#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bwj h GLU 6 N 0.00 0.25 -0.03 2.12 4.22 -1.98 0.46 114.58 119.62 2bwj h GLU 6 Ca 0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.42 2bwj h GLU 6 Cb 0.00 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2bwj h GLU 6 CO 0.00 0.19 0.02 -0.44 -2.18 0.00 0.00 179.01 176.60 2bwj h ASP 7 N 0.25 0.05 0.00 1.04 3.32 -1.99 -2.55 116.42 116.54 2bwj h ASP 7 Ca 0.07 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2bwj h ASP 7 Cb 0.03 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2bwj h ASP 7 CO -0.01 0.17 0.00 0.18 -1.72 0.00 0.00 179.24 177.86 2bwj n LEU 8 N -4.99 0.00 -0.02 1.55 4.32 0.56 -2.03 117.00 116.38 2bwj n LEU 8 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 2bwj n LEU 8 Cb 0.09 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.76 2bwj n LEU 8 CO 0.33 0.00 -0.72 0.54 -1.22 0.00 0.00 177.39 176.33 2bwj n ARG 9 N -0.88 0.66 -1.02 3.23 1.74 0.13 -4.44 116.66 116.08 2bwj n ARG 9 Ca 0.16 0.02 -0.20 0.00 -0.77 0.00 0.00 57.85 57.06 2bwj n ARG 9 Cb 0.07 -1.63 0.15 0.00 -1.02 0.00 0.00 32.46 30.04 2bwj n ARG 9 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2bwj n LYS 10 N -2.65 2.04 -4.11 5.56 4.76 -0.86 -4.92 118.16 117.97 2bwj n LYS 10 Ca -0.16 -2.50 -0.10 0.00 -2.87 0.00 0.00 58.31 52.68 2bwj n LYS 10 Cb 0.86 -1.98 -0.09 0.00 -1.84 0.00 0.00 35.03 31.98 2bwj n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bwj s LYS 12 N -4.04 4.28 -0.18 0.00 -0.14 -1.26 -4.97 119.74 113.43 2bwj s LYS 12 Ca 0.24 1.75 0.01 0.00 -1.36 0.00 0.00 55.97 56.60 2bwj s LYS 12 Cb 0.06 -3.67 0.01 0.00 -1.68 0.00 0.00 37.83 32.55 2bwj s LYS 12 CO 0.02 -0.60 -0.18 0.42 -0.76 0.00 0.00 175.35 174.25 2bwj s ILE 13 N 2.90 2.26 -0.12 2.17 1.01 -1.26 -0.38 121.20 127.78 2bwj s ILE 13 Ca 0.58 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 60.37 2bwj s ILE 13 Cb -0.25 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.28 2bwj s ILE 13 CO 0.20 0.53 -0.19 -0.63 0.00 0.00 0.00 174.94 174.85 2bwj s ILE 14 N 1.20 1.77 -0.09 2.92 1.01 0.56 -1.14 121.20 127.43 2bwj s ILE 14 Ca 0.02 -0.81 -0.15 0.00 0.00 0.00 0.00 60.65 59.71 2bwj s ILE 14 Cb -0.14 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 2bwj s ILE 14 CO -0.09 0.49 0.38 -0.36 0.00 0.00 0.00 174.94 175.37 2bwj s PHE 15 N 0.89 3.57 -0.09 3.97 0.08 -0.25 -0.08 117.98 126.07 2bwj s PHE 15 Ca -0.07 0.81 0.03 0.00 0.12 0.00 0.00 56.93 57.82 2bwj s PHE 15 Cb -0.15 -2.38 0.01 0.00 -0.57 0.00 0.00 43.02 39.93 2bwj s PHE 15 CO -0.01 0.37 -0.18 -1.50 -0.10 0.00 0.00 175.22 173.79 2bwj s ILE 16 N -0.04 1.62 -0.03 0.64 2.07 0.04 -0.44 121.20 125.06 2bwj s ILE 16 Ca 0.22 -0.75 0.04 0.00 -1.41 0.00 0.00 60.65 58.75 2bwj s ILE 16 Cb -0.15 -1.44 -0.00 0.00 0.13 0.00 0.00 42.46 41.00 2bwj s ILE 16 CO 0.09 0.46 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.82 2bwj s ILE 17 N 0.64 1.10 -0.25 2.00 -1.09 0.04 -1.01 121.20 122.63 2bwj s ILE 17 Ca -0.14 -0.55 -0.29 0.00 -2.23 0.00 0.00 60.65 57.45 2bwj s ILE 17 Cb -0.16 -0.95 0.17 0.00 -1.58 0.00 0.00 42.46 39.94 2bwj s ILE 17 CO 0.04 0.32 1.25 -0.83 -1.23 0.00 0.00 174.94 174.49 2bwj s GLY 18 N 0.00 0.00 0.81 6.18 0.00 -1.26 -0.37 107.32 112.68 2bwj s GLY 18 Ca -0.01 2.66 -0.11 0.00 0.00 0.00 0.00 44.72 47.26 2bwj s GLY 18 CO 0.01 1.20 1.13 -0.32 0.00 0.00 0.00 173.10 175.11 2bwj s GLY 19 N -0.89 1.80 0.27 0.20 0.00 -1.26 -4.89 107.32 102.56 2bwj s GLY 19 Ca 0.05 0.49 -0.30 0.00 0.00 0.00 0.00 44.72 44.96 2bwj s GLY 19 CO -0.06 0.87 1.43 2.56 0.00 0.00 0.00 173.10 177.90 2bwj s PRO 20 N -4.62 4.26 0.00 2.90 0.04 -1.26 -0.97 135.00 135.35 2bwj s PRO 20 Ca 0.65 2.32 0.00 0.00 0.04 0.00 0.00 61.00 64.01 2bwj s PRO 20 Cb -0.21 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2bwj s PRO 20 CO 0.54 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.59 2bwj n GLY 21 N 1.84 0.91 0.14 0.56 0.00 -1.26 -4.80 105.19 102.58 2bwj n GLY 21 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 2bwj n GLY 21 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bwj h SER 22 N 0.00 0.00 0.00 1.61 4.64 -1.40 -3.42 113.55 114.98 2bwj h SER 22 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bwj h SER 22 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2bwj h SER 22 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2bwj n GLY 23 N 0.83 0.87 0.28 -0.77 0.00 -1.26 -4.85 105.19 100.29 2bwj n GLY 23 Ca 0.04 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 2bwj n GLY 23 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2bwj h LYS 24 N 2.04 0.83 -0.52 1.61 3.64 -1.91 -2.07 116.57 120.19 2bwj h LYS 24 Ca 0.00 -0.26 0.04 0.00 -1.27 0.00 0.00 60.65 59.16 2bwj h LYS 24 Cb 0.00 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 2bwj h LYS 24 CO 0.00 0.87 0.28 0.78 -2.27 0.00 0.00 179.45 179.11 2bwj h GLY 25 N 0.98 0.74 1.30 5.01 0.00 -1.97 -0.85 103.07 108.27 2bwj h GLY 25 Ca 0.14 -0.20 -0.24 0.00 0.00 0.00 0.00 47.33 47.02 2bwj h GLY 25 CO 0.03 0.14 -0.92 -0.91 0.00 0.00 0.00 176.54 174.89 2bwj h THR 26 N 0.55 1.31 -0.66 4.70 1.35 -1.97 -2.84 112.91 115.36 2bwj h THR 26 Ca 0.22 -2.19 -0.00 0.00 -0.55 0.00 0.00 66.41 63.89 2bwj h THR 26 Cb 0.10 2.24 -0.03 0.00 -1.73 0.00 0.00 68.15 68.73 2bwj h THR 26 CO -0.14 0.68 0.39 1.56 -0.25 0.00 0.00 175.52 177.76 2bwj h GLN 27 N 0.40 0.89 -0.54 4.72 1.08 -1.13 -2.32 115.11 118.21 2bwj h GLN 27 Ca -0.09 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 56.93 2bwj h GLN 27 Cb 1.55 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 28.78 2bwj h GLN 27 CO 0.18 0.62 -0.06 0.00 -0.95 0.00 0.00 178.83 178.62 2bwj h GLU 29 N 0.89 0.65 -0.20 0.00 5.08 -1.22 -1.70 114.58 118.08 2bwj h GLU 29 Ca 0.15 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.29 2bwj h GLU 29 Cb 0.61 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2bwj h GLU 29 CO 0.04 0.43 -0.60 0.87 -1.00 0.00 0.00 179.01 178.75 2bwj h LYS 30 N 0.67 0.65 -0.41 2.33 1.57 -0.89 -1.33 116.57 119.17 2bwj h LYS 30 Ca 0.29 -0.44 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 2bwj h LYS 30 Cb 0.16 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2bwj h LYS 30 CO -0.17 1.06 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.61 2bwj h LEU 31 N 0.49 0.70 0.10 2.94 3.38 -1.04 -0.70 115.31 121.17 2bwj h LEU 31 Ca -0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2bwj h LEU 31 Cb 1.17 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2bwj h LEU 31 CO 0.12 0.82 -0.05 0.58 0.09 0.00 0.00 178.44 180.00 2bwj h VAL 32 N 0.66 1.06 -0.75 1.22 2.07 -1.15 0.15 116.25 119.51 2bwj