#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bwj h PHE 4 N 0.00 0.98 0.05 1.61 0.05 -2.02 -1.91 116.94 115.69 2bwj h PHE 4 Ca 0.00 -0.12 0.01 0.00 3.82 0.00 0.00 57.97 61.68 2bwj h PHE 4 Cb 0.00 -0.27 -0.04 0.00 2.00 0.00 0.00 35.95 37.63 2bwj h PHE 4 CO 0.00 0.84 -0.43 1.98 -0.18 0.00 0.00 178.31 180.52 2bwj h MET 5 N 0.83 -0.56 0.00 1.51 4.05 -1.98 1.08 114.93 119.87 2bwj h MET 5 Ca 0.18 0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.57 2bwj h MET 5 Cb 0.36 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 2bwj h MET 5 CO 0.00 -0.37 -0.33 1.49 0.23 0.00 0.00 176.91 177.93 2bwj h GLU 6 N -0.58 0.00 -0.01 0.39 4.22 -1.96 -1.46 114.58 115.19 2bwj h GLU 6 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 2bwj h GLU 6 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2bwj h GLU 6 CO -0.26 0.33 0.00 -0.44 -2.18 0.00 0.00 179.01 176.46 2bwj h ASP 7 N 0.00 0.01 -0.63 1.04 3.32 -0.49 -2.72 116.42 116.96 2bwj h ASP 7 Ca -0.00 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 2bwj h ASP 7 Cb 0.61 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 2bwj h ASP 7 CO 0.04 0.31 0.37 -0.07 -1.72 0.00 0.00 179.24 178.18 2bwj h LEU 8 N -0.29 0.78 -1.16 1.55 3.38 0.14 -2.36 115.31 117.34 2bwj h LEU 8 Ca 0.00 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2bwj h LEU 8 Cb 0.31 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2bwj h LEU 8 CO 0.00 0.61 -0.25 0.03 0.09 0.00 0.00 178.44 178.93 2bwj h ARG 9 N 0.89 0.00 -0.17 1.13 3.08 -1.23 -3.23 114.38 114.85 2bwj h ARG 9 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2bwj h ARG 9 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2bwj h ARG 9 CO -0.04 0.25 0.00 0.36 -1.07 0.00 0.00 179.97 179.47 2bwj n LYS 10 N -3.46 1.74 -2.31 0.04 0.00 -0.98 -4.68 118.16 108.51 2bwj n LYS 10 Ca -0.00 -1.73 -0.27 0.00 -0.00 0.00 0.00 58.31 56.31 2bwj n LYS 10 Cb 0.43 -1.34 0.04 0.00 -0.00 0.00 0.00 35.03 34.16 2bwj n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2bwj s LYS 12 N -5.06 4.30 -0.16 0.00 1.02 -1.26 -4.94 119.74 113.64 2bwj s LYS 12 Ca 0.55 1.72 -0.00 0.00 0.02 0.00 0.00 55.97 58.25 2bwj s LYS 12 Cb -0.11 -3.65 0.03 0.00 -0.52 0.00 0.00 37.83 33.59 2bwj s LYS 12 CO 0.46 -0.57 -0.09 0.42 -0.92 0.00 0.00 175.35 174.66 2bwj s ILE 13 N 2.75 1.30 -0.11 2.17 1.01 -1.26 -0.52 121.20 126.54 2bwj s ILE 13 Ca 0.57 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.63 2bwj s ILE 13 Cb -0.25 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.87 2bwj s ILE 13 CO 0.20 0.26 -0.23 -0.63 0.00 0.00 0.00 174.94 174.54 2bwj s ILE 14 N 1.57 2.04 -0.13 2.92 1.01 -0.30 -1.07 121.20 127.24 2bwj s ILE 14 Ca 0.02 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 59.60 2bwj s ILE 14 Cb -0.14 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 2bwj s ILE 14 CO -0.09 0.55 0.11 -0.36 0.00 0.00 0.00 174.94 175.16 2bwj s PHE 15 N 0.42 3.47 -0.11 3.97 2.99 -0.53 -0.52 117.98 127.67 2bwj s PHE 15 Ca -0.17 0.41 0.01 0.00 0.00 0.00 0.00 56.93 57.17 2bwj s PHE 15 Cb -0.18 -1.96 0.02 0.00 0.00 0.00 0.00 43.02 40.91 2bwj s PHE 15 CO 0.07 0.58 -0.11 -1.50 -0.00 0.00 0.00 175.22 174.26 2bwj s ILE 16 N -0.69 1.25 -0.04 0.64 2.07 -0.51 -0.39 121.20 123.53 2bwj s ILE 16 Ca 0.13 -0.46 0.05 0.00 -1.41 0.00 0.00 60.65 58.95 2bwj s ILE 16 Cb -0.12 -1.19 -0.01 0.00 0.13 0.00 0.00 42.46 41.28 2bwj s ILE 16 CO 0.03 0.40 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.63 2bwj s ILE 17 N 1.30 1.58 -0.22 2.00 1.01 0.28 -0.23 121.20 126.92 2bwj s ILE 17 Ca -0.01 -0.81 -0.28 0.00 0.00 0.00 0.00 60.65 59.55 2bwj s ILE 17 Cb -0.14 -1.35 0.15 0.00 0.01 0.00 0.00 42.46 41.13 2bwj s ILE 17 CO -0.05 0.45 1.12 -0.83 0.00 0.00 0.00 174.94 175.63 2bwj s GLY 18 N -0.06 -0.11 0.71 6.18 0.00 -1.26 -0.51 107.32 112.27 2bwj s GLY 18 Ca -0.03 2.47 -0.11 0.00 0.00 0.00 0.00 44.72 47.05 2bwj s GLY 18 CO 0.02 1.30 1.08 -0.32 0.00 0.00 0.00 173.10 175.18 2bwj s GLY 19 N -0.71 1.64 0.24 0.20 0.00 -1.26 -4.93 107.32 102.49 2bwj s GLY 19 Ca 0.02 -0.25 -0.31 0.00 0.00 0.00 0.00 44.72 44.18 2bwj s GLY 19 CO -0.04 0.11 1.59 2.56 0.00 0.00 0.00 173.10 177.32 2bwj s PRO 20 N -5.28 4.17 0.00 2.90 0.04 -1.26 -1.53 135.00 134.05 2bwj s PRO 20 Ca 0.58 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.10 2bwj s PRO 20 Cb -0.12 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2bwj s PRO 20 CO 0.53 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.37 2bwj n GLY 21 N 2.93 0.92 0.19 0.56 0.00 -1.26 -4.81 105.19 103.71 2bwj n GLY 21 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.63 -3.44 113.55 114.72 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 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 2bwj n GLY 23 N 0.89 1.05 0.20 -0.77 0.00 -1.26 -4.87 105.19 100.43 2bwj n GLY 23 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 2.10 0.63 -0.19 1.61 3.64 -1.91 -2.36 116.57 120.09 2bwj h LYS 24 Ca 0.00 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2bwj h LYS 24 Cb 0.00 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 2bwj h LYS 24 CO 0.00 0.55 0.00 0.78 -2.27 0.00 0.00 179.45 178.51 2bwj h GLY 25 N 0.57 0.18 1.88 5.01 0.00 -1.96 -1.65 103.07 107.11 2bwj h GLY 25 Ca 0.15 0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.37 2bwj h GLY 25 CO -0.02 -0.03 -0.58 -0.91 0.00 0.00 0.00 176.54 175.00 2bwj h THR 26 N 0.06 1.40 -0.42 4.70 1.35 -1.98 -2.82 112.91 115.21 2bwj h THR 26 Ca 0.09 -1.95 -0.07 0.00 -0.55 0.00 0.00 66.41 63.93 2bwj h THR 26 Cb 0.11 2.01 -0.02 0.00 -1.73 0.00 0.00 68.15 68.52 2bwj h THR 26 CO -0.15 0.57 -0.01 1.56 -0.25 0.00 0.00 175.52 177.23 2bwj h GLN 27 N 0.09 0.68 -0.53 4.72 1.08 -1.03 -2.95 115.11 117.17 2bwj h GLN 27 Ca -0.00 -0.17 -0.10 0.00 -1.45 0.00 0.00 58.65 56.93 2bwj h GLN 27 Cb 1.05 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 2bwj h GLN 27 CO 0.08 0.71 -0.05 0.00 -0.95 0.00 0.00 178.83 178.62 2bwj h GLU 29 N 0.86 1.17 -0.19 0.00 5.08 -1.44 -0.89 114.58 119.17 2bwj h GLU 29 Ca 0.15 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 2bwj h GLU 29 Cb 0.58 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2bwj h GLU 29 CO 0.03 0.91 -0.48 0.87 -1.00 0.00 0.00 179.01 179.35 2bwj h LYS 30 N 1.16 0.66 -0.78 2.33 1.57 -1.35 -2.65 116.57 117.51 2bwj h LYS 30 Ca 0.28 -0.46 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2bwj h LYS 30 Cb 0.14 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 2bwj h LYS 30 CO -0.03 1.08 0.49 -0.07 -0.57 0.00 0.00 179.45 180.35 2bwj h LEU 31 N 0.34 0.81 0.02 2.94 3.38 -0.99 -1.60 115.31 120.22 2bwj h LEU 31 Ca -0.01 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2bwj h LEU 31 Cb 1.