91 115.06 1dxr h THR 229 Ca 0.21 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 1dxr h THR 229 Cb 0.05 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 1dxr h THR 229 CO -0.03 0.29 0.35 0.15 0.37 0.00 0.00 175.52 176.64 1dxr h PHE 230 N 1.03 1.21 -0.39 3.16 3.57 -0.83 -1.03 116.94 123.66 1dxr h PHE 230 Ca 0.25 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1dxr h PHE 230 Cb 0.15 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 1dxr h PHE 230 CO 0.01 0.90 0.23 0.00 -2.23 0.00 0.00 178.31 177.22 1dxr h ALA 231 N 1.18 0.50 -0.97 2.41 0.00 -0.35 0.23 119.26 122.27 1dxr h ALA 231 Ca 0.27 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1dxr h ALA 231 Cb 0.18 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1dxr h ALA 231 CO -0.03 -0.00 0.63 1.25 0.00 0.00 0.00 179.25 181.10 1dxr h LEU 232 N 0.51 0.98 -0.38 0.00 5.85 -0.47 -1.50 115.31 120.30 1dxr h LEU 232 Ca 0.14 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.69 1dxr h LEU 232 Cb 0.01 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1dxr h LEU 232 CO -0.03 0.63 -0.81 0.24 -0.34 0.00 0.00 178.44 178.13 1dxr h MET 233 N 1.11 0.05 -0.75 1.25 2.86 0.27 0.03 114.93 119.74 1dxr h MET 233 Ca 0.42 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.95 1dxr h MET 233 Cb 0.19 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1dxr h MET 233 CO -0.16 0.83 0.26 0.52 1.06 0.00 0.00 176.91 179.41 1dxr h MET 234 N 0.03 1.16 -0.20 1.72 2.86 -0.21 -1.57 114.93 118.73 1dxr h MET 234 Ca -0.02 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.33 1dxr h MET 234 Cb 1.43 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 1dxr h MET 234 CO 0.11 0.97 -0.11 1.03 1.06 0.00 0.00 176.91 179.97 1dxr h SER 235 N 1.11 0.44 -0.47 1.22 0.87 -0.89 -1.39 113.55 114.44 1dxr h SER 235 Ca 0.25 -0.42 0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1dxr h SER 235 Cb 0.28 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 1dxr h SER 235 CO -0.01 0.76 0.30 0.40 -0.53 0.00 0.00 176.83 177.75 1dxr h ILE 236 N 0.12 1.08 0.06 2.23 2.04 -0.91 0.11 117.51 122.24 1dxr h ILE 236 Ca 0.04 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1dxr h ILE 236 Cb 0.60 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1dxr h ILE 236 CO 0.03 0.11 -0.13 0.28 0.00 0.00 0.00 178.15 178.44 1dxr h SER 237 N 0.60 -0.36 -0.79 1.72 0.02 -1.13 -1.63 113.55 111.98 1dxr h SER 237 Ca 0.18 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 1dxr h SER 237 Cb -0.03 0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 1dxr h SER 237 CO -0.06 -0.19 0.33 -0.78 -1.14 0.00 0.00 176.83 174.99 1dxr h ASP 238 N -0.25 1.09 -0.54 3.07 3.58 -1.08 -0.37 116.42 121.93 1dxr h ASP 238 Ca 0.03 -0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 1dxr h ASP 238 Cb 0.27 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 1dxr h ASP 238 CO -0.09 0.96 0.34 0.28 -2.88 0.00 0.00 179.24 177.86 1dxr h SER 239 N 1.16 0.65 -0.05 2.28 0.02 -0.59 -1.90 113.55 115.12 1dxr h SER 239 Ca 0.27 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1dxr h SER 239 Cb 0.20 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1dxr h SER 239 CO -0.02 0.49 0.00 0.18 -1.14 0.00 0.00 176.83 176.34 1dxr n LEU 240 N -4.43 2.80 -2.91 5.07 4.77 -0.65 -0.93 117.00 120.71 1dxr n LEU 240 Ca 0.05 -0.95 -0.17 0.00 -0.03 0.00 0.00 56.01 54.91 1dxr n LEU 240 Cb 0.06 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1dxr n LEU 240 CO 0.36 0.47 0.17 0.61 -1.33 0.00 