h VAL 32 Ca 0.12 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.11 2bwj h VAL 32 Cb 0.53 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 2bwj h VAL 32 CO 0.03 0.14 0.44 -0.08 0.02 0.00 0.00 177.57 178.13 2bwj h GLU 33 N -0.41 0.79 0.29 1.57 4.22 -1.06 0.25 114.58 120.24 2bwj h GLU 33 Ca -0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 2bwj h GLU 33 Cb 0.34 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2bwj h GLU 33 CO 0.02 0.52 -0.14 -0.22 -2.18 0.00 0.00 179.01 177.01 2bwj h LYS 34 N 0.81 -0.38 0.00 1.92 3.64 -1.08 -3.39 116.57 118.10 2bwj h LYS 34 Ca 0.33 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2bwj h LYS 34 Cb 0.17 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2bwj h LYS 34 CO -0.17 -0.24 -0.50 0.66 -2.27 0.00 0.00 179.45 176.92 2bwj n TYR 35 N -5.04 0.13 -2.13 1.91 4.01 0.52 -4.97 117.16 111.59 2bwj n TYR 35 Ca -0.05 0.04 -0.13 0.00 -0.16 0.00 0.00 57.90 57.59 2bwj n TYR 35 Cb 0.16 -0.36 -0.01 0.00 -0.31 0.00 0.00 39.34 38.82 2bwj n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bwj n GLY 36 N 1.46 0.05 3.78 2.72 0.00 0.89 -4.85 105.19 109.24 2bwj n GLY 36 Ca 0.05 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 2bwj n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bwj s PHE 37 N -2.65 2.72 -0.47 1.61 0.08 -1.25 -4.09 117.98 113.93 2bwj s PHE 37 Ca 0.00 1.55 -0.24 0.00 0.12 0.00 0.00 56.93 58.36 2bwj s PHE 37 Cb 0.00 -3.20 0.03 0.00 -0.57 0.00 0.00 43.02 39.28 2bwj s PHE 37 CO 0.00 -1.49 0.84 0.99 -0.10 0.00 0.00 175.22 175.46 2bwj s THR 38 N -2.03 4.57 -0.36 0.64 2.01 0.10 -4.76 115.64 115.80 2bwj s THR 38 Ca 0.70 0.45 -0.25 0.00 0.31 0.00 0.00 61.69 62.89 2bwj s THR 38 Cb -0.21 -4.39 0.01 0.00 0.01 0.00 0.00 72.50 67.92 2bwj s THR 38 CO 0.32 -0.82 0.87 -2.28 -0.69 0.00 0.00 174.62 172.02 2bwj s HIS 39 N 3.49 3.10 -0.00 4.92 2.46 -1.26 -1.26 115.29 126.73 2bwj s HIS 39 Ca 0.31 0.70 0.07 0.00 0.47 0.00 0.00 55.06 56.62 2bwj s HIS 39 Cb -0.12 -3.54 -0.03 0.00 -0.13 0.00 0.00 32.58 28.77 2bwj s HIS 39 CO 0.23 -0.78 -0.22 -0.51 -2.47 0.00 0.00 174.74 170.99 2bwj s LEU 40 N 3.32 2.34 0.02 8.88 1.43 -0.06 -4.98 118.68 129.62 2bwj s LEU 40 Ca 0.36 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2bwj s LEU 40 Cb -0.12 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 2bwj s LEU 40 CO 0.18 0.30 -0.01 -0.94 0.23 0.00 0.00 176.35 176.11 2bwj s SER 41 N -0.91 0.22 0.43 2.29 1.04 -1.26 -1.00 113.70 114.51 2bwj s SER 41 Ca 0.12 -0.48 0.09 0.00 0.48 0.00 0.00 55.95 56.16 2bwj s SER 41 Cb -0.10 0.12 0.93 0.00 0.10 0.00 0.00 66.02 67.07 2bwj s SER 41 CO 0.01 -0.32 2.07 0.71 0.98 0.00 0.00 173.24 176.69 2bwj h THR 42 N 4.55 1.09 -0.35 2.02 1.35 -1.94 -1.76 112.91 117.87 2bwj h THR 42 Ca -0.32 -0.18 -0.09 0.00 -0.55 0.00 0.00 66.41 65.27 2bwj h THR 42 Cb 1.21 0.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 2bwj h THR 42 CO 0.42 0.09 -0.14 1.23 -0.25 0.00 0.00 175.52 176.87 2bwj h GLY 43 N 0.46 0.76 1.42 5.82 0.00 -1.96 0.11 103.07 109.68 2bwj h GLY 43 Ca 0.12 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.63 2bwj h GLY 43 CO -0.02 0.61 -0.47 -2.09 0.00 0.00 0.00 176.54 174.57 2bwj h GLU 44 N 0.49 0.62 -0.54 4.80 4.57 -1.94 -1.10 114.58 121.48 2bwj h GLU 44 Ca 0.08 -0.35 -0.11 0.00 -1.18 0.00 0.00 59.36 57.80 2bwj h GLU 44 Cb 0.67 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.26 2bwj h GLU 44 CO 0.04 0.96 -0.07 -0.07 -1.18 0.00 0.00 179.01 178.69 2bwj h LEU 45 N 0.50 1.00 -0.56 1.64 3.38 -1.08 -1.13 115.31 119.06 2bwj h LEU 45 Ca 0.03 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2bwj h LEU 45 Cb 1.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2bwj h LEU 45 CO 0.09 1.10 0.18 -0.07 0.09 0.00 0.00 178.44 179.84 2bwj h LEU 46 N 0.89 0.82 -0.71 1.67 3.38 -0.69 -1.70 115.31 118.96 2bwj h LEU 46 Ca 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2bwj h LEU 46 Cb 0.63 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2bwj h LEU 46 CO 0.04 0.80 0.38 -0.09 0.09 0.00 0.00 178.44 179.66 2bwj h ARG 47 N 0.79 1.01 -0.27 1.13 2.43 -1.01 0.15 114.38 118.60 2bwj h ARG 47 Ca 0.18 -0.13 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 2bwj h ARG 47 Cb 0.27 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2bwj h ARG 47 CO -0.01 0.76 -0.38 1.49 -1.51 0.00 0.00 179.97 180.32 2bwj h GLU 48 N 0.99 0.74 -0.54 0.20 4.81 -1.14 -2.20 114.58 117.43 2bwj h GLU 48 Ca 0.25 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 2bwj h GLU 48 Cb 0.06 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2bwj h GLU 48 CO -0.04 1.05 0.29 1.49 -0.73 0.00 0.00 179.01 181.08 2bwj h GLU 49 N 0.48 0.75 0.00 1.92 4.57 -1.01 -2.57 114.58 118.72 2bwj h GLU 49 Ca 0.03 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2bwj h GLU 49 Cb 0.97 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.42 2bwj h GLU 49 CO 0.09 0.59 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.36 2bwj h LEU 50 N 0.72 0.00 -0.75 1.64 3.38 -0.81 -0.05 115.31 119.43 2bwj h LEU 50 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2bwj h LEU 50 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2bwj h LEU 50 CO -0.03 0.08 -0.03 0.00 0.09 0.00 0.00 178.44 178.55 2bwj n ALA 51 N -2.28 2.65 0.67 1.53 0.00 -0.84 -4.33 120.51 117.91 2bwj n ALA 51 Ca -0.02 -0.40 0.12 0.00 0.00 0.00 0.00 53.44 53.14 2bwj n ALA 51 Cb 0.19 -1.22 0.26 0.00 0.00 0.00 0.00 19.45 18.69 2bwj n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bwj n SER 52 N -0.12 0.65 0.00 0.00 3.41 -0.03 -4.95 113.62 112.57 2bwj n SER 52 Ca 0.19 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2bwj n SER 52 Cb 0.32 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2bwj n SER 52 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bwj n GLU 53 N -2.02 -1.65 -1.32 4.33 1.02 -1.26 -5.00 120.64 114.75 2bwj n GLU 53 Ca 0.04 0.41 -0.34 0.00 -0.02 0.00 0.00 57.16 57.26 2bwj n GLU 53 Cb 0.42 -4.68 0.10 0.00 -0.02 0.00 0.00 31.44 27.26 2bwj n GLU 53 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2bwj s SER 54 N -2.00 4.01 0.42 1.62 1.04 -1.26 -4.90 113.70 112.63 2bwj s SER 54 Ca 0.00 2.32 0.09 0.00 0.48 0.00 0.00 55.95 58.85 2bwj s SER 54 Cb 0.00 -2.58 0.93 0.00 0.10 0.00 0.00 66.02 64.47 2bwj s SER 54 CO 0.00 -2.38 2.04 -0.33 0.98 0.00 0.00 173.24 173.55 2bwj h GLU 55 N -0.55 0.47 -0.79 4.02 4.39 -1.99 -1.97 114.58 118.16 2bwj h GLU 55 Ca -0.47 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.16 2bwj h GLU 55 Cb 1.29 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 2bwj h GLU 55 CO 0.49 0.31 0.31 -0.09 -1.16 0.00 0.00 