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2bwj h LEU 31 CO 0.10 0.56 -0.06 0.58 0.09 0.00 0.00 178.44 179.71 2bwj h VAL 32 N 0.96 0.85 -0.89 1.22 2.07 -1.17 -1.17 116.25 118.12 2bwj h VAL 32 Ca 0.31 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.84 2bwj h VAL 32 Cb 0.02 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2bwj h VAL 32 CO -0.11 0.00 0.58 -0.08 0.02 0.00 0.00 177.57 177.97 2bwj h GLU 33 N -0.12 1.18 0.03 1.57 4.22 -1.35 0.14 114.58 120.26 2bwj h GLU 33 Ca 0.02 -0.08 -0.10 0.00 0.08 0.00 0.00 59.36 59.28 2bwj h GLU 33 Cb 0.14 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.14 2bwj h GLU 33 CO -0.05 0.79 -0.40 -0.22 -2.18 0.00 0.00 179.01 176.95 2bwj h LYS 34 N 1.21 0.22 0.00 1.92 3.64 -1.15 -3.37 116.57 119.04 2bwj h LYS 34 Ca 0.32 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2bwj h LYS 34 Cb -0.12 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2bwj h LYS 34 CO -0.07 1.04 -0.98 0.66 -2.27 0.00 0.00 179.45 177.84 2bwj n TYR 35 N -4.38 0.16 -3.23 1.91 4.02 -0.46 -4.98 117.16 110.20 2bwj n TYR 35 Ca -0.11 0.05 -0.19 0.00 -0.01 0.00 0.00 57.90 57.63 2bwj n TYR 35 Cb 0.60 -0.32 0.05 0.00 -0.02 0.00 0.00 39.34 39.65 2bwj n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bwj n GLY 36 N 1.41 -0.30 3.89 2.72 0.00 0.48 -4.70 105.19 108.70 2bwj n GLY 36 Ca 0.03 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.20 3.55 -0.26 1.61 2.99 -1.19 -1.73 117.98 119.74 2bwj s PHE 37 Ca 0.41 0.93 -0.16 0.00 0.00 0.00 0.00 56.93 58.11 2bwj s PHE 37 Cb -0.18 -2.39 -0.03 0.00 0.00 0.00 0.00 43.02 40.42 2bwj s PHE 37 CO 0.51 -0.30 0.43 0.99 -0.00 0.00 0.00 175.22 176.85 2bwj s THR 38 N -2.72 5.13 -0.31 0.64 2.01 0.15 -4.68 115.64 115.87 2bwj s THR 38 Ca 0.49 0.71 -0.24 0.00 0.31 0.00 0.00 61.69 62.96 2bwj s THR 38 Cb -0.10 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.66 2bwj s THR 38 CO 0.43 0.13 0.82 -2.28 -0.69 0.00 0.00 174.62 173.03 2bwj s HIS 39 N 2.14 3.19 -0.07 4.92 2.46 -1.26 -0.69 115.29 125.97 2bwj s HIS 39 Ca 0.18 0.83 0.05 0.00 0.47 0.00 0.00 55.06 56.58 2bwj s HIS 39 Cb -0.16 -3.29 -0.01 0.00 -0.13 0.00 0.00 32.58 28.99 2bwj s HIS 39 CO 0.10 -0.61 -0.22 -0.51 -2.47 0.00 0.00 174.74 171.03 2bwj s LEU 40 N 3.05 2.25 0.05 8.88 1.43 0.19 -4.97 118.68 129.56 2bwj s LEU 40 Ca 0.34 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 2bwj s LEU 40 Cb -0.14 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 2bwj s LEU 40 CO 0.13 0.23 -0.05 -0.94 0.23 0.00 0.00 176.35 175.95 2bwj s SER 41 N -0.07 0.62 0.16 2.29 1.04 -1.26 -0.81 113.70 115.68 2bwj s SER 41 Ca -0.06 -0.71 -0.16 0.00 0.48 0.00 0.00 55.95 55.51 2bwj s SER 41 Cb -0.14 0.10 0.06 0.00 0.10 0.00 0.00 66.02 66.14 2bwj s SER 41 CO 0.04 -0.37 1.77 0.74 0.98 0.00 0.00 173.24 176.41 2bwj h THR 42 N 3.99 0.96 -0.27 2.02 2.02 -1.92 -0.62 112.91 119.09 2bwj h THR 42 Ca -0.34 -0.13 0.05 0.00 0.77 0.00 0.00 66.41 66.76 2bwj h THR 42 Cb 1.18 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 2bwj h THR 42 CO 0.50 0.07 -0.07 1.23 0.37 0.00 0.00 175.52 177.62 2bwj h GLY 43 N 0.38 0.20 1.08 2.16 0.00 -1.97 -0.17 103.07 104.76 2bwj h GLY 43 Ca 0.17 0.09 -0.14 0.00 0.00 0.00 0.00 47.33 47.45 2bwj h GLY 43 CO -0.12 -0.10 -0.27 -2.09 0.00 0.00 0.00 176.54 173.95 2bwj h GLU 44 N -0.00 0.91 -0.72 4.80 4.57 -1.91 -0.35 114.58 121.87 2bwj h GLU 44 Ca 0.13 -0.43 0.03 0.00 -1.18 0.00 0.00 59.36 57.91 2bwj h GLU 44 Cb 0.20 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.74 2bwj h GLU 44 CO -0.28 1.08 0.46 -0.07 -1.18 0.00 0.00 179.01 179.02 2bwj h LEU 45 N 0.73 0.75 0.06 1.64 3.38 -0.89 -0.66 115.31 120.33 2bwj h LEU 45 Ca 0.08 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2bwj h LEU 45 Cb 0.85 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2bwj h LEU 45 CO 0.08 0.52 -0.03 -0.07 0.09 0.00 0.00 178.44 179.03 2bwj h LEU 46 N 0.89 -0.07 -0.60 1.67 3.38 -0.85 -1.34 115.31 118.40 2bwj h LEU 46 Ca 0.29 -0.25 0.12 0.00 0.09 0.00 0.00 57.88 58.13 2bwj h LEU 46 Cb 0.01 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 2bwj h LEU 46 CO -0.11 0.21 0.06 -0.09 0.09 0.00 0.00 178.44 178.60 2bwj h ARG 47 N -0.35 0.17 -0.39 1.13 2.43 -0.92 -1.65 114.38 114.80 2bwj h ARG 47 Ca -0.01 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2bwj h ARG 47 Cb 0.31 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2bwj h ARG 47 CO 0.01 0.11 0.04 1.49 -1.51 0.00 0.00 179.97 180.12 2bwj h GLU 48 N 0.17 0.66 -0.48 0.20 4.81 -1.00 -1.31 114.58 117.63 2bwj h GLU 48 Ca 0.31 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 2bwj h GLU 48 Cb 0.49 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 2bwj h GLU 48 CO -0.46 0.73 0.24 1.49 -0.73 0.00 0.00 179.01 180.28 2bwj h GLU 49 N 0.50 0.47 -0.48 1.92 4.57 -0.98 -2.04 114.58 118.54 2bwj h GLU 49 Ca 0.12 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2bwj h GLU 49 Cb 0.40 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 2bwj h GLU 49 CO 0.01 0.31 0.25 -0.07 -1.18 0.00 0.00 179.01 178.34 2bwj h LEU 50 N 0.48 0.61 -1.86 1.64 3.38 -1.07 -2.49 115.31 116.00 2bwj h LEU 50 Ca 0.21 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2bwj h LEU 50 Cb 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2bwj h LEU 50 CO -0.14 0.54 -0.14 0.00 0.09 0.00 0.00 178.44 178.79 2bwj h ALA 51 N 1.10 1.41 0.00 1.53 0.00 -1.09 -2.68 119.26 119.53 2bwj h ALA 51 Ca 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2bwj h ALA 51 Cb 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2bwj h ALA 51 CO -0.03 0.17 -0.11 0.66 0.00 0.00 0.00 179.25 179.94 2bwj h SER 52 N 0.00 0.00 -0.32 0.00 4.64 -0.89 -3.46 113.55 113.52 2bwj h SER 52 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2bwj h SER 52 Cb 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.35 2bwj h SER 52 CO 0.02 0.11 -0.12 -0.62 -0.87 0.00 0.00 176.83 175.34 2bwj n GLU 53 N -3.73 -1.60 -0.93 4.77 -0.58 -1.01 -4.97 120.64 112.59 2bwj n GLU 53 Ca -0.02 0.70 -0.33 0.00 -0.42 0.00 0.00 57.16 57.09 2bwj n GLU 53 Cb 0.22 -5.01 0.13 0.00 -0.57 0.00 0.00 31.44 26.21 2bwj n GLU 53 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2bwj n SER 54 N -0.93 0.04 -0.12 1.62 3.41 -1.26 -4.91 113.62 111.47 2bwj n SER 54 Ca -0.07 0.49 -0.03 0.00 -0.26 0.00 0.00 58.87 59.00 2bwj n SER 54 Cb 0.50 -1.42 0.19 0.00 -0.26 0.00 0.00 64.21 63.22 2bwj n SER 54 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2bwj h GLU 55 N -1.30 0.82 -0.88 4.33 4.39 -1.97 -2.58 114.58 117.39 2bwj h GLU 55 Ca -0.45 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.09 2bwj h GLU 55 Cb 1.29 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.78 2bwj h GLU 55 CO 0.42 0.75 0.58 -0.09 -1.16 0.00 0.00 179.01 179.52 2bwj h ARG 56 N 0.78 1.14 -0.22 2.33 2.43 -1.98 -2.40 114.38 116.47 2bwj h ARG 56 Ca 0.17 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 2bwj h ARG 56 Cb 0.32 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2bwj h ARG 56 CO 0.00 0.76 0.19 0.66 -1.51 0.00 0.00 179.97 180.07 2bwj h SER 57 N 1.18 0.00 0.58 -3.80 4.64 -1.74 -2.85 113.55 111.56 2bwj h SER 57 Ca 0.33 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.59 2bwj h SER 57 Cb -0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 2bwj h SER 57 CO -0.08 0.00 -0.30 0.11 -0.87 0.00 0.00 176.83 175.69 2bwj h LYS 58 N 0.00 0.00 -0.44 4.77 1.57 -1.43 -1.38 116.57 119.66 2bwj h LYS 58 Ca 0.10 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2bwj h LYS 58 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2bwj h LYS 58 CO -0.00 0.30 0.09 1.25 -0.57 0.00 0.00 179.45 180.52 2bwj h LEU 59 N 0.00 0.68 -0.63 2.94 5.85 -1.65 -0.43 115.31 122.08 2bwj h LEU 59 Ca -0.00 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.39 2bwj h LEU 59 Cb 0.67 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2bwj h LEU 59 CO 0.04 0.75 0.09 0.40 -0.34 0.00 0.00 178.44 179.38 2bwj h ILE 60 N 0.58 1.26 -0.66 4.05 2.04 -1.60 -2.36 117.51 120.83 2bwj h ILE 60 Ca 0.14 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 64.97 2bwj h ILE 60 Cb 0.35 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2bwj h ILE 60 CO 0.01 0.38 0.43 -0.09 0.00 0.00 0.00 178.15 178.88 2bwj h ARG 61 N 0.95 0.85 -0.51 2.37 2.43 -1.05 -0.34 114.38 119.08 2bwj h ARG 61 Ca 0.19 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 2bwj h ARG 61 Cb 0.45 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 2bwj h ARG 61 CO 0.01 0.56 0.23 -0.44 -1.51 0.00 0.00 179.97 178.83 2bwj h ASP 62 N 0.87 0.30 0.00 -3.80 3.32 -0.85 -1.46 116.42 114.80 2bwj h ASP 62 Ca 0.25 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 2bwj h ASP 62 Cb -0.08 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2bwj h ASP 62 CO -0.06 0.21 -0.00 0.40 -1.72 0.00 0.00 179.24 178.06 2bwj h ILE 63 N 0.45 1.12 0.00 0.35 2.04 -1.10 -3.18 117.51 117.18 2bwj h ILE 63 Ca 0.23 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 2bwj h ILE 63 Cb 0.19 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2bwj h ILE 63 CO -0.19 0.09 -0.35 0.24 0.00 0.00 0.00 178.15 177.94 2bwj h MET 64 N -0.15 0.00 0.00 2.37 2.86 -0.90 -0.88 114.93 118.23 2bwj h MET 64 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2bwj h MET 64 Cb 0.15 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2bwj h MET 64 CO 0.00 0.35 -0.17 0.93 1.06 0.00 0.00 176.91 179.08 2bwj h GLU 65 N 0.00 0.00 -0.01 1.72 5.08 -1.27 -2.12 114.58 117.98 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 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2bwj h GLU 65 CO 0.05 0.17 -0.28 0.54 -1.00 0.00 0.00 179.01 178.48 2bwj n ARG 66 N -3.45 0.79 -1.23 2.33 1.74 -0.98 -4.92 116.66 110.94 2bwj n ARG 66 Ca -0.01 -0.47 -0.08 0.00 -0.77 0.00 0.00 57.85 56.53 2bwj n ARG 66 Cb 0.34 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 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 1.35 0.97 3.86 -0.13 0.00 -0.80 -5.01 105.19 105.44 2bwj n GLY 67 Ca 0.12 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.81 4.86 0.15 1.61 1.01 -0.37 -4.99 116.67 116.13 2bwj s ASP 68 Ca 0.00 1.06 -0.30 0.00 0.71 0.00 0.00 52.55 54.02 2bwj s ASP 68 Cb 0.00 -1.75 -0.07 0.00 1.01 0.00 0.00 42.92 42.10 2bwj s ASP 68 CO 0.00 -1.71 1.11 -0.22 0.21 0.00 0.00 175.17 174.56 2bwj s LEU 69 N -5.56 4.47 -0.24 1.23 2.96 -1.26 -4.50 118.68 115.78 2bwj s LEU 69 Ca 0.60 2.06 -0.25 0.00 -0.22 0.00 0.00 54.13 56.32 2bwj s LEU 69 Cb -0.12 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 2bwj s LEU 69 CO 0.52 -0.26 0.85 -0.69 -1.32 0.00 0.00 176.35 175.45 2bwj s VAL 70 N -0.00 4.82 0.51 1.68 1.01 -1.26 -4.99 120.40 122.18 2bwj s VAL 70 Ca 0.51 1.62 -0.21 0.00 0.00 0.00 0.00 61.98 63.90 2bwj s VAL 70 Cb -0.29 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 31.87 2bwj s VAL 70 CO 0.34 -0.08 0.93 -2.65 0.00 0.00 0.00 175.10 173.65 2bwj n PRO 71 N 5.98 1.07 -0.03 2.72 -0.02 -1.26 -4.87 135.00 138.59 2bwj n PRO 71 Ca 0.06 0.40 0.01 0.00 -2.02 0.00 0.00 63.50 61.95 2bwj n PRO 71 Cb 0.47 -2.06 0.32 0.00 -0.02 0.00 0.00 33.50 32.22 2bwj n PRO 71 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2bwj h SER 72 N 0.96 0.54 -0.37 2.55 0.02 -2.00 -2.27 113.55 112.98 2bwj h SER 72 Ca -0.46 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.41 2bwj h SER 72 Cb 1.35 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 2bwj h SER 72 CO 0.53 0.51 0.20 1.23 -1.14 0.00 0.00 176.83 178.17 2bwj h GLY 73 N 0.77 0.60 0.77 -3.77 0.00 -1.99 0.38 103.07 99.83 2bwj h GLY 73 Ca 0.14 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 2bwj h GLY 73 CO -0.01 0.25 -0.32 -2.22 0.00 0.00 0.00 176.54 174.24 2bwj h ILE 74 N 0.57 1.38 -0.42 2.60 5.03 -1.77 -0.81 117.51 124.09 2bwj h ILE 74 Ca 0.14 -1.63 -0.02 0.00 -0.12 0.00 0.00 64.86 63.23 2bwj h ILE 74 Cb 0.05 2.12 -0.02 0.00 -3.03 0.00 0.00 36.82 35.94 2bwj h ILE 74 CO -0.02 0.48 0.17 0.58 -0.68 0.00 0.00 178.15 178.68 2bwj h VAL 75 N -0.00 1.20 -0.85 1.67 2.07 -1.32 -2.04 116.25 116.97 2bwj h VAL 75 Ca -0.01 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.92 2bwj h VAL 75 Cb 0.93 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 2bwj h VAL 75 CO 0.07 0.22 0.56 0.25 0.02 0.00 0.00 177.57 178.69 2bwj h LEU 76 N 0.53 