0.00 177.39 177.67 1dxr n GLY 241 N 1.33 -0.21 1.83 -0.72 0.00 -0.51 -1.93 105.19 104.98 1dxr n GLY 241 Ca 0.15 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1dxr n GLY 241 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dxr n THR 242 N -4.21 0.00 -4.47 2.61 5.66 -0.26 -4.84 114.28 108.77 1dxr n THR 242 Ca -0.05 -1.22 -0.22 0.00 -3.05 0.00 0.00 64.05 59.51 1dxr n THR 242 Cb 0.57 0.65 -0.11 0.00 -1.55 0.00 0.00 70.33 69.90 1dxr n THR 242 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1dxr s ASN 243 N -2.27 2.55 0.38 1.09 2.20 -1.26 -4.38 114.94 113.26 1dxr s ASN 243 Ca 0.20 -1.36 0.14 0.00 -0.94 0.00 0.00 52.86 50.90 1dxr s ASN 243 Cb 0.00 -0.12 0.97 0.00 -2.00 0.00 0.00 41.25 40.10 1dxr s ASN 243 CO 0.14 -0.57 1.82 0.00 -2.94 0.00 0.00 177.10 175.55 1dxr n THR 245 N -4.60 0.11 0.23 0.00 -2.24 -1.26 -0.73 114.28 105.79 1dxr n THR 245 Ca 0.21 0.03 0.09 0.00 -2.27 0.00 0.00 64.05 62.11 1dxr n THR 245 Cb 0.68 -0.64 0.53 0.00 -2.10 0.00 0.00 70.33 68.80 1dxr n THR 245 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1dxr h PHE 246 N 0.00 0.00 0.00 4.78 3.57 -1.45 -3.37 116.94 120.47 1dxr h PHE 246 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1dxr h PHE 246 Cb 0.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1dxr h PHE 246 CO 0.00 0.24 -0.87 0.00 -2.23 0.00 0.00 178.31 175.45 1dxr s HIS 248 N -1.87 2.45 -0.34 0.00 3.76 0.09 -2.26 115.29 117.13 1dxr s HIS 248 Ca 0.00 -0.30 -0.20 0.00 -0.15 0.00 0.00 55.06 54.41 1dxr s HIS 248 Cb 0.00 -1.30 -0.00 0.00 1.11 0.00 0.00 32.58 32.38 1dxr s HIS 248 CO 0.00 0.38 0.59 1.21 -0.85 0.00 0.00 174.74 176.07 1dxr s ASN 249 N -2.16 6.40 0.25 1.40 3.84 -0.47 -4.13 114.94 120.08 1dxr s ASN 249 Ca 0.17 0.14 0.20 0.00 0.21 0.00 0.00 52.86 53.58 1dxr s ASN 249 Cb -0.10 -2.31 0.97 0.00 -0.55 0.00 0.00 41.25 39.26 1dxr s ASN 249 CO 0.09 -0.53 1.61 0.00 -2.79 0.00 0.00 177.10 175.48 1dxr n ALA 250 N 5.90 1.28 -0.32 1.71 0.00 -1.26 -1.55 120.51 126.27 1dxr n ALA 250 Ca -0.02 0.13 0.18 0.00 0.00 0.00 0.00 53.44 53.72 1dxr n ALA 250 Cb 0.49 -1.31 0.37 0.00 0.00 0.00 0.00 19.45 19.00 1dxr n ALA 250 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1dxr h GLN 251 N 0.00 0.29 -1.57 0.00 4.15 -1.95 -3.36 115.11 112.67 1dxr h GLN 251 Ca 0.00 -0.02 -0.20 0.00 0.77 0.00 0.00 58.65 59.20 1dxr h GLN 251 Cb 0.14 -0.07 -0.27 0.00 0.21 0.00 0.00 27.48 27.49 1dxr h GLN 251 CO 0.00 0.19 -0.55 -0.08 -1.93 0.00 0.00 178.83 176.46 1dxr s THR 252 N -5.81 -0.65 0.48 2.39 -1.32 -0.60 -5.01 115.64 105.12 1dxr s THR 252 Ca -0.11 -0.42 0.14 0.00 -1.21 0.00 0.00 61.69 60.09 1dxr s THR 252 Cb 0.28 -0.69 0.24 0.00 -1.51 0.00 0.00 72.50 70.81 1dxr s THR 252 CO 0.78 -0.29 2.08 -0.26 -2.21 0.00 0.00 174.62 174.72 1dxr h PHE 253 N 7.58 0.09 0.00 9.09 0.04 -1.72 -2.74 116.94 129.28 1dxr h PHE 253 Ca -0.01 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1dxr h PHE 253 Cb 1.12 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.24 1dxr h PHE 253 CO 0.26 0.12 -0.17 -0.85 -0.60 0.00 0.00 178.31 177.07 1dxr n GLU 254 N -4.46 0.05 -3.53 1.51 0.00 -1.26 -4.87 120.64 108.08 1dxr n GLU 254 Ca -0.02 0.03 -0.31 0.00 0.00 0.00 0.00 57.16 56.86 1dxr n GLU 254 Cb 0.14 -1.55 -0.05 0.00 0.00 0.00 0.00 31.44 29.98 1dxr n GLU 254 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1dxr s SER 255 N -3.26 6.55 0.00 -1.84 0.01 -1.04 -5.10 113.70 109.02 1dxr s SER 255 Ca 0.12 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.13 1dxr s SER 255 