179.01 178.87 2bwj h ARG 56 N 0.49 1.19 0.00 2.33 2.43 -1.98 -1.88 114.38 116.95 2bwj h ARG 56 Ca 0.18 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2bwj h ARG 56 Cb 0.12 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2bwj h ARG 56 CO -0.04 0.97 -0.16 0.66 -1.51 0.00 0.00 179.97 179.89 2bwj h SER 57 N 1.16 0.00 0.50 -3.80 4.64 -1.63 -1.33 113.55 113.09 2bwj h SER 57 Ca 0.26 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.37 2bwj h SER 57 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2bwj h SER 57 CO -0.02 0.16 -0.91 0.11 -0.87 0.00 0.00 176.83 175.30 2bwj h LYS 58 N 0.00 0.27 0.15 4.77 1.57 -1.04 0.14 116.57 122.43 2bwj h LYS 58 Ca -0.00 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 2bwj h LYS 58 Cb 0.28 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2bwj h LYS 58 CO 0.02 1.01 -0.07 1.25 -0.57 0.00 0.00 179.45 181.09 2bwj h LEU 59 N 0.15 -0.17 -0.79 2.94 5.85 -0.88 -0.28 115.31 122.13 2bwj h LEU 59 Ca -0.06 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2bwj h LEU 59 Cb 1.54 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.57 2bwj h LEU 59 CO 0.15 -0.05 0.51 0.40 -0.34 0.00 0.00 178.44 179.11 2bwj h ILE 60 N -0.29 1.15 -0.41 4.05 2.04 -1.19 -2.21 117.51 120.65 2bwj h ILE 60 Ca -0.02 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2bwj h ILE 60 Cb 0.23 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 2bwj h ILE 60 CO 0.03 0.18 0.16 -0.09 0.00 0.00 0.00 178.15 178.44 2bwj h ARG 61 N 1.01 0.61 -0.57 2.37 2.43 -0.88 -0.45 114.38 118.89 2bwj h ARG 61 Ca 0.31 -0.11 0.10 0.00 -0.81 0.00 0.00 59.98 59.47 2bwj h ARG 61 Cb -0.03 -0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 29.34 2bwj h ARG 61 CO -0.10 0.57 0.15 -0.44 -1.51 0.00 0.00 179.97 178.64 2bwj h ASP 62 N 0.51 0.06 -0.19 -3.80 3.32 -0.74 0.14 116.42 115.71 2bwj h ASP 62 Ca 0.14 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 2bwj h ASP 62 Cb 0.19 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2bwj h ASP 62 CO -0.01 0.05 0.03 0.40 -1.72 0.00 0.00 179.24 177.98 2bwj h ILE 63 N 0.29 1.23 0.00 0.35 2.04 -1.14 -3.19 117.51 117.09 2bwj h ILE 63 Ca 0.29 -0.76 -0.10 0.00 1.00 0.00 0.00 64.86 65.30 2bwj h ILE 63 Cb 0.41 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2bwj h ILE 63 CO -0.36 0.23 -0.47 0.24 0.00 0.00 0.00 178.15 177.80 2bwj h MET 64 N 0.11 0.00 0.00 2.37 2.86 -0.71 -1.45 114.93 118.11 2bwj h MET 64 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2bwj h MET 64 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2bwj h MET 64 CO 0.00 0.47 0.00 0.93 1.06 0.00 0.00 176.91 179.38 2bwj h GLU 65 N 0.00 0.00 -0.00 1.72 5.08 -0.75 -1.51 114.58 119.12 2bwj h GLU 65 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bwj h GLU 65 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2bwj h GLU 65 CO 0.06 0.00 -0.48 0.54 -1.00 0.00 0.00 179.01 178.13 2bwj n ARG 66 N -2.98 0.21 -1.11 2.33 1.74 -0.87 -4.94 116.66 111.05 2bwj n ARG 66 Ca -0.01 -0.13 -0.04 0.00 -0.77 0.00 0.00 57.85 56.91 2bwj n ARG 66 Cb 0.20 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.13 2bwj n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bwj n GLY 67 N 1.46 0.66 3.91 -0.13 0.00 -0.57 -5.03 105.19 105.50 2bwj n GLY 67 Ca 0.07 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 2bwj n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bwj s ASP 68 N -2.58 5.34 -0.07 1.61 1.01 -0.60 -4.99 116.67 116.38 2bwj s ASP 68 Ca 0.00 0.74 -0.30 0.00 0.71 0.00 0.00 52.55 53.70 2bwj s ASP 68 Cb 0.00 -1.59 -0.04 0.00 1.01 0.00 0.00 42.92 42.30 2bwj s ASP 68 CO 0.00 -1.28 1.32 -0.22 0.21 0.00 0.00 175.17 175.20 2bwj s LEU 69 N -5.15 4.27 -0.23 1.23 2.96 -1.26 -4.47 118.68 116.03 2bwj s LEU 69 Ca 0.56 1.91 -0.28 0.00 -0.22 0.00 0.00 54.13 56.11 2bwj s LEU 69 Cb -0.11 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.04 2bwj s LEU 69 CO 0.46 -0.70 0.97 -0.69 -1.32 0.00 0.00 176.35 175.07 2bwj s VAL 70 N 2.77 4.73 0.30 1.68 1.01 -1.26 -5.00 120.40 124.64 2bwj s VAL 70 Ca 0.59 1.88 -0.28 0.00 0.00 0.00 0.00 61.98 64.17 2bwj s VAL 70 Cb -0.27 -4.25 -0.13 0.00 0.00 0.00 0.00 36.38 31.73 2bwj s VAL 70 CO 0.22 -0.15 1.18 -2.65 0.00 0.00 0.00 175.10 173.70 2bwj n PRO 71 N 6.22 1.77 -0.04 2.72 -0.02 -1.26 -4.84 135.00 139.55 2bwj n PRO 71 Ca 0.10 0.62 0.09 0.00 -2.02 0.00 0.00 63.50 62.30 2bwj n PRO 71 Cb 0.46 -2.12 0.49 0.00 -0.02 0.00 0.00 33.50 32.31 2bwj n PRO 71 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2bwj h SER 72 N 2.51 0.38 -1.00 2.55 4.64 -2.00 -1.54 113.55 119.09 2bwj h SER 72 Ca -0.43 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.92 2bwj h SER 72 Cb 1.31 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 2bwj h SER 72 CO 0.63 0.24 0.66 1.23 -0.87 0.00 0.00 176.83 178.72 2bwj h GLY 73 N 0.43 1.44 0.87 -0.77 0.00 -1.98 0.21 103.07 103.26 2bwj h GLY 73 Ca 0.22 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2bwj h GLY 73 CO -0.06 0.46 0.06 -2.22 0.00 0.00 0.00 176.54 174.78 2bwj h ILE 74 N 1.29 1.18 -0.90 2.60 5.03 -1.63 -0.60 117.51 124.49 2bwj h ILE 74 Ca 0.39 -0.55 0.02 0.00 -0.12 0.00 0.00 64.86 64.59 2bwj h ILE 74 Cb -0.06 1.20 -0.05 0.00 -3.03 0.00 0.00 36.82 34.89 2bwj h ILE 74 CO -0.11 0.17 0.59 0.58 -0.68 0.00 0.00 178.15 178.70 2bwj h VAL 75 N 0.12 1.20 -0.35 1.67 2.07 -1.36 -2.16 116.25 117.46 2bwj h VAL 75 Ca 0.06 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 2bwj h VAL 75 Cb 0.21 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 2bwj h VAL 75 CO -0.00 0.22 -0.19 0.25 0.02 0.00 0.00 177.57 177.86 2bwj h LEU 76 N 1.18 0.64 -0.64 2.57 5.85 -0.72 -2.21 115.31 121.98 2bwj h LEU 76 Ca 0.34 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2bwj h LEU 76 Cb -0.09 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 2bwj h LEU 76 CO -0.09 0.84 0.36 -0.33 -0.34 0.00 0.00 178.44 178.88 2bwj h GLU 77 N 0.58 0.89 -0.81 1.25 4.39 -0.55 -1.68 114.58 118.64 2bwj h GLU 77 Ca 0.09 -0.10 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2bwj h GLU 77 Cb 0.64 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 2bwj h GLU 77 CO 0.05 0.66 0.53 -0.07 -1.16 0.00 0.00 179.01 179.02 2bwj h LEU 78 N 0.87 0.91 -0.39 1.33 3.38 -1.10 -0.39 115.31 119.92 2bwj h LEU 78 Ca 0.23 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2bwj h LEU 78 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2bwj h LEU 78 CO -0.04 0.65 0.17 0.25 0.09 0.00 0.00 178.44 179.57 2bwj h LEU 79 N 1.07 0.52 -0.49 1.67 5.85 -1.22 -0.83 115.31 121.89 2bwj h LEU 79 Ca 0.30 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2bwj