0.95 -0.09 2.57 5.85 -0.90 -0.55 115.31 123.68 2bwj h LEU 76 Ca 0.14 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2bwj h LEU 76 Cb 0.19 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2bwj h LEU 76 CO -0.01 0.68 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.67 2bwj h GLU 77 N 1.12 0.01 -0.74 1.25 4.81 -0.85 0.62 114.58 120.80 2bwj h GLU 77 Ca 0.32 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 2bwj h GLU 77 Cb -0.09 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 2bwj h GLU 77 CO -0.08 0.00 0.35 -0.07 -0.73 0.00 0.00 179.01 178.49 2bwj h LEU 78 N 0.01 0.96 -0.02 1.64 3.38 -0.92 -1.76 115.31 118.59 2bwj h LEU 78 Ca 0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2bwj h LEU 78 Cb 0.06 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2bwj h LEU 78 CO -0.09 0.81 0.01 0.25 0.09 0.00 0.00 178.44 179.51 2bwj h LEU 79 N 1.05 0.03 -0.87 1.67 5.85 -0.66 -1.78 115.31 120.60 2bwj h LEU 79 Ca 0.26 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2bwj h LEU 79 Cb 0.11 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 2bwj h LEU 79 CO -0.03 0.12 0.57 0.50 -0.34 0.00 0.00 178.44 179.25 2bwj h LYS 80 N -0.06 1.10 -0.67 1.25 3.64 -0.53 -1.24 116.57 120.06 2bwj h LYS 80 Ca 0.01 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 2bwj h LYS 80 Cb 0.10 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 2bwj h LYS 80 CO -0.00 0.72 0.13 0.93 -2.27 0.00 0.00 179.45 178.96 2bwj h GLU 81 N 1.13 1.09 -0.52 1.90 5.08 -1.25 0.09 114.58 122.10 2bwj h GLU 81 Ca 0.34 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2bwj h GLU 81 Cb -0.05 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2bwj h GLU 81 CO -0.10 0.99 0.00 0.00 -1.00 0.00 0.00 179.01 178.90 2bwj h ALA 82 N 1.10 1.02 -0.11 3.43 0.00 -0.77 -0.78 119.26 123.15 2bwj h ALA 82 Ca 0.21 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 2bwj h ALA 82 Cb 0.41 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2bwj h ALA 82 CO 0.01 0.61 -0.79 0.52 0.00 0.00 0.00 179.25 179.60 2bwj h MET 83 N 0.82 0.73 -0.44 0.00 2.86 -1.07 -2.39 114.93 115.44 2bwj h MET 83 Ca 0.15 -0.64 -0.03 0.00 -2.06 0.00 0.00 59.70 57.13 2bwj h MET 83 Cb 0.49 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 2bwj h MET 83 CO 0.02 1.24 0.16 0.28 1.06 0.00 0.00 176.91 179.67 2bwj h VAL 84 N 0.43 1.21 0.00 -2.22 2.07 -0.91 -1.39 116.25 115.45 2bwj h VAL 84 Ca -0.07 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 2bwj h VAL 84 Cb 1.43 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2bwj h VAL 84 CO 0.16 0.25 -0.13 0.00 0.02 0.00 0.00 177.57 177.87 2bwj h ALA 85 N 1.01 1.36 0.00 1.67 0.00 -1.12 -2.99 119.26 119.19 2bwj h ALA 85 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2bwj h ALA 85 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2bwj h ALA 85 CO -0.01 0.16 -1.35 0.43 0.00 0.00 0.00 179.25 178.48 2bwj n SER 86 N -3.76 0.51 -4.69 0.00 7.64 -0.90 -4.90 113.62 107.52 2bwj n SER 86 Ca -0.02 -0.29 -0.45 0.00 1.01 0.00 0.00 58.87 59.12 2bwj n SER 86 Cb 0.23 1.23 -0.04 0.00 -1.01 0.00 0.00 64.21 64.63 2bwj n SER 86 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2bwj n LEU 87 N -1.99 3.40 0.00 -3.43 7.94 -0.54 -1.86 117.00 120.52 2bwj n LEU 87 Ca 0.00 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 2bwj n LEU 87 Cb 0.46 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.94 2bwj n LEU 87 CO 0.43 -0.17 0.00 0.61 -1.11 0.00 0.00 177.39 177.15 2bwj n GLY 88 N 3.29 2.45 1.94 -3.96 0.00 -1.26 -4.77 105.19 102.87 2bwj n GLY 88 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 3.09 -3.80 1.61 5.75 -0.78 -5.06 116.55 117.36 2bwj n ASP 89 Ca 0.00 -3.15 -0.11 0.00 -0.01 0.00 0.00 54.79 51.52 2bwj n ASP 89 Cb 0.00 -0.41 -0.08 0.00 -1.03 0.00 0.00 41.12 39.60 2bwj n ASP 89 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2bwj s THR 90 N -3.70 0.09 -1.55 2.12 -1.32 -1.12 -5.02 115.64 105.15 2bwj s THR 90 Ca 0.41 -0.78 0.24 0.00 -1.21 0.00 0.00 61.69 60.34 2bwj s THR 90 Cb 0.38 -0.91 0.01 0.00 -1.51 0.00 0.00 72.50 70.47 2bwj s THR 90 CO -0.02 -0.43 1.21 0.54 -2.21 0.00 0.00 174.62 173.71 2bwj n ARG 91 N 0.67 0.63 0.00 7.08 1.74 -0.71 -4.97 116.66 121.10 2bwj n ARG 91 Ca -0.19 -0.47 0.00 0.00 -0.77 0.00 0.00 57.85 56.42 2bwj n ARG 91 Cb 0.59 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 2bwj n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bwj n GLY 92 N 1.43 1.93 3.38 -0.13 0.00 -1.26 -4.57 105.19 105.98 2bwj n GLY 92 Ca 0.08 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 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 2.81 -0.39 1.61 0.08 0.33 0.35 117.98 120.76 2bwj s PHE 93 Ca 0.00 -0.62 -0.07 0.00 0.12 0.00 0.00 56.93 56.36 2bwj s PHE 93 Cb 0.00 -1.83 0.07 0.00 -0.57 0.00 0.00 43.02 40.69 2bwj s PHE 93 CO 0.00 -0.19 0.19 -1.17 -0.10 0.00 0.00 175.22 173.95 2bwj s LEU 94 N 0.30 4.86 -0.37 -0.37 2.96 0.13 -1.15 118.68 125.04 2bwj s LEU 94 Ca -0.10 -1.50 -0.13 0.00 -0.22 0.00 0.00 54.13 52.18 2bwj s LEU 94 Cb -0.16 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.63 2bwj s LEU 94 CO 0.06 -0.46 0.25 -0.63 -1.32 0.00 0.00 176.35 174.24 2bwj s ILE 95 N 1.35 5.14 -0.22 6.68 1.01 0.32 -0.63 121.20 134.85 2bwj s ILE 95 Ca 0.02 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 2bwj s ILE 95 Cb -0.22 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 2bwj s ILE 95 CO 0.01 -0.14 0.13 -0.62 0.00 0.00 0.00 174.94 174.32 2bwj s ASP 96 N 1.68 6.00 -1.41 3.58 2.15 0.01 -1.43 116.67 127.26 2bwj s ASP 96 Ca 0.05 0.12 -0.03 0.00 0.43 0.00 0.00 52.55 53.12 2bwj s ASP 96 Cb -0.18 -2.07 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 2bwj s ASP 96 CO 0.10 0.11 0.38 0.61 -0.17 0.00 0.00 175.17 176.20 2bwj n GLY 97 N 4.00 -0.37 2.97 2.66 0.00 0.68 -4.38 105.19 110.76 2bwj n GLY 97 Ca -0.16 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.04 0.30 0.88 1.61 6.14 -1.26 -4.56 117.35 117.42 2bwj s TYR 98 Ca 0.19 -0.35 -0.13 0.00 0.64 0.00 0.00 57.07 57.41 2bwj s TYR 98 Cb -0.08 -0.20 0.13 0.00 0.42 0.00 0.00 41.96 42.23 2bwj s TYR 98 CO 0.24 -0.11 1.21 -1.25 0.64 0.00 0.00 175.55 176.28 2bwj s PRO 99 N -1.00 1.35 0.01 4.97 0.04 -1.26 -4.60 135.00 134.50 2bwj s PRO 99 Ca -0.09 -0.01 0.22 0.00 0.04 0.00 0.00 61.00 61.16 2bwj s PRO 99 Cb -0.07 