Cb 0.17 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.25 1dxr s SER 255 CO 0.59 -0.03 0.00 0.79 0.41 0.00 0.00 173.24 175.01 1dxr n TRP 256 N -0.10 0.00 0.00 2.43 7.02 -1.26 -4.04 117.44 121.49 1dxr n TRP 256 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 1dxr n TRP 256 Cb 0.52 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 1dxr n TRP 256 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1dxr n GLY 257 N 5.00 2.71 0.21 6.99 0.00 -1.26 -2.06 105.19 116.78 1dxr n GLY 257 Ca 0.00 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 45.91 1dxr n GLY 257 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dxr h LYS 258 N 0.00 0.00 -0.01 1.61 1.57 -2.02 -3.03 116.57 114.69 1dxr h LYS 258 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dxr h LYS 258 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1dxr h LYS 258 CO 0.00 0.00 -0.09 1.63 -0.57 0.00 0.00 179.45 180.42 1dxr n LYS 259 N -2.73 1.08 -4.20 3.15 4.76 -0.87 -4.85 118.16 114.51 1dxr n LYS 259 Ca 0.02 -0.50 -0.17 0.00 -2.87 0.00 0.00 58.31 54.79 1dxr n LYS 259 Cb 0.29 -1.49 -0.13 0.00 -1.84 0.00 0.00 35.03 31.87 1dxr n LYS 259 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1dxr s SER 260 N -2.26 1.25 0.49 4.39 0.01 -1.15 -1.36 113.70 115.07 1dxr s SER 260 Ca 0.33 -0.46 -0.04 0.00 1.31 0.00 0.00 55.95 57.10 1dxr s SER 260 Cb 0.20 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.37 1dxr s SER 260 CO 0.42 -0.06 0.76 0.42 0.41 0.00 0.00 173.24 175.20 1dxr s THR 261 N -0.98 4.43 0.53 1.44 -4.23 -0.96 -4.71 115.64 111.16 1dxr s THR 261 Ca -0.03 -0.08 0.23 0.00 -1.18 0.00 0.00 61.69 60.64 1dxr s THR 261 Cb -0.08 -3.68 0.36 0.00 1.34 0.00 0.00 72.50 70.44 1dxr s THR 261 CO 0.01 -0.61 2.04 -0.65 -0.54 0.00 0.00 174.62 174.87 1dxr h PRO 262 N 0.22 0.00 0.00 3.99 0.11 -1.91 -0.93 132.00 133.49 1dxr h PRO 262 Ca -0.47 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1dxr h PRO 262 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1dxr h PRO 262 CO 0.60 0.00 -0.17 1.96 -0.21 0.00 0.00 178.00 180.18 1dxr h GLN 263 N 0.00 0.00 -0.29 1.05 7.50 -1.92 -2.47 115.11 118.99 1dxr h GLN 263 Ca 0.17 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.20 1dxr h GLN 263 Cb 0.70 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.22 1dxr h GLN 263 CO -0.00 0.17 -0.33 -0.09 -1.50 0.00 0.00 178.83 177.08 1dxr h ARG 264 N 0.00 0.62 -0.14 1.46 2.43 -1.39 -0.02 114.38 117.34 1dxr h ARG 264 Ca -0.00 -0.28 -0.18 0.00 -0.81 0.00 0.00 59.98 58.71 1dxr h ARG 264 Cb 0.40 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1dxr h ARG 264 CO 0.02 0.87 -0.65 0.00 -1.51 0.00 0.00 179.97 178.70 1dxr h ALA 265 N 1.11 0.62 -0.56 2.80 0.00 -1.54 -0.65 119.26 121.04 1dxr h ALA 265 Ca 0.06 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1dxr h ALA 265 Cb 0.82 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1dxr h ALA 265 CO 0.07 0.72 0.09 0.82 0.00 0.00 0.00 179.25 180.94 1dxr h ILE 266 N 0.38 1.24 -0.71 0.00 2.04 -1.13 -2.36 117.51 116.98 1dxr h ILE 266 Ca -0.01 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 1dxr h ILE 266 Cb 1.21 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1dxr h ILE 266 CO 0.12 0.35 0.22 0.00 0.00 0.00 0.00 178.15 178.83 1dxr h ALA 267 N 1.23 1.05 -0.29 1.87 0.00 -0.71 -1.38 119.26 121.04 1dxr h ALA 267 Ca 0.18 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1dxr h ALA 267 Cb 0.39 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1dxr h ALA 267 CO 