h LEU 79 Cb -0.10 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 2bwj h LEU 79 CO -0.08 0.52 0.30 0.50 -0.34 0.00 0.00 178.44 179.34 2bwj h LYS 80 N 0.49 0.58 -0.59 1.25 3.64 -0.96 -1.37 116.57 119.61 2bwj h LYS 80 Ca 0.13 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 2bwj h LYS 80 Cb 0.15 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2bwj h LYS 80 CO -0.01 0.38 0.03 0.93 -2.27 0.00 0.00 179.45 178.51 2bwj h GLU 81 N 0.60 0.99 -0.73 1.90 5.08 -0.81 0.53 114.58 122.14 2bwj h GLU 81 Ca 0.19 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2bwj h GLU 81 Cb -0.00 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2bwj h GLU 81 CO -0.08 0.95 0.25 0.00 -1.00 0.00 0.00 179.01 179.13 2bwj h ALA 82 N 1.11 0.96 -0.16 3.43 0.00 -1.00 -0.46 119.26 123.14 2bwj h ALA 82 Ca 0.17 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2bwj h ALA 82 Cb 0.49 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2bwj h ALA 82 CO 0.02 0.63 -0.51 0.52 0.00 0.00 0.00 179.25 179.91 2bwj h MET 83 N 1.08 0.63 -0.92 0.00 2.86 -0.83 -2.45 114.93 115.29 2bwj h MET 83 Ca 0.24 -0.46 0.01 0.00 -2.06 0.00 0.00 59.70 57.43 2bwj h MET 83 Cb 0.28 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 2bwj h MET 83 CO -0.01 1.08 0.61 0.28 1.06 0.00 0.00 176.91 179.93 2bwj h VAL 84 N 0.29 1.23 0.00 -2.22 2.07 0.17 -1.72 116.25 116.07 2bwj h VAL 84 Ca -0.02 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 2bwj h VAL 84 Cb 1.14 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2bwj h VAL 84 CO 0.11 0.23 -0.34 0.00 0.02 0.00 0.00 177.57 177.59 2bwj h ALA 85 N 1.34 1.10 -0.02 1.67 0.00 -1.03 -3.02 119.26 119.30 2bwj h ALA 85 Ca 0.34 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2bwj h ALA 85 Cb -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2bwj h ALA 85 CO -0.08 0.43 -0.37 0.45 0.00 0.00 0.00 179.25 179.68 2bwj n SER 86 N -3.64 2.16 -4.75 0.00 2.88 -0.93 -4.94 113.62 104.41 2bwj n SER 86 Ca -0.01 -1.58 -0.37 0.00 -1.33 0.00 0.00 58.87 55.59 2bwj n SER 86 Cb 0.45 0.36 0.03 0.00 -0.75 0.00 0.00 64.21 64.31 2bwj n SER 86 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2bwj s LEU 87 N -2.38 3.72 0.00 2.46 1.43 -0.68 -2.34 118.68 120.90 2bwj s LEU 87 Ca 0.21 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 2bwj s LEU 87 Cb 0.19 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.89 2bwj s LEU 87 CO 0.51 -1.55 0.00 0.61 0.23 0.00 0.00 176.35 176.15 2bwj n GLY 88 N 0.57 2.21 0.68 -3.19 0.00 -1.26 -4.65 105.19 99.54 2bwj n GLY 88 Ca 0.13 -0.57 0.04 0.00 0.00 0.00 0.00 46.02 45.61 2bwj n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bwj n ASP 89 N 3.56 1.91 -4.89 1.61 5.68 -1.23 -4.94 116.55 118.26 2bwj n ASP 89 Ca 0.00 -2.11 -0.32 0.00 -0.50 0.00 0.00 54.79 51.86 2bwj n ASP 89 Cb 0.00 -0.31 -0.05 0.00 -1.14 0.00 0.00 41.12 39.63 2bwj n ASP 89 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2bwj s THR 90 N -1.64 5.18 -1.52 2.12 -1.32 -0.99 -4.96 115.64 112.52 2bwj s THR 90 Ca 0.20 0.12 0.22 0.00 -1.21 0.00 0.00 61.69 61.02 2bwj s THR 90 Cb 0.12 -3.62 -0.08 0.00 -1.51 0.00 0.00 72.50 67.40 2bwj s THR 90 CO 0.11 0.13 1.06 0.54 -2.21 0.00 0.00 174.62 174.25 2bwj n ARG 91 N 0.39 0.60 0.00 7.08 5.12 -1.26 -5.06 116.66 123.54 2bwj n ARG 91 Ca -0.05 -0.49 0.00 0.00 -1.93 0.00 0.00 57.85 55.39 2bwj n ARG 91 Cb 0.52 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 2bwj n ARG 91 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bwj n GLY 92 N 1.45 3.85 3.49 -0.13 0.00 -1.26 -4.71 105.19 107.87 2bwj n GLY 92 Ca 0.07 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 2bwj n GLY 92 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bwj s PHE 93 N -2.00 3.00 -0.42 1.61 0.08 0.49 -0.72 117.98 120.02 2bwj s PHE 93 Ca 0.00 -0.32 -0.06 0.00 0.12 0.00 0.00 56.93 56.67 2bwj s PHE 93 Cb 0.00 -1.94 0.11 0.00 -0.57 0.00 0.00 43.02 40.62 2bwj s PHE 93 CO 0.00 -0.04 0.24 -1.17 -0.10 0.00 0.00 175.22 174.15 2bwj s LEU 94 N 0.33 5.31 -0.24 -0.37 2.96 -0.39 -0.32 118.68 125.96 2bwj s LEU 94 Ca -0.05 -1.89 -0.10 0.00 -0.22 0.00 0.00 54.13 51.87 2bwj s LEU 94 Cb -0.14 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 2bwj s LEU 94 CO 0.03 -0.58 0.16 -0.63 -1.32 0.00 0.00 176.35 174.02 2bwj s ILE 95 N 1.25 5.32 -0.24 6.68 1.01 0.89 -0.89 121.20 135.22 2bwj s ILE 95 Ca 0.06 0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.87 2bwj s ILE 95 Cb -0.24 -3.49 0.03 0.00 0.01 0.00 0.00 42.46 38.78 2bwj s ILE 95 CO -0.02 0.34 -0.08 -0.62 0.00 0.00 0.00 174.94 174.56 2bwj s ASP 96 N 1.12 4.24 0.00 3.58 2.15 -0.17 -0.78 116.67 126.81 2bwj s ASP 96 Ca 0.07 -0.92 0.00 0.00 0.43 0.00 0.00 52.55 52.13 2bwj s ASP 96 Cb -0.14 -1.64 0.00 0.00 -0.30 0.00 0.00 42.92 40.85 2bwj s ASP 96 CO 0.05 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.53 2bwj n GLY 97 N 4.64 0.41 3.18 2.66 0.00 -0.18 -4.52 105.19 111.37 2bwj n GLY 97 Ca -0.16 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 2bwj n GLY 97 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bwj s TYR 98 N -2.00 -0.32 0.72 1.61 5.04 -1.26 -4.54 117.35 116.60 2bwj s TYR 98 Ca 0.00 0.78 -0.07 0.00 -2.44 0.00 0.00 57.07 55.33 2bwj s TYR 98 Cb 0.00 0.11 0.06 0.00 0.35 0.00 0.00 41.96 42.48 2bwj s TYR 98 CO 0.00 -0.15 1.03 -1.25 -1.34 0.00 0.00 175.55 173.84 2bwj s PRO 99 N 0.16 2.17 0.00 4.97 0.04 -1.26 -4.69 135.00 136.39 2bwj s PRO 99 Ca -0.00 -0.21 0.10 0.00 0.04 0.00 0.00 61.00 60.93 2bwj s PRO 99 Cb -0.02 -2.15 0.10 0.00 0.04 0.00 0.00 34.50 32.47 2bwj s PRO 99 CO 0.00 -1.28 0.86 0.54 0.04 0.00 0.00 177.00 177.17 2bwj n ARG 100 N -2.96 0.65 -3.76 4.56 5.12 -1.26 -4.97 116.66 114.04 2bwj n ARG 100 Ca 0.08 -1.20 -0.12 0.00 -1.93 0.00 0.00 57.85 54.69 2bwj n ARG 100 Cb 0.61 -1.20 -0.07 0.00 -1.16 0.00 0.00 32.46 30.63 2bwj n ARG 100 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2bwj s GLU 101 N -0.88 0.80 0.25 5.56 -1.05 -1.26 -4.57 118.70 117.55 2bwj s GLU 101 Ca 0.13 -0.50 -0.05 0.00 -0.15 0.00 0.00 54.97 54.40 2bwj s GLU 101 Cb 0.09 0.34 0.28 0.00 -0.44 0.00 0.00 34.13 34.41 2bwj s GLU 101 CO 0.13 -0.25 1.89 0.28 0.95 0.00 0.00 175.26 178.26 2bwj h VAL 102 N 3.26 1.25 0.00 1.83 2.07 -1.93 -2.55 116.25 120.18 2bwj h VAL 102 Ca -0.32 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 2bwj h VAL 102 Cb 1.20 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2bwj h VAL 102 CO 0.46 0.27 -0.12 0.07 0.02 0.00 0.00 177.57 178.26 2bwj h LYS 103 N 1.22 0.00 -0.22 1.57 -0.00 -1.99 -1.07 116.57 116.07 2bwj h LYS 103 Ca 0.31 0.00 -0.19 0.00 -0.00 0.00 0.00 60.65 60.77 2bwj h