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 2bwj s PRO 99 CO -0.00 -2.00 0.92 2.89 0.04 0.00 0.00 177.00 178.85 2bwj n ARG 100 N -3.57 0.18 -3.91 4.56 1.85 -1.26 -4.96 116.66 109.54 2bwj n ARG 100 Ca 0.10 -0.03 -0.09 0.00 -1.00 0.00 0.00 57.85 56.82 2bwj n ARG 100 Cb 0.60 -1.53 -0.06 0.00 -1.05 0.00 0.00 32.46 30.43 2bwj n ARG 100 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2bwj s GLU 101 N -3.13 1.34 0.04 2.89 -1.05 -1.26 -4.65 118.70 112.88 2bwj s GLU 101 Ca 0.05 -1.12 -0.22 0.00 -0.15 0.00 0.00 54.97 53.53 2bwj s GLU 101 Cb 0.15 0.45 -0.15 0.00 -0.44 0.00 0.00 34.13 34.14 2bwj s GLU 101 CO 0.84 -0.54 1.39 0.28 0.95 0.00 0.00 175.26 178.19 2bwj h VAL 102 N 2.36 1.31 -0.58 1.83 2.07 -1.93 -2.75 116.25 118.56 2bwj h VAL 102 Ca -0.29 -1.06 0.09 0.00 0.82 0.00 0.00 66.70 66.26 2bwj h VAL 102 Cb 1.24 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 2bwj h VAL 102 CO 0.41 0.30 0.39 0.07 0.02 0.00 0.00 177.57 178.76 2bwj h LYS 103 N -0.10 0.42 -0.40 1.57 -0.00 -1.98 0.11 116.57 116.18 2bwj h LYS 103 Ca 0.03 -0.03 -0.12 0.00 -0.00 0.00 0.00 60.65 60.53 2bwj h LYS 103 Cb 0.50 -0.10 -0.01 0.00 -0.00 0.00 0.00 32.23 32.62 2bwj h LYS 103 CO 0.02 0.28 -0.25 0.37 -0.00 0.00 0.00 179.45 179.87 2bwj h GLN 104 N 0.44 0.83 -0.57 0.07 4.15 -1.96 -0.39 115.11 117.68 2bwj h GLN 104 Ca 0.26 -0.35 -0.08 0.00 0.77 0.00 0.00 58.65 59.25 2bwj h GLN 104 Cb 0.47 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 2bwj h GLN 104 CO -0.07 0.99 0.05 0.78 -1.93 0.00 0.00 178.83 178.64 2bwj h GLY 105 N 0.93 1.06 1.00 2.39 0.00 -0.88 -1.52 103.07 106.05 2bwj h GLY 105 Ca 0.09 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.68 2bwj h GLY 105 CO 0.06 0.69 0.41 0.83 0.00 0.00 0.00 176.54 178.53 2bwj h GLU 106 N 0.87 0.87 -0.48 4.80 5.08 -0.66 -1.98 114.58 123.09 2bwj h GLU 106 Ca 0.17 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2bwj h GLU 106 Cb 0.48 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2bwj h GLU 106 CO 0.02 0.60 0.25 1.49 -1.00 0.00 0.00 179.01 180.37 2bwj h GLU 107 N 0.88 0.68 -0.86 2.33 4.57 -1.01 -1.75 114.58 119.42 2bwj h GLU 107 Ca 0.24 -0.09 0.08 0.00 -1.18 0.00 0.00 59.36 58.41 2bwj h GLU 107 Cb -0.06 -0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 28.33 2bwj h GLU 107 CO -0.05 0.55 0.51 0.35 -1.18 0.00 0.00 179.01 179.19 2bwj h PHE 108 N 0.63 0.93 -0.60 0.92 3.57 -1.08 -0.27 116.94 121.05 2bwj h PHE 108 Ca 0.17 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 2bwj h PHE 108 Cb 0.08 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 2bwj h PHE 108 CO -0.01 0.42 -0.01 0.78 -2.23 0.00 0.00 178.31 177.25 2bwj h GLY 109 N 0.88 1.14 0.96 2.40 0.00 -0.82 0.28 103.07 107.91 2bwj h GLY 109 Ca 0.40 -0.83 -0.18 0.00 0.00 0.00 0.00 47.33 46.71 2bwj h GLY 109 CO -0.22 0.77 -0.65 3.21 0.00 0.00 0.00 176.54 179.64 2bwj h ARG 110 N 0.96 0.58 0.00 4.80 3.08 -1.08 -3.27 114.38 119.44 2bwj h ARG 110 Ca 0.17 -0.52 -0.06 0.00 0.07 0.00 0.00 59.98 59.64 2bwj h ARG 110 Cb 0.56 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2bwj h ARG 110 CO 0.03 1.14 -1.02 0.00 -1.07 0.00 0.00 179.97 179.06 2bwj h ARG 111 N 0.20 0.00 0.00 0.04 2.47 -0.91 -3.44 114.38 112.73 2bwj h ARG 111 Ca -0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2bwj h ARG 111 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 2bwj h ARG 111 CO 0.13 0.13 0.00 -0.89 0.56 0.00 0.00 179.97 179.90 2bwj n ILE 112 N -2.82 0.18 0.00 2.04 5.41 0.92 -5.06 119.36 120.04 2bwj n ILE 112 Ca -0.03 0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.78 2bwj n ILE 112 Cb 0.65 -0.66 0.00 0.00 -0.71 0.00 0.00 39.64 38.92 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 2.50 0.73 3.68 7.39 0.00 -0.71 -3.30 105.19 115.49 2bwj n GLY 113 Ca 0.00 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 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 6.63 0.29 1.61 1.01 -1.26 -3.84 116.67 121.11 2bwj s ASP 114 Ca 0.00 0.76 -0.30 0.00 0.71 0.00 0.00 52.55 53.72 2bwj s ASP 114 Cb 0.00 -2.30 -0.11 0.00 1.01 0.00 0.00 42.92 41.52 2bwj s ASP 114 CO 0.00 -0.12 1.49 -2.16 0.21 0.00 0.00 175.17 174.59 2bwj s PRO 115 N 1.27 4.20 0.23 8.23 0.04 -1.26 -4.76 135.00 142.95 2bwj s PRO 115 Ca 0.26 2.43 0.25 0.00 0.04 0.00 0.00 61.00 63.98 2bwj s PRO 115 Cb -0.15 -3.06 0.58 0.00 0.04 0.00 0.00 34.50 31.90 2bwj s PRO 115 CO 0.10 -0.50 1.60 1.96 0.04 0.00 0.00 177.00 180.21 2bwj h GLN 116 N 4.61 0.00 -2.76 4.56 7.50 -1.46 -3.45 115.11 124.11 2bwj h GLN 116 Ca -0.47 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 58.54 2bwj h GLN 116 Cb 1.22 0.00 -0.28 0.00 0.05 0.00 0.00 27.48 28.48 2bwj h GLN 116 CO 0.76 0.00 -0.36 -1.17 -1.50 0.00 0.00 178.83 176.56 2bwj s LEU 117 N -4.80 0.04 -0.22 1.46 2.96 -1.22 -3.91 118.68 112.99 2bwj s LEU 117 Ca 0.08 0.78 -0.03 0.00 -0.22 0.00 0.00 54.13 54.74 2bwj s LEU 117 Cb 0.11 1.15 -0.01 0.00 0.50 0.00 0.00 46.19 47.95 2bwj s LEU 117 CO 0.65 -0.19 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.74 2bwj s VAL 118 N 1.42 3.26 -0.21 1.68 1.01 0.23 -1.45 120.40 126.33 2bwj s VAL 118 Ca -0.09 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 2bwj s VAL 118 Cb -0.09 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 2bwj s VAL 118 CO -0.11 0.43 0.14 -0.63 0.00 0.00 0.00 175.10 174.93 2bwj s ILE 119 N 1.44 5.36 -0.21 2.22 1.01 0.48 -1.02 121.20 130.48 2bwj s ILE 119 Ca 0.05 0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.85 2bwj s ILE 119 Cb -0.14 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.86 2bwj s ILE 119 CO -0.04 0.40 -0.08 0.00 0.00 0.00 0.00 174.94 175.23 2bwj s MET 121 N 1.43 3.20 0.04 0.00 -1.94 0.33 -0.00 119.30 122.37 2bwj s MET 121 Ca 0.05 -1.10 -0.30 0.00 -1.71 0.00 0.00 55.69 52.63 2bwj s MET 121 Cb -0.14 -4.38 -0.04 0.00 2.01 0.00 0.00 34.83 32.27 2bwj s MET 121 CO -0.06 -1.77 1.03 -0.51 -0.01 0.00 0.00 175.02 173.70 2bwj s ASP 122 N 3.67 7.33 -0.12 3.03 1.01 0.91 -4.30 116.67 128.20 2bwj s ASP 122 Ca 0.23 1.78 -0.16 0.00 0.71 0.00 0.00 52.55 55.11 2bwj s ASP 122 Cb -0.15 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.24 2bwj s ASP 122 CO 0.05 -0.27 0.42 0.00 0.21 0.00 0.00 175.17 175.59 2bwj s SER 124 N -0.27 5.19 0.20 0.00 1.04 -1.26 -4.87 113.70 113.73 2bwj s SER 124 Ca -0.04 1.83 -0.09 0.00 0.48 0.00 