0.01 0.64 0.01 2.35 0.00 0.00 0.00 179.25 182.26 1dxr h TRP 268 N 1.05 0.00 -0.45 0.00 7.01 -0.62 -1.17 115.95 121.76 1dxr h TRP 268 Ca 0.23 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.22 1dxr h TRP 268 Cb 0.30 0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.38 1dxr h TRP 268 CO 0.02 -0.04 0.17 -1.49 -2.79 0.00 0.00 178.44 174.32 1dxr h TRP 269 N 0.10 0.65 -0.83 2.65 4.06 -1.09 -2.65 115.95 118.84 1dxr h TRP 269 Ca 0.14 -0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.04 1dxr h TRP 269 Cb 0.18 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.10 1dxr h TRP 269 CO -0.21 0.51 0.44 0.78 -3.56 0.00 0.00 178.44 176.41 1dxr h GLY 270 N 0.80 1.24 0.83 1.49 0.00 -0.42 0.82 103.07 107.84 1dxr h GLY 270 Ca 0.16 -0.57 0.04 0.00 0.00 0.00 0.00 47.33 46.95 1dxr h GLY 270 CO -0.01 0.55 0.47 -2.22 0.00 0.00 0.00 176.54 175.32 1dxr h ILE 271 N 1.15 1.08 -0.34 2.60 2.04 -0.89 0.94 117.51 124.08 1dxr h ILE 271 Ca 0.29 -0.31 -0.14 0.00 1.00 0.00 0.00 64.86 65.70 1dxr h ILE 271 Cb 0.04 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1dxr h ILE 271 CO -0.05 0.16 -0.34 0.03 0.00 0.00 0.00 178.15 177.96 1dxr h ARG 272 N 0.89 0.83 -0.23 2.37 -0.00 -1.27 -2.15 114.38 114.82 1dxr h ARG 272 Ca 0.31 -0.44 -0.01 0.00 -0.50 0.00 0.00 59.98 59.34 1dxr h ARG 272 Cb 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.04 1dxr h ARG 272 CO -0.13 1.08 0.12 1.98 0.00 0.00 0.00 179.97 183.02 1dxr h MET 273 N 0.62 0.33 -0.75 0.04 4.05 -0.55 -1.95 114.93 116.71 1dxr h MET 273 Ca 0.05 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.46 1dxr h MET 273 Cb 0.92 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.61 1dxr h MET 273 CO 0.08 0.31 0.48 0.28 0.23 0.00 0.00 176.91 178.30 1dxr h VAL 274 N 0.26 1.11 -0.71 -5.77 2.07 -0.76 -1.19 116.25 111.26 1dxr h VAL 274 Ca 0.08 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1dxr h VAL 274 Cb 0.09 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 1dxr h VAL 274 CO -0.01 0.17 0.37 0.03 0.02 0.00 0.00 177.57 178.15 1dxr h ARG 275 N 0.94 1.00 -0.38 1.57 3.08 -1.24 -0.79 114.38 118.57 1dxr h ARG 275 Ca 0.30 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1dxr h ARG 275 Cb 0.01 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1dxr h ARG 275 CO -0.11 0.77 0.25 0.22 -1.07 0.00 0.00 179.97 180.02 1dxr h ASP 276 N 0.98 0.44 -0.43 7.04 3.58 -0.79 0.10 116.42 127.34 1dxr h ASP 276 Ca 0.25 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 1dxr h ASP 276 Cb 0.07 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1dxr h ASP 276 CO -0.04 0.32 0.19 -0.07 -2.88 0.00 0.00 179.24 176.77 1dxr h LEU 277 N 0.51 0.58 -0.07 2.28 3.38 -0.94 -0.47 115.31 120.57 1dxr h LEU 277 Ca 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1dxr h LEU 277 Cb -0.05 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1dxr h LEU 277 CO -0.03 0.57 -0.02 0.78 0.09 0.00 0.00 178.44 179.82 1dxr h ASN 278 N 0.55 0.15 -0.12 -0.43 2.35 -0.99 0.76 115.58 117.86 1dxr h ASN 278 Ca 0.15 -0.39 -0.16 0.00 -0.55 0.00 0.00 56.30 55.35 1dxr h ASN 278 Cb 0.15 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1dxr h ASN 278 CO -0.02 0.50 -0.50 0.24 -1.65 0.00 0.00 177.43 176.00 1dxr h MET 279 N -0.21 0.69 0.00 0.81 2.86 -0.79 -0.55 114.93 117.74 1dxr h MET 279 Ca 0.02 -0.41 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1dxr h MET 279 Cb 0.44 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1dxr h MET 279 CO 0.01 1.03 -1.54 0.09 1.06 