LYS 103 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.22 2bwj h LYS 103 CO -0.05 0.12 -0.61 1.96 -0.00 0.00 0.00 179.45 180.87 2bwj h GLN 104 N 0.00 0.81 -0.45 0.07 4.20 -1.88 -2.12 115.11 115.74 2bwj h GLN 104 Ca -0.00 -0.57 -0.10 0.00 0.06 0.00 0.00 58.65 58.04 2bwj h GLN 104 Cb 0.30 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2bwj h GLN 104 CO 0.02 1.19 -0.11 0.78 -0.67 0.00 0.00 178.83 180.04 2bwj h GLY 105 N 0.56 0.88 0.83 3.46 0.00 -1.33 -0.88 103.07 106.59 2bwj h GLY 105 Ca -0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 2bwj h GLY 105 CO 0.13 0.62 0.03 0.83 0.00 0.00 0.00 176.54 178.15 2bwj h GLU 106 N 0.74 0.21 -0.74 4.80 5.08 -1.17 -1.35 114.58 122.14 2bwj h GLU 106 Ca 0.12 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2bwj h GLU 106 Cb 0.60 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2bwj h GLU 106 CO 0.04 0.36 0.32 1.49 -1.00 0.00 0.00 179.01 180.22 2bwj h GLU 107 N 0.02 1.09 -0.45 2.33 4.57 -1.39 -1.30 114.58 119.44 2bwj h GLU 107 Ca 0.04 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 2bwj h GLU 107 Cb 0.25 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2bwj h GLU 107 CO -0.00 0.86 0.26 0.35 -1.18 0.00 0.00 179.01 179.30 2bwj h PHE 108 N 1.07 0.61 -0.20 0.92 3.57 -1.08 0.15 116.94 121.98 2bwj h PHE 108 Ca 0.25 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 2bwj h PHE 108 Cb 0.17 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2bwj h PHE 108 CO 0.02 0.45 -0.11 0.78 -2.23 0.00 0.00 178.31 177.22 2bwj h GLY 109 N 0.59 0.35 0.59 2.40 0.00 -0.94 0.25 103.07 106.31 2bwj h GLY 109 Ca 0.16 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 2bwj h GLY 109 CO -0.03 0.20 -0.27 -0.09 0.00 0.00 0.00 176.54 176.35 2bwj h ARG 110 N 0.31 0.25 0.00 4.80 2.43 -0.91 -3.34 114.38 117.92 2bwj h ARG 110 Ca 0.06 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 2bwj h ARG 110 Cb 0.39 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2bwj h ARG 110 CO 0.02 0.88 -1.70 0.54 -1.51 0.00 0.00 179.97 178.21 2bwj n ARG 111 N -4.49 0.64 0.00 0.20 1.74 0.01 -4.83 116.66 109.94 2bwj n ARG 111 Ca -0.09 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 2bwj n ARG 111 Cb 0.48 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2bwj n ARG 111 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2bwj n ILE 112 N -2.55 0.11 0.00 0.55 5.41 0.80 -4.99 119.36 118.68 2bwj n ILE 112 Ca -0.08 0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.70 2bwj n ILE 112 Cb 0.70 -1.01 0.00 0.00 -0.71 0.00 0.00 39.64 38.61 2bwj n ILE 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2bwj n GLY 113 N 3.42 -0.80 3.75 7.39 0.00 -0.76 -4.54 105.19 113.64 2bwj n GLY 113 Ca 0.00 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 2bwj n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bwj s ASP 114 N 0.00 5.58 0.34 1.61 1.01 -1.26 -3.23 116.67 120.73 2bwj s ASP 114 Ca 0.00 0.23 -0.27 0.00 0.71 0.00 0.00 52.55 53.22 2bwj s ASP 114 Cb 0.00 -1.64 -0.09 0.00 1.01 0.00 0.00 42.92 42.19 2bwj s ASP 114 CO 0.00 0.37 1.05 -2.16 0.21 0.00 0.00 175.17 174.65 2bwj s PRO 115 N -1.02 4.41 0.20 8.23 0.04 -1.26 -4.72 135.00 140.88 2bwj s PRO 115 Ca 0.15 1.61 0.21 0.00 0.04 0.00 0.00 61.00 63.01 2bwj s PRO 115 Cb -0.12 -2.85 0.01 0.00 0.04 0.00 0.00 34.50 31.58 2bwj s PRO 115 CO 0.04 0.06 1.07 1.96 0.04 0.00 0.00 177.00 180.17 2bwj h GLN 116 N 3.14 0.00 -3.25 4.56 7.50 -1.50 -3.44 115.11 122.12 2bwj h GLN 116 Ca -0.47 0.00 -0.19 0.00 0.50 0.00 0.00 58.65 58.48 2bwj h GLN 116 Cb 1.21 0.00 -0.27 0.00 0.05 0.00 0.00 27.48 28.47 2bwj h GLN 116 CO 0.65 0.10 -0.51 -1.17 -1.50 0.00 0.00 178.83 176.39 2bwj s LEU 117 N -5.61 1.10 -0.23 1.46 2.96 -1.20 -3.96 118.68 113.21 2bwj s LEU 117 Ca -0.00 0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 54.29 2bwj s LEU 117 Cb 0.09 0.61 0.03 0.00 0.50 0.00 0.00 46.19 47.41 2bwj s LEU 117 CO 0.78 -0.09 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.92 2bwj s VAL 118 N 0.40 2.54 -0.24 1.68 1.01 0.02 -1.09 120.40 124.71 2bwj s VAL 118 Ca -0.02 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.80 2bwj s VAL 118 Cb -0.04 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 2bwj s VAL 118 CO -0.02 0.29 0.19 -0.63 0.00 0.00 0.00 175.10 174.93 2bwj s ILE 119 N 1.29 5.34 -0.23 2.22 1.01 0.42 -0.81 121.20 130.44 2bwj s ILE 119 Ca 0.01 0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.86 2bwj s ILE 119 Cb -0.16 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.80 2bwj s ILE 119 CO -0.07 0.32 -0.06 0.00 0.00 0.00 0.00 174.94 175.13 2bwj s MET 121 N 1.39 3.10 0.03 0.00 -1.94 0.50 -0.30 119.30 122.08 2bwj s MET 121 Ca 0.03 -0.99 -0.29 0.00 -1.71 0.00 0.00 55.69 52.73 2bwj s MET 121 Cb -0.15 -4.22 -0.04 0.00 2.01 0.00 0.00 34.83 32.42 2bwj s MET 121 CO -0.05 -1.65 0.93 -0.51 -0.01 0.00 0.00 175.02 173.73 2bwj s ASP 122 N 3.55 7.35 -0.08 3.03 1.11 0.16 -4.24 116.67 127.55 2bwj s ASP 122 Ca 0.18 1.63 -0.18 0.00 0.18 0.00 0.00 52.55 54.36 2bwj s ASP 122 Cb -0.20 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.28 2bwj s ASP 122 CO 0.09 -0.17 0.42 0.00 1.18 0.00 0.00 175.17 176.69 2bwj s SER 124 N -0.68 5.44 0.19 0.00 1.04 -1.26 -4.90 113.70 113.53 2bwj s SER 124 Ca -0.08 1.84 -0.11 0.00 0.48 0.00 0.00 55.95 58.09 2bwj s SER 124 Cb -0.04 -2.53 0.12 0.00 0.10 0.00 0.00 66.02 63.67 2bwj s SER 124 CO 0.04 -1.40 1.79 0.00 0.98 0.00 0.00 173.24 174.64 2bwj h ALA 125 N 0.04 0.89 -0.95 5.32 0.00 -2.01 -1.36 119.26 121.19 2bwj h ALA 125 Ca -0.46 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.33 2bwj h ALA 125 Cb 1.23 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 2bwj h ALA 125 CO 0.56 0.44 0.62 -0.44 0.00 0.00 0.00 179.25 180.43 2bwj h ASP 126 N 0.96 1.06 -0.07 0.00 3.32 -1.99 0.80 116.42 120.51 2bwj h ASP 126 Ca 0.24 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 2bwj h ASP 126 Cb 0.10 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2bwj h ASP 126 CO -0.03 0.75 -0.24 0.74 -1.72 0.00 0.00 179.24 178.74 2bwj h THR 127 N 1.25 1.43 -0.60 0.35 2.02 -1.88 -1.35 112.91 114.12 2bwj h THR 127 Ca 0.36 -1.63 0.04 0.00 0.77 0.00 0.00 66.41 65.95 2bwj h THR 127 Cb -0.08 2.