0.00 55.95 58.13 2bwj s SER 124 Cb -0.03 -2.53 0.14 0.00 0.10 0.00 0.00 66.02 63.69 2bwj s SER 124 CO 0.02 -1.57 1.76 0.00 0.98 0.00 0.00 173.24 174.43 2bwj h ALA 125 N -0.29 0.97 -0.74 5.32 0.00 -2.01 -0.69 119.26 121.82 2bwj h ALA 125 Ca -0.45 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.28 2bwj h ALA 125 Cb 1.23 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2bwj h ALA 125 CO 0.55 0.62 0.47 -0.44 0.00 0.00 0.00 179.25 180.45 2bwj h ASP 126 N 1.09 0.78 -0.11 0.00 3.32 -1.99 0.08 116.42 119.59 2bwj h ASP 126 Ca 0.25 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.13 2bwj h ASP 126 Cb 0.24 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.63 2bwj h ASP 126 CO -0.02 0.55 -0.57 0.74 -1.72 0.00 0.00 179.24 178.22 2bwj h THR 127 N 0.93 1.35 -0.27 0.35 2.02 -1.86 -1.83 112.91 113.59 2bwj h THR 127 Ca 0.29 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.60 2bwj h THR 127 Cb -0.01 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2bwj h THR 127 CO -0.10 0.57 0.18 0.24 0.37 0.00 0.00 175.52 176.78 2bwj h MET 128 N 0.21 0.36 -0.27 6.66 2.86 -1.06 -1.50 114.93 122.19 2bwj h MET 128 Ca -0.04 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.64 2bwj h MET 128 Cb 1.22 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.73 2bwj h MET 128 CO 0.12 0.24 -0.15 1.15 1.06 0.00 0.00 176.91 179.33 2bwj h THR 129 N 0.37 0.56 -0.52 2.22 2.02 -1.00 -1.06 112.91 115.49 2bwj h THR 129 Ca 0.10 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 2bwj h THR 129 Cb -0.04 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2bwj h THR 129 CO -0.02 0.00 0.23 -1.13 0.37 0.00 0.00 175.52 174.97 2bwj h ASN 130 N -0.12 0.69 -0.48 4.18 -0.73 -1.19 -0.63 115.58 117.31 2bwj h ASN 130 Ca 0.14 -0.14 0.01 0.00 1.87 0.00 0.00 56.30 58.18 2bwj h ASN 130 Cb 0.33 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.72 2bwj h ASN 130 CO -0.34 0.64 0.30 0.03 -0.37 0.00 0.00 177.43 177.70 2bwj h ARG 131 N 0.69 0.60 -0.49 6.67 3.08 -1.11 -1.43 114.38 122.40 2bwj h ARG 131 Ca 0.18 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 2bwj h ARG 131 Cb 0.15 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2bwj h ARG 131 CO -0.02 0.40 0.02 -0.07 -1.07 0.00 0.00 179.97 179.22 2bwj h LEU 132 N 0.62 0.77 -1.05 3.04 3.38 -1.07 -1.85 115.31 119.15 2bwj h LEU 132 Ca 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2bwj h LEU 132 Cb -0.05 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2bwj h LEU 132 CO -0.05 0.83 0.42 -0.07 0.09 0.00 0.00 178.44 179.66 2bwj h LEU 133 N 0.75 0.97 -1.84 1.67 3.38 -0.89 -1.23 115.31 118.12 2bwj h LEU 133 Ca 0.15 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2bwj h LEU 133 Cb 0.43 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2bwj h LEU 133 CO 0.02 0.78 -0.14 1.56 0.09 0.00 0.00 178.44 180.75 2bwj h GLN 134 N 1.09 0.00 -0.33 1.13 4.20 -0.66 -2.18 115.11 118.37 2bwj h GLN 134 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2bwj h GLN 134 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2bwj h GLN 134 CO -0.04 0.14 0.00 -1.33 -0.67 0.00 0.00 178.83 176.93 2bwj n MET 135 N -3.85 2.41 -2.35 1.46 2.81 -0.75 -5.00 117.12 111.84 2bwj n MET 135 Ca -0.02 -2.11 -0.37 0.00 -1.81 0.00 0.00 57.70 53.38 2bwj n MET 135 Cb 0.24 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.23 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 -1.56 6.49 -0.17 7.83 0.15 -0.50 -4.94 113.70 121.00 2bwj s SER 136 Ca 0.37 2.26 0.15 0.00 0.70 0.00 0.00 55.95 59.43 2bwj s SER 136 Cb 0.22 -2.60 0.35 0.00 -1.71 0.00 0.00 66.02 62.28 2bwj s SER 136 CO 0.31 -0.69 1.19 0.54 1.20 0.00 0.00 173.24 175.79 2bwj n ARG 137 N -0.11 1.46 -1.83 5.44 5.12 -1.26 -5.06 116.66 120.41 2bwj n ARG 137 Ca 0.05 -2.90 -0.42 0.00 -1.93 0.00 0.00 57.85 52.66 2bwj n ARG 137 Cb 0.48 -1.56 -0.02 0.00 -1.16 0.00 0.00 32.46 30.19 2bwj n ARG 137 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2bwj s SER 138 N -3.00 6.47 -0.07 0.55 0.15 -1.26 -4.90 113.70 111.64 2bwj s SER 138 Ca 0.35 2.80 0.19 0.00 0.70 0.00 0.00 55.95 59.99 2bwj s SER 138 Cb 0.32 -2.61 0.66 0.00 -1.71 0.00 0.00 66.02 62.68 2bwj s SER 138 CO -0.01 -0.88 1.56 -1.20 1.20 0.00 0.00 173.24 173.91 2bwj n SER 139 N 3.20 4.25 -4.73 5.45 7.64 -1.26 -4.96 113.62 123.22 2bwj n SER 139 Ca 0.12 -2.27 -0.24 0.00 1.01 0.00 0.00 58.87 57.49 2bwj n SER 139 Cb 0.37 -0.53 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.48 3.51 0.87 -3.43 1.43 -1.26 -5.11 118.68 113.21 2bwj s LEU 140 Ca 0.48 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 53.07 2bwj s LEU 140 Cb 0.29 -2.09 0.06 0.00 0.03 0.00 0.00 46.19 44.48 2bwj s LEU 140 CO 0.26 0.02 0.79 -2.65 0.23 0.00 0.00 176.35 175.01 2bwj n PRO 141 N -0.68 -0.10 0.15 1.29 -0.02 -1.26 -4.67 135.00 129.72 2bwj n PRO 141 Ca -0.08 0.03 0.06 0.00 -2.02 0.00 0.00 63.50 61.49 2bwj n PRO 141 Cb 0.57 -2.12 0.52 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.25 1.08 -0.22 -1.45 3.04 -1.98 -0.97 116.25 114.50 2bwj h VAL 142 Ca -0.44 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 64.97 2bwj h VAL 142 Cb 1.30 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 31.49 2bwj h VAL 142 CO 0.40 0.09 0.08 0.44 -1.01 0.00 0.00 177.57 177.57 2bwj h ASP 143 N 0.20 0.31 -0.29 3.17 3.32 -1.99 0.15 116.42 121.30 2bwj h ASP 143 Ca 0.05 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 2bwj h ASP 143 Cb 0.08 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2bwj h ASP 143 CO -0.00 0.41 -0.03 0.44 -1.72 0.00 0.00 179.24 178.33 2bwj h ASP 144 N 0.20 0.54 -0.53 6.45 5.19 -1.84 -2.13 116.42 124.28 2bwj h ASP 144 Ca 0.07 -0.34 0.03 0.00 -0.62 0.00 0.00 57.03 56.17 2bwj h ASP 144 Cb 0.20 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 39.53 2bwj h ASP 144 CO -0.00 0.74 0.32 0.74 -3.12 0.00 0.00 179.24 177.92 2bwj h THR 145 N 0.32 1.05 -0.12 0.35 2.02 -1.13 -2.68 112.91 112.72 2bwj h THR 145 Ca 0.08 -0.22 -0.13 0.00 0.77 0.00 0.00 66.41 66.91 2bwj h THR 145 Cb 0.49 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2bwj h THR 145 CO 0.02 0.12 -0.49 0.74 0.37 0.00 0.00 175.52 176.28 2bwj h THR 146 N 0.63 1.34 -0.83 3.16 2.02 -0.65 -2.13 112.91 116.44 2bwj h THR 146 Ca 0.22 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.68 2bwj h THR 146 Cb 0.03 