0.00 0.00 176.91 177.55 1dxr n ASN 280 N -3.99 1.68 -0.00 1.22 3.02 -0.19 -4.53 115.26 112.45 1dxr n ASN 280 Ca -0.03 -0.08 -0.01 0.00 -0.03 0.00 0.00 54.58 54.43 1dxr n ASN 280 Cb 0.59 1.58 -0.00 0.00 -0.61 0.00 0.00 39.78 41.33 1dxr n ASN 280 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1dxr n TYR 281 N -1.92 0.00 -0.04 3.10 4.02 0.07 -4.87 117.16 117.51 1dxr n TYR 281 Ca -0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.66 1dxr n TYR 281 Cb 0.35 -0.03 -0.13 0.00 -0.02 0.00 0.00 39.34 39.51 1dxr n TYR 281 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1dxr h LEU 282 N -0.03 0.22 -0.88 7.72 3.38 -1.08 -3.36 115.31 121.29 1dxr h LEU 282 Ca -0.02 -0.75 -0.00 0.00 0.09 0.00 0.00 57.88 57.20 1dxr h LEU 282 Cb 1.02 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1dxr h LEU 282 CO -0.01 1.61 0.54 0.00 0.09 0.00 0.00 178.44 180.66 1dxr h ALA 283 N -0.19 1.12 0.00 1.53 0.00 -1.31 -1.39 119.26 119.02 1dxr h ALA 283 Ca -0.34 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1dxr h ALA 283 Cb 1.62 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1dxr h ALA 283 CO -0.04 0.58 0.00 -1.35 0.00 0.00 0.00 179.25 178.43 1dxr h PRO 284 N 1.21 0.00 0.00 0.00 0.11 -1.79 -2.94 132.00 128.59 1dxr h PRO 284 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1dxr h PRO 284 Cb -0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1dxr h PRO 284 CO -0.06 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.01 1dxr n LEU 285 N -2.37 0.00 0.29 2.35 4.77 -0.52 -2.30 117.00 119.22 1dxr n LEU 285 Ca -0.01 0.33 0.19 0.00 -0.03 0.00 0.00 56.01 56.49 1dxr n LEU 285 Cb 0.09 -0.33 0.85 0.00 -2.33 0.00 0.00 43.42 41.70 1dxr n LEU 285 CO 0.14 -0.16 1.05 -0.55 -1.33 0.00 0.00 177.39 176.54 1dxr h ASN 286 N 0.00 0.00 0.40 -1.43 -1.07 -1.70 0.47 115.58 112.25 1dxr h ASN 286 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.31 1dxr h ASN 286 Cb 0.17 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.42 1dxr h ASN 286 CO 0.00 0.01 -0.26 0.00 0.07 0.00 0.00 177.43 177.25 1dxr h ALA 287 N 1.99 1.36 -0.01 4.14 0.00 -1.74 -3.25 119.26 121.75 1dxr h ALA 287 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1dxr h ALA 287 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1dxr h ALA 287 CO 0.00 0.33 -0.41 0.43 0.00 0.00 0.00 179.25 179.60 1dxr n SER 288 N -3.93 1.21 -4.92 0.00 7.64 0.08 -5.01 113.62 108.70 1dxr n SER 288 Ca -0.02 -1.11 -0.31 0.00 1.01 0.00 0.00 58.87 58.45 1dxr n SER 288 Cb 0.34 0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 64.15 1dxr n SER 288 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1dxr s LEU 289 N -2.15 4.34 0.77 -3.43 1.43 -0.75 -4.88 118.68 114.01 1dxr s LEU 289 Ca 0.10 0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 53.37 1dxr s LEU 289 Cb 0.11 -3.02 0.05 0.00 0.03 0.00 0.00 46.19 43.36 1dxr s LEU 289 CO 0.42 0.14 1.14 -0.81 0.23 0.00 0.00 176.35 177.47 1dxr n PRO 290 N 0.18 0.38 0.27 1.29 -0.04 -1.26 -4.87 135.00 130.94 1dxr n PRO 290 Ca -0.05 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.71 1dxr n PRO 290 Cb 0.51 -2.39 0.72 0.00 -0.04 0.00 0.00 33.50 32.30 1dxr n PRO 290 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dxr h ALA 291 N -0.57 1.88 0.00 0.55 0.00 -1.96 0.47 119.26 119.62 1dxr h ALA 291 Ca -0.47 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1dxr h ALA 291 Cb 1.