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 2bwj h THR 127 CO -0.10 0.46 0.35 0.24 0.37 0.00 0.00 175.52 176.85 2bwj h MET 128 N -0.22 0.67 -0.00 6.66 2.86 -1.15 -1.67 114.93 122.07 2bwj h MET 128 Ca -0.01 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2bwj h MET 128 Cb 0.87 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 2bwj h MET 128 CO 0.05 0.44 0.00 1.15 1.06 0.00 0.00 176.91 179.61 2bwj h THR 129 N 0.69 1.00 -0.85 2.22 2.02 -0.82 -0.50 112.91 116.67 2bwj h THR 129 Ca 0.25 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.43 2bwj h THR 129 Cb 0.07 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 2bwj h THR 129 CO -0.13 0.00 0.56 -1.13 0.37 0.00 0.00 175.52 175.20 2bwj h ASN 130 N -0.00 0.97 -0.51 4.18 -0.73 -1.14 0.95 115.58 119.30 2bwj h ASN 130 Ca 0.00 -0.02 -0.07 0.00 1.87 0.00 0.00 56.30 58.08 2bwj h ASN 130 Cb 0.00 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.33 2bwj h ASN 130 CO -0.00 0.70 0.06 0.03 -0.37 0.00 0.00 177.43 177.86 2bwj h ARG 131 N 1.15 0.86 -0.42 6.67 3.08 -1.15 -1.42 114.38 123.15 2bwj h ARG 131 Ca 0.31 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 2bwj h ARG 131 Cb -0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 2bwj h ARG 131 CO -0.07 0.86 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.58 2bwj h LEU 132 N 0.74 0.67 -0.80 3.04 3.38 -0.70 -2.72 115.31 118.92 2bwj h LEU 132 Ca 0.15 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2bwj h LEU 132 Cb 0.43 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2bwj h LEU 132 CO 0.01 0.77 0.14 -0.07 0.09 0.00 0.00 178.44 179.39 2bwj h LEU 133 N 0.65 0.99 -2.30 1.67 3.38 -0.37 -2.41 115.31 116.91 2bwj h LEU 133 Ca 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2bwj h LEU 133 Cb 0.46 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2bwj h LEU 133 CO 0.02 0.96 -0.04 1.56 0.09 0.00 0.00 178.44 181.03 2bwj h GLN 134 N 0.99 0.00 -0.37 1.13 4.20 -0.97 -1.10 115.11 118.99 2bwj h GLN 134 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2bwj h GLN 134 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2bwj h GLN 134 CO 0.00 0.04 0.00 -1.33 -0.67 0.00 0.00 178.83 176.88 2bwj n MET 135 N -3.73 2.47 -2.37 1.46 2.81 -0.98 -5.00 117.12 111.78 2bwj n MET 135 Ca -0.03 -2.22 -0.39 0.00 -1.81 0.00 0.00 57.70 53.25 2bwj n MET 135 Cb 0.14 -1.51 -0.03 0.00 -0.71 0.00 0.00 33.22 31.10 2bwj n MET 135 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2bwj s SER 136 N -1.51 6.87 -0.19 7.83 0.15 -0.42 -4.92 113.70 121.52 2bwj s SER 136 Ca 0.38 2.33 0.14 0.00 0.70 0.00 0.00 55.95 59.50 2bwj s SER 136 Cb 0.23 -2.62 0.39 0.00 -1.71 0.00 0.00 66.02 62.30 2bwj s SER 136 CO 0.32 -0.43 1.23 0.54 1.20 0.00 0.00 173.24 176.10 2bwj n ARG 137 N 0.58 1.58 -2.19 5.44 1.74 -1.26 -5.06 116.66 117.49 2bwj n ARG 137 Ca 0.02 -3.01 -0.41 0.00 -0.77 0.00 0.00 57.85 53.68 2bwj n ARG 137 Cb 0.46 -1.61 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 2bwj n ARG 137 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2bwj s SER 138 N -2.96 6.88 -0.01 0.55 0.15 -1.26 -4.93 113.70 112.11 2bwj s SER 138 Ca 0.37 2.49 0.21 0.00 0.70 0.00 0.00 55.95 59.71 2bwj s SER 138 Cb 0.34 -2.62 0.61 0.00 -1.71 0.00 0.00 66.02 62.63 2bwj s SER 138 CO -0.02 -0.51 1.51 -1.20 1.20 0.00 0.00 173.24 174.22 2bwj n SER 139 N 2.00 3.88 -4.82 5.45 7.64 -1.26 -4.96 113.62 121.55 2bwj n SER 139 Ca 0.04 -2.04 -0.23 0.00 1.01 0.00 0.00 58.87 57.65 2bwj n SER 139 Cb 0.42 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 63.12 2bwj n SER 139 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bwj s LEU 140 N -1.07 3.84 0.75 -3.43 1.43 -1.26 -5.10 118.68 113.84 2bwj s LEU 140 Ca 0.46 -0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 53.21 2bwj s LEU 140 Cb 0.24 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 2bwj s LEU 140 CO 0.30 -0.01 0.72 -2.65 0.23 0.00 0.00 176.35 174.94 2bwj n PRO 141 N -0.93 0.31 -0.04 1.29 -0.02 -1.26 -4.62 135.00 129.73 2bwj n PRO 141 Ca -0.08 0.15 0.03 0.00 -2.02 0.00 0.00 63.50 61.58 2bwj n PRO 141 Cb 0.57 -2.01 0.37 0.00 -0.02 0.00 0.00 33.50 32.41 2bwj n PRO 141 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2bwj h VAL 142 N -0.48 1.14 -0.10 -1.45 3.04 -1.98 0.12 116.25 116.54 2bwj h VAL 142 Ca -0.46 -0.31 -0.00 0.00 -1.01 0.00 0.00 66.70 64.92 2bwj h VAL 142 Cb 1.33 0.49 -0.00 0.00 -2.01 0.00 0.00 31.29 31.10 2bwj h VAL 142 CO 0.44 0.14 0.05 0.44 -1.01 0.00 0.00 177.57 177.63 2bwj h ASP 143 N 0.64 0.13 -0.49 3.17 5.19 -1.98 0.34 116.42 123.42 2bwj h ASP 143 Ca 0.17 -0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.42 2bwj h ASP 143 Cb -0.02 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 2bwj h ASP 143 CO -0.03 0.21 0.13 0.44 -3.12 0.00 0.00 179.24 176.87 2bwj h ASP 144 N 0.04 0.73 -0.76 6.45 5.19 -1.79 -1.91 116.42 124.37 2bwj h ASP 144 Ca 0.03 -0.22 0.01 0.00 -0.62 0.00 0.00 57.03 56.24 2bwj h ASP 144 Cb 0.11 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 39.39 2bwj h ASP 144 CO -0.00 0.76 0.50 0.74 -3.12 0.00 0.00 179.24 178.12 2bwj h THR 145 N 0.66 1.17 -0.18 0.35 2.02 -0.57 -2.69 112.91 113.67 2bwj h THR 145 Ca 0.15 -0.35 -0.10 0.00 0.77 0.00 0.00 66.41 66.89 2bwj h THR 145 Cb 0.31 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2bwj h THR 145 CO -0.00 0.18 -0.31 0.74 0.37 0.00 0.00 175.52 176.50 2bwj h THR 146 N 1.01 1.27 -0.03 3.16 2.02 -0.11 -2.49 112.91 117.75 2bwj h THR 146 Ca 0.29 -1.32 -0.07 0.00 0.77 0.00 0.00 66.41 66.08 2bwj h THR 146 Cb -0.08 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2bwj h THR 146 CO -0.07 0.41 -0.30 0.11 0.37 0.00 0.00 175.52 176.03 2bwj h LYS 147 N 0.31 0.05 -0.06 6.66 1.57 -1.03 -0.47 116.57 123.60 2bwj h LYS 147 Ca 0.04 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.56 2bwj h LYS 147 Cb 0.70 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.02 2bwj h LYS 147 CO 0.05 0.36 -0.93 1.15 -0.57 0.00 0.00 179.45 179.50 2bwj h THR 148 N 0.05 1.29 -0.49 -0.16 2.02 -1.25 -2.55 112.91 111.81 2bwj h THR 148 Ca 0.01 -2.16 0.03 0.00 0.77 0.00 0.00 66.41 65.06 2bwj h THR 148 Cb 0.57 2.23 -0.04 0.00 -1.74 0.00 0.00 68.15 69.17 2bwj h THR 148 CO 0.04 0.67 0.28 0.40 0.37 0.00 0.00 175.52 177.28 2bwj h ILE 149 N 0.44 1.02 -0.86 3.11 2.04 -1.28 -2.44 117.51 119.53 2bwj h ILE 149 Ca -0.10 -0.19 0.12 0.00 1.00 0.00 0.00 64.86 65.70 2bwj h ILE 149 Cb 1.58 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 2bwj h ILE 149 CO 0.18 0.10 0.56 0.00 0.00 0.00 0.00 178.15 178.99 2bwj h ALA 150 N 1.24 1.78 -0.61 1.87 0.00 -1.01 -1.04 119.26 121.49 2bwj h ALA 150 Ca 0.20 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2bwj h ALA 150 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2bwj h ALA 150 CO -0.11 0.01 0.22 0.87 0.00 0.00 0.00 179.25 180.25 2bwj h LYS 151 N 0.74 0.89 -0.21 0.00 1.57 -1.01 0.19 116.57 118.74 2bwj h LYS 151 Ca 0.42 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.88 2bwj h LYS 151 Cb 0.59 