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1dxr h ALA 291 CO 0.47 -0.01 -0.00 0.66 0.00 0.00 0.00 179.25 180.36 1dxr h SER 292 N 0.00 0.00 1.62 0.00 4.64 -2.01 -1.41 113.55 116.38 1dxr h SER 292 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1dxr h SER 292 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1dxr h SER 292 CO -0.00 0.00 -0.39 0.03 -0.87 0.00 0.00 176.83 175.61 1dxr h ARG 293 N 0.00 0.00 -6.69 4.77 2.47 -1.24 -3.48 114.38 110.21 1dxr h ARG 293 Ca -0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 1dxr h ARG 293 Cb 0.22 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1dxr h ARG 293 CO 0.00 0.15 0.00 -0.51 0.56 0.00 0.00 179.97 180.17 1dxr s LEU 294 N -6.11 3.92 0.00 3.04 1.43 -0.53 -4.41 118.68 116.02 1dxr s LEU 294 Ca 0.04 0.94 -0.08 0.00 -1.03 0.00 0.00 54.13 54.00 1dxr s LEU 294 Cb 0.07 -3.80 0.12 0.00 0.03 0.00 0.00 46.19 42.61 1dxr s LEU 294 CO 0.72 -0.32 0.72 0.61 0.23 0.00 0.00 176.35 178.31 1dxr n GLY 295 N -1.18 -1.11 0.00 -3.19 0.00 0.06 -4.86 105.19 94.92 1dxr n GLY 295 Ca 0.01 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.36 1dxr n GLY 295 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dxr n ARG 296 N -2.51 0.02 -0.37 1.61 1.74 -1.26 -0.64 116.66 115.25 1dxr n ARG 296 Ca 0.09 0.28 0.08 0.00 -0.77 0.00 0.00 57.85 57.53 1dxr n ARG 296 Cb 0.32 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.49 1dxr n ARG 296 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1dxr n GLN 297 N -1.48 2.96 -1.34 5.56 3.00 -1.26 -4.95 117.38 119.87 1dxr n GLN 297 Ca 0.03 -2.60 -0.07 0.00 -0.01 0.00 0.00 57.00 54.35 1dxr n GLN 297 Cb 0.14 -1.68 -0.02 0.00 0.00 0.00 0.00 30.24 28.68 1dxr n GLN 297 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1dxr n GLY 298 N -0.15 0.76 3.80 1.08 0.00 0.19 -5.02 105.19 105.85 1dxr n GLY 298 Ca 0.18 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 1dxr n GLY 298 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1dxr s GLU 299 N -2.83 4.32 0.59 1.61 1.03 -1.26 -4.76 118.70 117.39 1dxr s GLU 299 Ca 0.00 0.89 -0.16 0.00 0.03 0.00 0.00 54.97 55.73 1dxr s GLU 299 Cb 0.00 -3.13 -0.04 0.00 -0.80 0.00 0.00 34.13 30.16 1dxr s GLU 299 CO 0.00 0.54 1.07 0.00 -1.33 0.00 0.00 175.26 175.54 1dxr s ALA 300 N -1.26 2.70 0.32 -0.84 0.00 -1.26 -0.76 121.76 120.66 1dxr s ALA 300 Ca 0.35 0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.49 1dxr s ALA 300 Cb -0.20 -3.26 -0.11 0.00 0.00 0.00 0.00 23.12 19.56 1dxr s ALA 300 CO 0.22 -0.85 1.52 -2.14 0.00 0.00 0.00 175.76 174.51 1dxr s PRO 301 N -3.95 4.15 0.37 0.00 0.02 -1.26 -4.85 135.00 129.49 1dxr s PRO 301 Ca 0.65 2.52 0.02 0.00 0.02 0.00 0.00 61.00 64.21 1dxr s PRO 301 Cb -0.17 -3.02 -0.01 0.00 0.02 0.00 0.00 34.50 31.32 1dxr s PRO 301 CO 0.35 -0.54 0.07 1.04 -0.33 0.00 0.00 177.00 177.60 1dxr n GLN 302 N 1.52 0.78 -4.32 5.54 6.02 0.24 -4.80 117.38 122.36 1dxr n GLN 302 Ca 0.05 -2.94 -0.34 0.00 -0.01 0.00 0.00 57.00 53.77 1dxr n GLN 302 Cb 0.39 1.26 -0.09 0.00 1.02 0.00 0.00 30.24 32.82 1dxr n GLN 302 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1dxr s ALA 303 N -2.84 3.29 0.00 -1.58 0.00 -1.26 -0.56 121.76 118.81 1dxr s ALA 303 Ca 0.10 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1dxr s ALA 303 Cb 0.01 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1dxr s ALA 303 CO 0.07 0.62 0.00 -0.40 0.00 0.00 0.00 175.76 176.06 1dxr n ASP 304 N 1.71 1.62 -0.02 0.00 5.68 -1.26 -4.90 116.55 119.38 1dxr n ASP 304 Ca -0.16 -0.44 -0.07 0.00 -0.50 0.00 0.00 54.79 53.63 1dxr n ASP 304 Cb 0.53 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.63 