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2bwj h LYS 151 CO -0.18 0.74 -0.54 0.00 -0.57 0.00 0.00 179.45 178.90 2bwj h ARG 152 N 0.88 0.62 -0.14 3.15 3.08 -1.00 -1.77 114.38 119.19 2bwj h ARG 152 Ca 0.20 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2bwj h ARG 152 Cb 0.20 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2bwj h ARG 152 CO -0.02 1.00 0.03 -0.07 -1.07 0.00 0.00 179.97 179.85 2bwj h LEU 153 N 0.48 0.21 -0.78 3.04 3.38 -0.95 -1.50 115.31 119.19 2bwj h LEU 153 Ca 0.01 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 57.86 2bwj h LEU 153 Cb 1.09 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.71 2bwj h LEU 153 CO 0.11 0.38 0.41 -0.33 0.09 0.00 0.00 178.44 179.09 2bwj h GLU 154 N 0.03 0.65 -0.67 1.13 5.08 -0.92 -0.23 114.58 119.64 2bwj h GLU 154 Ca 0.04 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2bwj h GLU 154 Cb 0.25 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2bwj h GLU 154 CO 0.00 0.43 0.22 0.00 -1.00 0.00 0.00 179.01 178.66 2bwj h ALA 155 N 1.46 0.88 -0.76 3.43 0.00 -1.19 -1.63 119.26 121.45 2bwj h ALA 155 Ca 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2bwj h ALA 155 Cb 0.42 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2bwj h ALA 155 CO -0.28 0.54 0.48 -0.92 0.00 0.00 0.00 179.25 179.07 2bwj h TYR 156 N 0.98 0.98 -0.46 0.00 3.20 -0.42 -1.77 116.97 119.47 2bwj h TYR 156 Ca 0.22 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 2bwj h TYR 156 Cb 0.28 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 2bwj h TYR 156 CO 0.02 0.64 0.10 1.88 -1.64 0.00 0.00 178.16 179.16 2bwj h TYR 157 N 1.03 0.80 -1.00 -3.82 0.05 -0.69 0.48 116.97 113.82 2bwj h TYR 157 Ca 0.27 -0.10 0.06 0.00 0.05 0.00 0.00 58.73 59.01 2bwj h TYR 157 Cb -0.07 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 37.38 2bwj h TYR 157 CO -0.01 0.74 0.65 0.00 -1.05 0.00 0.00 178.16 178.49 2bwj h ARG 158 N 0.63 1.17 0.13 4.88 3.08 -1.19 -1.98 114.38 121.10 2bwj h ARG 158 Ca 0.14 -0.07 -0.27 0.00 0.07 0.00 0.00 59.98 59.85 2bwj h ARG 158 Cb 0.35 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2bwj h ARG 158 CO 0.01 0.77 -1.24 0.00 -1.07 0.00 0.00 179.97 178.44 2bwj h ALA 159 N 1.44 0.10 0.17 0.04 0.00 -1.04 -3.39 119.26 116.58 2bwj h ALA 159 Ca 0.42 -0.89 -0.30 0.00 0.00 0.00 0.00 54.91 54.14 2bwj h ALA 159 Cb 0.12 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2bwj h ALA 159 CO -0.16 0.98 -1.49 0.66 0.00 0.00 0.00 179.25 179.24 2bwj h SER 160 N 0.07 0.55 -0.03 0.00 4.64 -0.83 -3.33 113.55 114.63 2bwj h SER 160 Ca -0.13 -0.91 0.01 0.00 -0.47 0.00 0.00 61.79 60.29 2bwj h SER 160 Cb 1.97 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.87 2bwj h SER 160 CO 0.20 1.68 -0.04 0.40 -0.87 0.00 0.00 176.83 178.20 2bwj h ILE 161 N -0.09 0.88 -0.24 0.95 2.04 -1.54 0.02 117.51 119.53 2bwj h ILE 161 Ca -0.30 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.45 2bwj h ILE 161 Cb 1.94 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2bwj h ILE 161 CO 0.15 0.00 -0.34 -0.65 0.00 0.00 0.00 178.15 177.31 2bwj h PRO 162 N -0.06 0.52 -0.19 2.37 0.11 -1.78 -2.18 132.00 130.80 2bwj h PRO 162 Ca 0.03 -0.24 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 2bwj h PRO 162 Cb 0.10 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 2bwj h PRO 162 CO -0.07 0.79 0.01 0.28 -0.21 0.00 0.00 178.00 178.80 2bwj h VAL 163 N 0.44 1.25 -0.44 3.15 2.07 -1.61 -2.06 116.25 119.05 2bwj h VAL 163 Ca 0.05 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.74 2bwj h VAL 163 Cb 0.81 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2bwj h VAL 163 CO 0.07 0.25 0.28 0.40 0.02 0.00 0.00 177.57 178.59 2bwj h ILE 164 N 0.10 1.08 -0.25 4.57 2.04 -0.95 -1.35 117.51 122.75 2bwj h ILE 164 Ca 0.06 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2bwj h ILE 164 Cb 0.37 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2bwj h ILE 164 CO 0.01 0.10 -0.02 0.00 0.00 0.00 0.00 178.15 178.24 2bwj h ALA 165 N 1.17 1.51 0.37 1.87 0.00 -1.40 -1.29 119.26 121.50 2bwj h ALA 165 Ca 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2bwj h ALA 165 Cb -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2bwj h ALA 165 CO -0.05 0.35 -0.18 -0.92 0.00 0.00 0.00 179.25 178.45 2bwj h TYR 166 N 0.36 -0.46 0.00 0.00 3.20 -0.84 -3.30 116.97 115.94 2bwj h TYR 166 Ca 0.08 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2bwj h TYR 166 Cb 0.27 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 2bwj h TYR 166 CO 0.01 -0.13 -0.08 1.88 -1.64 0.00 0.00 178.16 178.20 2bwj h TYR 167 N -0.86 0.00 -0.88 -3.82 -1.99 -1.15 -2.18 116.97 106.08 2bwj h TYR 167 Ca -0.05 0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.77 2bwj h TYR 167 Cb 0.54 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.20 2bwj h TYR 167 CO 0.02 0.08 0.57 0.93 -0.00 0.00 0.00 178.16 179.76 2bwj h GLU 168 N 0.00 0.88 0.00 4.88 5.08 -1.31 0.10 114.58 124.21 2bwj h GLU 168 Ca -0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2bwj h GLU 168 Cb 0.54 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2bwj h GLU 168 CO 0.01 0.58 -0.04 1.79 -1.00 0.00 0.00 179.01 180.35 2bwj h THR 169 N 0.91 0.07 0.00 1.13 1.35 -1.47 -3.40 112.91 111.50 2bwj h THR 169 Ca 0.40 -1.08 -0.27 0.00 -0.55 0.00 0.00 66.41 64.91 2bwj h THR 169 Cb 0.36 2.02 -0.05 0.00 -1.73 0.00 0.00 68.15 68.75 2bwj h THR 169 CO -0.17 0.04 -2.02 0.29 -0.25 0.00 0.00 175.52 173.42 2bwj n LYS 170 N -3.11 0.72 -1.51 4.72 4.01 -0.64 -5.10 118.16 117.25 2bwj n LYS 170 Ca 0.04 0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 2bwj n LYS 170 Cb 0.54 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.70 2bwj n LYS 170 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 2bwj n THR 171 N -2.92 0.00 -2.71 -0.18 5.66 0.26 -5.08 114.28 109.30 2bwj n THR 171 Ca -0.30 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.27 2bwj n THR 171 Cb 0.87 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.62 2bwj n THR 171 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2bwj s GLN 172 N -1.78 4.19 -0.10 1.09 2.00 -1.25 -4.65 119.66 119.15 2bwj s GLN 172 Ca 0.00 1.18 0.03 0.00 -2.00 0.00 0.00 55.36 54.57 2bwj s GLN 172 Cb 0.00 -3.67 0.01 0.00 0.80 0.00 0.00 33.01 30.15 2bwj s GLN 172 CO 0.00 -0.67 -0.19 -1.17 -0.50 0.00 0.00 175.29 172.76 2bwj s LEU 173 N 3.21 1.92 -0.14 3.68 0.20 -1.26 -0.80 118.68 125.49 2bwj s LEU 173 Ca 0.42 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.78 2bwj s LEU 173 Cb -0.14 -1.21 0.02 0.00 -0.43 0.00 0.00 46.19 44.42 2bwj s LEU 173 CO 0.09 0.09 -0.18 -1.00 -0.29 0.00 0.00 176.35 175.06 