1dxr n ASP 304 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dxr h ARG 306 N 0.50 0.00 -0.91 0.00 2.43 -1.93 -1.47 114.38 112.99 1dxr h ARG 306 Ca 0.06 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.42 1dxr h ARG 306 Cb 0.82 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.26 1dxr h ARG 306 CO 0.07 0.24 0.47 1.15 -1.51 0.00 0.00 179.97 180.39 1dxr h THR 307 N 0.00 0.62 0.04 0.20 2.02 -1.63 0.11 112.91 114.26 1dxr h THR 307 Ca -0.00 -0.20 -0.32 0.00 0.77 0.00 0.00 66.41 66.66 1dxr h THR 307 Cb 0.46 -0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 1dxr h THR 307 CO 0.03 0.10 -1.78 0.00 0.37 0.00 0.00 175.52 174.25 1dxr h HIS 309 N -0.62 0.74 -6.56 0.00 -0.00 -0.65 -3.42 115.15 104.63 1dxr h HIS 309 Ca -0.45 -0.42 -0.52 0.00 -0.00 0.00 0.00 60.37 58.98 1dxr h HIS 309 Cb 1.61 -0.08 -0.10 0.00 -0.00 0.00 0.00 27.41 28.84 1dxr h HIS 309 CO 0.06 1.26 -0.86 1.04 -0.00 0.00 0.00 177.93 179.43 1dxr n GLN 310 N -3.75 -3.48 -0.60 2.45 6.02 0.33 -1.74 117.38 116.60 1dxr n GLN 310 Ca -0.09 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 1dxr n GLN 310 Cb 0.88 -4.82 0.00 0.00 1.02 0.00 0.00 30.24 27.32 1dxr n GLN 310 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dxr n GLY 311 N -1.75 0.69 3.20 1.08 0.00 -0.11 -5.00 105.19 103.29 1dxr n GLY 311 Ca -0.14 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 1dxr n GLY 311 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dxr s VAL 312 N -2.00 1.47 0.47 1.61 1.01 -0.71 -3.50 120.40 118.76 1dxr s VAL 312 Ca 0.00 -0.92 0.19 0.00 0.00 0.00 0.00 61.98 61.25 1dxr s VAL 312 Cb 0.00 -1.25 0.24 0.00 0.00 0.00 0.00 36.38 35.37 1dxr s VAL 312 CO 0.00 0.31 2.06 0.71 0.00 0.00 0.00 175.10 178.19 1dxr h THR 313 N 4.58 0.95 -4.27 3.92 1.35 -1.69 -3.38 112.91 114.36 1dxr h THR 313 Ca -0.39 -0.42 -0.65 0.00 -0.55 0.00 0.00 66.41 64.40 1dxr h THR 313 Cb 1.15 1.24 -0.30 0.00 -1.73 0.00 0.00 68.15 68.51 1dxr h THR 313 CO 0.47 0.12 -0.87 -0.54 -0.25 0.00 0.00 175.52 174.44 1dxr s LYS 314 N -4.65 2.05 0.24 4.72 1.02 -1.26 -5.05 119.74 116.81 1dxr s LYS 314 Ca -0.04 -0.81 -0.31 0.00 0.02 0.00 0.00 55.97 54.82 1dxr s LYS 314 Cb 0.15 -1.87 -0.13 0.00 -0.52 0.00 0.00 37.83 35.47 1dxr s LYS 314 CO 0.66 0.42 1.53 -2.30 -0.92 0.00 0.00 175.35 174.74 1dxr n PRO 315 N 2.73 2.35 -3.10 -1.68 -0.02 -1.26 -1.44 135.00 132.58 1dxr n PRO 315 Ca -0.16 0.84 -0.21 0.00 -2.02 0.00 0.00 63.50 61.94 1dxr n PRO 315 Cb 0.52 -2.57 0.01 0.00 -0.02 0.00 0.00 33.50 31.44 1dxr n PRO 315 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1dxr n LEU 316 N 2.53 -1.89 -2.48 2.45 4.77 -1.26 -0.94 117.00 120.18 1dxr n LEU 316 Ca 0.12 -0.27 -0.15 0.00 -0.03 0.00 0.00 56.01 55.68 1dxr n LEU 316 Cb 0.33 -2.44 -0.01 0.00 -2.33 0.00 0.00 43.42 38.98 1dxr n LEU 316 CO 0.63 0.13 -0.18 0.49 -1.33 0.00 0.00 177.39 177.14 1dxr n PHE 317 N -4.06 -1.33 -0.57 -1.77 3.01 -0.52 -1.53 117.46 110.69 1dxr n PHE 317 Ca -0.07 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1dxr n PHE 317 Cb 0.58 -3.15 0.00 0.00 -0.01 0.00 0.00 39.48 36.90 1dxr n PHE 317 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dxr n GLY 318 N -0.90 0.74 3.72 1.37 0.00 -0.12 -4.99 105.19 105.01 1dxr n GLY 318 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1dxr n GLY 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxr n ALA 319 N -0.30 1.27 -2.91 4.61 0.00 -0.58 -4.96 120.51 117.64 1dxr n ALA 319 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 1dxr n ALA 319 Cb 0.00 -2.31 -0.12 0.00 0.00 0.00 0.00 19.45 17.02 1dxr n ALA 319 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dxr s SER 320 N -1.03 0.29 -0.09 0.00 0.15 -1.26 -4.91 113.70 106.85 1dxr s SER 320 Ca 0.74 -0.33 0.12 0.00 0.70 0.00 0.00 55.95 57.19 1dxr s SER 320 Cb -0.42 0.05 0.20 0.00 -1.71 0.00 0.00 66.02 64.14 1dxr s SER 320 CO 0.47 -0.17 1.10 0.54 1.20 0.00 0.00 173.24 176.39 1dxr n ARG 321 N 2.12 0.83 -0.25 5.44 5.12 -1.26 -4.89 116.66 123.77 1dxr n ARG 321 Ca -0.19 -2.05 -0.07 0.00 -1.93 0.00 0.00 57.85 53.61 1dxr n ARG 321 Cb 0.57 -1.14 0.04 0.00 -1.16 0.00 0.00 32.46 30.77 1dxr n ARG 321 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1dxr h LEU 322 N 0.04 0.98 -0.92 0.55 5.85 -1.87 -0.28 115.31 119.66 1dxr h LEU 322 Ca -0.00 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 1dxr h LEU 322 Cb 1.15 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1dxr h LEU 322 CO 0.00 0.91 -0.49 0.11 -0.34 0.00 0.00 178.44 178.63 1dxr h LYS 323 N 0.99 0.00 -0.03 1.25 1.57 -1.91 -3.19 116.57 115.24 1dxr h LYS 323 Ca 0.22 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.84 1dxr h LYS 323 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1dxr h LYS 323 CO -0.01 0.49 -0.72 -0.44 -0.57 0.00 0.00 179.45 178.20 1dxr h ASP 324 N 0.00 0.24 -2.58 0.86 3.32 -1.46 -3.38 116.42 113.42 1dxr h ASP 324 Ca -0.00 -0.16 -0.60 0.00 0.02 0.00 0.00 57.03 56.29 1dxr h ASP 324 Cb 0.95 -0.07 -0.40 0.00 0.22 0.00 0.00 39.33 40.03 1dxr h ASP 324 CO 0.06 0.87 -0.80 -1.22 -1.72 0.00 0.00 179.24 176.44 1dxr n TYR 325 N -3.78 1.23 0.28 4.55 4.01 -0.54 -4.94 117.16 117.97 1dxr n TYR 325 Ca -0.03 -3.81 0.13 0.00 -0.16 0.00 0.00 57.90 54.03 1dxr n TYR 325 Cb 0.70 -0.23 0.81 0.00 -0.31 0.00 0.00 39.34 40.31 1dxr n TYR 325 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1dxr h PRO 326 N 5.19 0.00 -1.05 -0.72 0.11 -1.75 -1.77 132.00 132.01 1dxr h PRO 326 Ca 0.19 0.00 0.30 0.00 0.11 0.00 0.00 66.00 66.60 1dxr h PRO 326 Cb 0.82 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.88 1dxr h PRO 326 CO 0.56 0.02 0.74 0.93 -0.21 0.00 0.00 178.00 180.05 1dxr h GLU 327 N 0.00 0.08 -0.19 1.05 3.07 -1.92 0.45 114.58 117.11 1dxr h GLU 327 Ca -0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1dxr h GLU 327 Cb 0.05 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1dxr h GLU 327 CO 0.00 0.05 0.00 1.28 -1.40 0.00 0.00 179.01 178.95 1dxr n LEU 328 N -4.30 2.08 0.00 1.33 4.77 -0.66 -4.90 117.00 115.32 1dxr n LEU 328 Ca 0.23 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 1dxr n LEU 328 Cb 1.07 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 1dxr n LEU 328 CO 0.37 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1dxr n GLY 329 N 1.22 2.54 3.77 -0.72 0.00 0.15 -3.64 105.19 108.51 1dxr n GLY 329 Ca 0.17 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 1dxr n GLY 329 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dxr s PRO 330 N -2.53 4.10 -0.42 1.61 0.04 -1.26 -4.65 135.00 131.89 1dxr s PRO 330 Ca 0.00 2.10 -0.15 0.00 0.04 0.00 0.00 61.00 62.99 1dxr s PRO 330 Cb 0.00 -2.83 0.03 0.00 0.04 0.00 0.00 34.50 31.74 1dxr s PRO 330 CO 0.00 -0.36 0.32 0.42 0.04 0.00 0.00 177.00 177.42 1dxr s ILE 331 N -1.26 5.25 -2.00 0.56 -1.09 -1.26 -4.98 121.20 116.43 1dxr s ILE 331 Ca 0.55 -0.74 0.28 0.00 -2.23 0.00 0.00 60.65 58.50 1dxr s ILE 331 Cb -0.37 -3.97 0.79 0.00 -1.58 0.00 0.00 42.46 37.33 1dxr s ILE 331 CO 0.48 -0.36 2.00 2.29 -1.23 0.00 0.00 174.94 178.11