2bwj s HIS 174 N 0.58 2.35 -0.28 5.38 3.76 0.01 -4.97 115.29 122.13 2bwj s HIS 174 Ca -0.14 -1.22 -0.18 0.00 -0.15 0.00 0.00 55.06 53.36 2bwj s HIS 174 Cb -0.17 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 2bwj s HIS 174 CO 0.05 -0.61 0.52 0.15 -0.85 0.00 0.00 174.74 174.00 2bwj s LYS 175 N 1.08 3.99 -0.09 1.40 1.02 -1.26 -1.24 119.74 124.64 2bwj s LYS 175 Ca -0.03 0.24 -0.06 0.00 0.02 0.00 0.00 55.97 56.14 2bwj s LYS 175 Cb -0.14 -3.68 -0.04 0.00 -0.52 0.00 0.00 37.83 33.44 2bwj s LYS 175 CO -0.05 -0.41 0.15 0.42 -0.92 0.00 0.00 175.35 174.54 2bwj s ILE 176 N 2.34 5.49 -0.63 2.17 1.09 0.59 -4.95 121.20 127.30 2bwj s ILE 176 Ca 0.21 0.12 -0.24 0.00 -1.10 0.00 0.00 60.65 59.64 2bwj s ILE 176 Cb -0.16 -3.44 0.05 0.00 -1.06 0.00 0.00 42.46 37.86 2bwj s ILE 176 CO 0.10 0.54 1.02 0.21 -0.10 0.00 0.00 174.94 176.71 2bwj s ASN 177 N -1.27 6.24 -0.03 3.58 2.47 -1.26 -0.67 114.94 124.00 2bwj s ASN 177 Ca 0.18 -0.64 0.07 0.00 0.42 0.00 0.00 52.86 52.89 2bwj s ASN 177 Cb -0.12 -2.45 0.26 0.00 -1.45 0.00 0.00 41.25 37.48 2bwj s ASN 177 CO 0.08 -1.44 1.13 0.00 -3.72 0.00 0.00 177.10 173.14 2bwj n ALA 178 N 7.95 2.63 0.23 1.71 0.00 0.95 -3.45 120.51 130.52 2bwj n ALA 178 Ca -0.00 -0.55 0.12 0.00 0.00 0.00 0.00 53.44 53.01 2bwj n ALA 178 Cb 0.47 -1.00 0.26 0.00 0.00 0.00 0.00 19.45 19.18 2bwj n ALA 178 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2bwj h GLU 179 N 1.56 0.00 0.00 0.00 4.39 -1.91 -3.47 114.58 115.16 2bwj h GLU 179 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2bwj h GLU 179 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2bwj h GLU 179 CO 0.06 0.04 0.00 0.41 -1.16 0.00 0.00 179.01 178.36 2bwj n GLY 180 N 0.89 -1.78 3.81 -3.84 0.00 -1.22 -5.02 105.19 98.03 2bwj n GLY 180 Ca 0.03 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 2bwj n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bwj s THR 181 N -0.79 4.04 0.52 2.61 -4.23 -1.26 -4.83 115.64 111.70 2bwj s THR 181 Ca 0.00 1.02 0.25 0.00 -1.18 0.00 0.00 61.69 61.78 2bwj s THR 181 Cb 0.00 -3.50 0.41 0.00 1.34 0.00 0.00 72.50 70.75 2bwj s THR 181 CO 0.00 -0.52 1.97 -0.65 -0.54 0.00 0.00 174.62 174.88 2bwj h PRO 182 N 0.77 0.05 0.07 3.99 0.11 -1.95 0.11 132.00 135.14 2bwj h PRO 182 Ca -0.47 -0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.39 2bwj h PRO 182 Cb 1.21 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2bwj h PRO 182 CO 0.59 0.03 -1.13 0.93 -0.21 0.00 0.00 178.00 178.21 2bwj h GLU 183 N 0.05 0.16 -0.28 1.05 3.07 -1.99 -0.91 114.58 115.72 2bwj h GLU 183 Ca 0.29 -0.27 -0.18 0.00 -0.50 0.00 0.00 59.36 58.71 2bwj h GLU 183 Cb 1.10 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2bwj h GLU 183 CO -0.02 1.12 -0.51 0.22 -1.40 0.00 0.00 179.01 178.43 2bwj h ASP 184 N 0.05 0.94 -0.43 1.42 3.58 -1.68 -2.75 116.42 117.54 2bwj h ASP 184 Ca -0.08 -0.53 -0.06 0.00 0.42 0.00 0.00 57.03 56.78 2bwj h ASP 184 Cb 1.87 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 42.64 2bwj h ASP 184 CO 0.17 1.29 0.03 0.58 -2.88 0.00 0.00 179.24 178.43 2bwj h VAL 185 N 0.62 1.25 -0.55 2.25 2.07 -0.81 -2.10 116.25 118.99 2bwj h VAL 185 Ca 0.02 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.59 2bwj h VAL 185 Cb 1.12 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 2bwj h VAL 185 CO 0.11 0.33 0.33 0.15 0.02 0.00 0.00 177.57 178.52 2bwj h PHE 186 N 0.58 0.62 -0.78 1.57 3.57 -1.21 -0.66 116.94 120.63 2bwj h PHE 186 Ca 0.13 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.69 2bwj h PHE 186 Cb 0.44 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 2bwj h PHE 186 CO 0.03 0.35 0.51 -0.07 -2.23 0.00 0.00 178.31 176.90 2bwj h LEU 187 N 0.65 0.80 -0.18 0.59 3.38 -1.34 -0.24 115.31 118.98 2bwj h LEU 187 Ca 0.22 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2bwj h LEU 187 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2bwj h LEU 187 CO -0.10 0.54 0.05 1.56 0.09 0.00 0.00 178.44 180.58 2bwj h GLN 188 N 0.93 0.29 -0.90 1.13 4.20 -0.65 -2.19 115.11 117.91 2bwj h GLN 188 Ca 0.32 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.98 2bwj h GLN 188 Cb 0.09 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 2bwj h GLN 188 CO -0.10 0.41 0.59 -0.07 -0.67 0.00 0.00 178.83 179.00 2bwj h LEU 189 N 0.11 1.00 -0.76 1.46 3.38 -0.57 -2.04 115.31 117.89 2bwj h LEU 189 Ca 0.06 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2bwj h LEU 189 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2bwj h LEU 189 CO -0.00 0.71 -0.13 0.00 0.09 0.00 0.00 178.44 179.11 2bwj h THR 191 N 0.72 0.91 -0.68 0.00 2.02 -0.94 0.11 112.91 115.04 2bwj h THR 191 Ca 0.12 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 2bwj h THR 191 Cb 0.63 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 2bwj h THR 191 CO 0.04 0.04 0.38 0.00 0.37 0.00 0.00 175.52 176.36 2bwj h ALA 192 N 1.20 0.87 -0.02 6.16 0.00 -1.13 -1.87 119.26 124.46 2bwj h ALA 192 Ca 0.14 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 2bwj h ALA 192 Cb 0.11 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.65 2bwj h ALA 192 CO -0.15 0.37 -0.78 0.82 0.00 0.00 0.00 179.25 179.52 2bwj h ILE 193 N 0.93 1.35 -0.62 0.00 2.04 -1.06 -3.14 117.51 117.00 2bwj h ILE 193 Ca 0.24 -2.11 0.03 0.00 1.00 0.00 0.00 64.86 64.02 2bwj h ILE 193 Cb 0.02 2.42 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 2bwj h ILE 193 CO -0.04 0.64 0.38 0.44 0.00 0.00 0.00 178.15 179.56 2bwj h ASP 194 N 0.17 0.61 -0.00 1.72 3.32 -0.78 0.57 116.42 122.04 2bwj h ASP 194 Ca -0.09 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2bwj h ASP 194 Cb 1.46 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 2bwj h ASP 194 CO 0.15 0.42 0.12 0.77 -1.72 0.00 0.00 179.24 178.99 2bwj h SER 195 N 0.74 0.00 0.00 6.45 4.64 -1.29 0.85 113.55 124.94 2bwj h SER 195 Ca 0.25 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.20 2bwj h SER 195 Cb 0.04 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.08 2bwj h SER 195 CO -0.11 0.00 -2.21 -0.38 -0.87 0.00 0.00 176.83 173.25 2bwj n ILE 196 N -3.01 1.52 0.30 0.95 -0.00 -0.75 -4.50 119.36 113.88 2bwj n ILE 196 Ca -0.03 -0.28 0.19 0.00 -0.00 0.00 0.00 62.75 62.63 2bwj n ILE 196 Cb 0.19 -1.97 0.96 0.00 -0.00 0.00 0.00 39.64 38.82 2bwj n ILE 196 CO 0.00 0.00 0.00 -0.26 -0.00 0.00 0.00 176.55 176.29 2bwj h PHE 197 N -1.00 0.00 0.00 1.39 -1.00 0.55 -3.52 116.94 113.36 2bwj h PHE 197 Ca -0.57 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.21 2bwj h PHE 197 Cb 1.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.05 2bwj h PHE 197 CO -0.13 0.03 0.00 1.47 -1.61 0.00 0.00 178.31 178.07