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 2bwj h THR 146 CO -0.10 0.52 0.53 0.11 0.37 0.00 0.00 175.52 176.95 2bwj h LYS 147 N 0.26 1.10 -0.23 6.66 1.57 -1.14 0.85 116.57 125.64 2bwj h LYS 147 Ca 0.01 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.55 2bwj h LYS 147 Cb 0.96 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 2bwj h LYS 147 CO 0.08 0.74 -0.52 1.15 -0.57 0.00 0.00 179.45 180.33 2bwj h THR 148 N 1.13 1.30 -0.59 -0.16 2.02 -1.25 -2.45 112.91 112.92 2bwj h THR 148 Ca 0.30 -1.74 -0.04 0.00 0.77 0.00 0.00 66.41 65.70 2bwj h THR 148 Cb -0.10 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 2bwj h THR 148 CO -0.06 0.55 0.21 0.40 0.37 0.00 0.00 175.52 176.99 2bwj h ILE 149 N 0.52 1.23 -1.00 3.11 2.04 -0.98 -2.26 117.51 120.17 2bwj h ILE 149 Ca 0.02 -0.77 0.10 0.00 1.00 0.00 0.00 64.86 65.21 2bwj h ILE 149 Cb 1.08 0.64 -0.08 0.00 -0.74 0.00 0.00 36.82 37.72 2bwj h ILE 149 CO 0.11 0.29 0.64 0.00 0.00 0.00 0.00 178.15 179.19 2bwj h ALA 150 N 1.06 1.49 -0.55 1.87 0.00 -0.74 -1.75 119.26 120.64 2bwj h ALA 150 Ca 0.19 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2bwj h ALA 150 Cb 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2bwj h ALA 150 CO -0.01 0.29 0.07 0.87 0.00 0.00 0.00 179.25 180.47 2bwj h LYS 151 N 1.05 0.88 -1.00 0.00 1.57 -1.12 -0.86 116.57 117.09 2bwj h LYS 151 Ca 0.48 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 59.06 2bwj h LYS 151 Cb 0.40 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 2bwj h LYS 151 CO -0.24 0.83 0.66 0.00 -0.57 0.00 0.00 179.45 180.13 2bwj h ARG 152 N 0.83 1.29 -0.23 3.15 3.08 -0.79 -1.68 114.38 120.03 2bwj h ARG 152 Ca 0.17 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.99 2bwj h ARG 152 Cb 0.40 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2bwj h ARG 152 CO 0.01 0.85 -0.46 -0.07 -1.07 0.00 0.00 179.97 179.24 2bwj h LEU 153 N 1.32 0.80 -0.75 3.04 3.38 -1.05 -2.51 115.31 119.54 2bwj h LEU 153 Ca 0.37 -0.54 0.12 0.00 0.09 0.00 0.00 57.88 57.92 2bwj h LEU 153 Cb -0.11 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.32 2bwj h LEU 153 CO -0.09 1.20 0.35 -0.33 0.09 0.00 0.00 178.44 179.65 2bwj h GLU 154 N 0.44 0.53 -0.42 1.13 5.08 -1.07 0.11 114.58 120.38 2bwj h GLU 154 Ca 0.01 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2bwj h GLU 154 Cb 1.06 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2bwj h GLU 154 CO 0.10 0.35 -0.21 0.00 -1.00 0.00 0.00 179.01 178.25 2bwj h ALA 155 N 1.50 0.84 -0.29 3.43 0.00 -1.25 -1.85 119.26 121.63 2bwj h ALA 155 Ca 0.39 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2bwj h ALA 155 Cb 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2bwj h ALA 155 CO -0.34 0.64 0.15 -0.92 0.00 0.00 0.00 179.25 178.79 2bwj h TYR 156 N 0.73 0.40 -0.66 0.00 3.20 -0.85 -2.40 116.97 117.38 2bwj h TYR 156 Ca 0.10 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 2bwj h TYR 156 Cb 0.74 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 2bwj h TYR 156 CO 0.04 0.34 0.21 1.88 -1.64 0.00 0.00 178.16 178.99 2bwj h TYR 157 N 0.35 1.03 -0.58 -3.82 0.05 -0.59 -0.93 116.97 112.47 2bwj h TYR 157 Ca 0.10 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2bwj h TYR 157 Cb 0.08 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.48 2bwj h TYR 157 CO -0.03 0.82 0.37 0.00 -1.05 0.00 0.00 178.16 178.26 2bwj h ARG 158 N 0.97 0.78 -0.03 4.88 3.08 -1.29 -2.18 114.38 120.58 2bwj h ARG 158 Ca 0.22 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 2bwj h ARG 158 Cb 0.26 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2bwj h ARG 158 CO -0.01 0.54 -0.64 0.00 -1.07 0.00 0.00 179.97 178.80 2bwj h ALA 159 N 1.19 0.87 0.04 0.04 0.00 -1.00 -3.39 119.26 117.01 2bwj h ALA 159 Ca 0.21 -0.57 -0.38 0.00 0.00 0.00 0.00 54.91 54.17 2bwj h ALA 159 Cb -0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2bwj h ALA 159 CO -0.04 0.77 -2.30 -1.13 0.00 0.00 0.00 179.25 176.54 2bwj n SER 160 N -3.82 2.02 0.01 0.00 3.41 -0.39 -4.35 113.62 110.49 2bwj n SER 160 Ca -0.02 0.02 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 2bwj n SER 160 Cb 0.64 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 2bwj n SER 160 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2bwj h ILE 161 N -0.08 0.80 -0.76 -1.33 2.04 -1.59 0.64 117.51 117.24 2bwj h ILE 161 Ca -0.53 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 2bwj h ILE 161 Cb 1.90 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 2bwj h ILE 161 CO -0.06 0.00 0.34 -0.65 0.00 0.00 0.00 178.15 177.77 2bwj h PRO 162 N -0.07 1.10 -0.05 2.37 0.11 -1.81 -1.94 132.00 131.70 2bwj h PRO 162 Ca 0.06 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 2bwj h PRO 162 Cb 0.16 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 2bwj h PRO 162 CO -0.13 0.87 -0.01 0.28 -0.21 0.00 0.00 178.00 178.80 2bwj h VAL 163 N 1.08 1.27 -0.54 3.15 2.07 -1.65 -1.15 116.25 120.49 2bwj h VAL 163 Ca 0.26 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.96 2bwj h VAL 163 Cb 0.15 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 2bwj h VAL 163 CO -0.03 0.23 0.35 0.40 0.02 0.00 0.00 177.57 178.54 2bwj h ILE 164 N -0.22 1.11 -0.72 4.57 2.04 -0.84 -1.38 117.51 122.06 2bwj h ILE 164 Ca 0.01 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.65 2bwj h ILE 164 Cb 0.37 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2bwj h ILE 164 CO 0.00 0.13 0.47 0.00 0.00 0.00 0.00 178.15 178.75 2bwj h ALA 165 N 1.22 0.92 0.27 1.87 0.00 -1.28 -1.89 119.26 120.37 2bwj h ALA 165 Ca 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2bwj h ALA 165 Cb -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2bwj h ALA 165 CO -0.06 0.31 -0.13 -0.92 0.00 0.00 0.00 179.25 178.44 2bwj h TYR 166 N 0.95 -0.34 0.00 0.00 3.20 -0.84 -3.21 116.97 116.73 2bwj h TYR 166 Ca 0.27 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2bwj h TYR 166 Cb -0.08 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2bwj h TYR 166 CO -0.03 -0.15 0.00 1.88 -1.64 0.00 0.00 178.16 178.22 2bwj h TYR 167 N -0.45 0.00 -0.91 -3.82 0.05 -1.14 -1.20 116.97 109.51 2bwj h TYR 167 Ca -0.04 0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.86 2bwj h TYR 167 Cb 0.34 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.01 2bwj h TYR 167 CO -0.03 0.00 0.58 0.93 -1.05 0.00 0.00 178.16 178.59 2bwj h GLU 168 N 0.00 0.79 0.00 4.88 5.08 -1.34 -1.14 114.58 122.85 2bwj h GLU 168 Ca 0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2bwj h GLU 168 Cb 0.49 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2bwj h GLU 168 CO 0.00 0.53 -0.14 1.79 -1.00 0.00 0.00 179.01 180.19 2bwj h THR 169 N 0.82 0.12 0.00 1.13 1.35 -1.28 -3.40 112.91 111.65 2bwj h THR 169 Ca 0.44 -1.17 -0.21 0.00 -0.55 0.00 0.00 66.41 64.92 2bwj h THR 169 Cb 0.55 2.03 -0.04 0.00 -1.73 0.00 0.00 68.15 68.96 2bwj h THR 169 CO -0.20 0.07 -1.78 0.29 -0.25 0.00 0.00 175.52 173.64 2bwj n LYS 170 N -3.09 1.83 -1.14 4.72 4.76 -0.94 -5.08 118.16 119.22 2bwj n LYS 170 Ca 0.03 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2bwj n LYS 170 Cb 0.56 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 2bwj n LYS 170 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 2bwj n THR 171 N -2.51 0.00 -2.81 -0.18 5.66 -0.48 -5.09 114.28 108.88 2bwj n THR 171 Ca -0.20 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.38 2bwj n THR 171 Cb 0.85 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.60 2bwj n THR 171 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2bwj s GLN 172 N -1.04 4.25 -0.16 1.09 -1.52 -1.25 -4.68 119.66 116.34 2bwj s GLN 172 Ca 0.00 1.11 0.02 0.00 -1.95 0.00 0.00 55.36 54.54 2bwj s GLN 172 Cb 0.00 -3.62 0.02 0.00 -0.22 0.00 0.00 33.01 29.18 2bwj s GLN 172 CO 0.00 -0.50 -0.20 -1.17 -0.25 0.00 0.00 175.29 173.17 2bwj s LEU 173 N 2.74 2.07 -0.19 2.90 0.20 -1.26 -0.60 118.68 124.53 2bwj s LEU 173 Ca 0.39 -0.61 -0.02 0.00 0.69 0.00 0.00 54.13 54.59 2bwj s LEU 173 Cb -0.16 -1.42 -0.00 0.00 -0.43 0.00 0.00 46.19 44.18 2bwj s LEU 173 CO 0.09 0.03 -0.10 -1.00 -0.29 0.00 0.00 176.35 175.08 2bwj s HIS 174 N 1.07 2.89 -0.28 5.38 3.76 -0.19 -4.98 115.29 122.93 2bwj s HIS 174 Ca -0.01 -1.05 -0.19 0.00 -0.15 0.00 0.00 55.06 53.65 2bwj s HIS 174 Cb -0.14 -2.01 -0.02 0.00 1.11 0.00 0.00 32.58 31.52 2bwj s HIS 174 CO -0.07 -0.55 0.59 0.15 -0.85 0.00 0.00 174.74 174.01 2bwj s LYS 175 N 1.22 3.98 -0.18 1.40 1.02 -1.26 -1.02 119.74 124.90 2bwj s LYS 175 Ca 0.02 0.34 -0.09 0.00 0.02 0.00 0.00 55.97 56.26 2bwj s LYS 175 Cb -0.14 -3.69 -0.05 0.00 -0.52 0.00 0.00 37.83 33.43 2bwj s LYS 175 CO -0.04 -0.47 0.13 0.42 -0.92 0.00 0.00 175.35 174.47 2bwj s ILE 176 N 2.49 5.40 -0.60 2.17 1.09 1.00 -4.94 121.20 127.80 2bwj s ILE 176 Ca 0.24 0.18 -0.27 0.00 -1.10 0.00 0.00 60.65 59.70 2bwj s ILE 176 Cb -0.15 -3.43 0.01 0.00 -1.06 0.00 0.00 42.46 37.82 2bwj s ILE 176 CO 0.10 0.48 1.51 0.21 -0.10 0.00 0.00 174.94 177.15 2bwj s ASN 177 N 0.03 5.92 -0.10 3.58 3.84 -1.26 -0.06 114.94 126.88 2bwj s ASN 177 Ca 0.09 0.19 0.12 0.00 0.21 0.00 0.00 52.86 53.47 2bwj s ASN 177 Cb -0.11 -2.54 0.52 0.00 -0.55 0.00 0.00 41.25 38.57 2bwj s ASN 177 CO -0.00 -1.90 1.37 0.00 -2.79 0.00 0.00 177.10 173.78 2bwj n ALA 178 N 10.34 3.04 0.57 1.71 0.00 0.11 -3.86 120.51 132.42 2bwj n ALA 178 Ca 0.13 -1.16 0.13 0.00 0.00 0.00 0.00 53.44 52.54 2bwj n ALA 178 Cb 0.50 -1.04 0.36 0.00 0.00 0.00 0.00 19.45 19.27 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 2.88 0.00 0.00 0.00 4.39 -1.89 -3.47 114.58 116.49 2bwj h GLU 179 Ca 0.00 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 2bwj h GLU 179 Cb 1.19 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.93 2bwj h GLU 179 CO 0.20 0.00 0.20 0.41 -1.16 0.00 0.00 179.01 178.67 2bwj n GLY 180 N 1.28 -1.49 3.73 -3.84 0.00 -1.25 -5.03 105.19 98.60 2bwj n GLY 180 Ca 0.05 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.48 2.63 0.49 2.61 -4.23 -1.26 -4.79 115.64 108.60 2bwj s THR 181 Ca 0.40 0.28 0.15 0.00 -1.18 0.00 0.00 61.69 61.33 2bwj s THR 181 Cb -0.01 -2.75 0.29 0.00 1.34 0.00 0.00 72.50 71.36 2bwj s THR 181 CO 0.28 -0.19 2.09 -0.65 -0.54 0.00 0.00 174.62 175.61 2bwj h PRO 182 N -0.50 0.17 -0.12 3.99 0.11 -1.95 -0.90 132.00 132.80 2bwj h PRO 182 Ca -0.46 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 2bwj h PRO 182 Cb 1.27 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2bwj h PRO 182 CO 0.50 0.11 -0.71 1.05 -0.21 0.00 0.00 178.00 178.74 2bwj h GLU 183 N 0.18 0.53 -0.46 1.05 9.09 -1.99 -0.80 114.58 122.17 2bwj h GLU 183 Ca 0.09 -0.42 -0.11 0.00 0.05 0.00 0.00 59.36 58.98 2bwj h GLU 183 Cb 0.16 0.08 -0.02 0.00 -1.65 0.00 0.00 28.75 27.33 2bwj h GLU 183 CO -0.02 1.04 -0.15 0.22 0.05 0.00 0.00 179.01 180.15 2bwj h ASP 184 N 0.37 0.89 -0.55 3.06 3.58 -1.79 -2.04 116.42 119.94 2bwj h ASP 184 Ca -0.03 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.11 2bwj h ASP 184 Cb 1.30 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 42.08 2bwj h ASP 184 CO 0.13 1.04 0.30 0.58 -2.88 0.00 0.00 179.24 178.40 2bwj h VAL 185 N 0.78 1.19 -0.63 2.25 2.07 -1.05 -2.19 116.25 118.68 2bwj h VAL 185 Ca 0.12 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.18 2bwj h VAL 185 Cb 0.68 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2bwj h VAL 185 CO 0.05 0.20 0.39 0.15 0.02 0.00 0.00 177.57 178.39 2bwj h PHE 186 N 0.74 0.74 -0.29 1.57 3.57 -1.03 -1.02 116.94 121.23 2bwj h PHE 186 Ca 0.19 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.76 2bwj h PHE 186 Cb 0.06 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 2bwj h PHE 186 CO -0.01 0.43 0.03 1.25 -2.23 0.00 0.00 178.31 177.79 2bwj h LEU 187 N 0.78 -0.04 -0.77 0.59 6.46 -1.14 -1.29 115.31 119.91 2bwj h LEU 187 Ca 0.25 0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.99 2bwj h LEU 187 Cb -0.01 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 2bwj h LEU 187 CO -0.09 0.01 0.09 1.56 -0.62 0.00 0.00 178.44 179.39 2bwj h GLN 188 N 0.13 1.02 -0.28 1.25 4.20 -1.09 -1.33 115.11 119.01 2bwj h GLN 188 Ca 0.13 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.58 2bwj h GLN 188 Cb 0.16 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2bwj h GLN 188 CO -0.20 0.94 0.19 -0.07 -0.67 0.00 0.00 178.83 179.02 2bwj h LEU 189 N 0.96 0.33 -0.74 1.46 3.38 -0.85 -1.79 115.31 118.06 2bwj h LEU 189 Ca 0.19 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2bwj h LEU 189 Cb 0.43 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2bwj h LEU 189 CO 0.01 0.24 0.09 0.00 0.09 0.00 0.00 178.44 178.88 2bwj h THR 191 N 0.99 0.86 0.07 0.00 2.02 -1.16 -0.74 112.91 114.95 2bwj h THR 191 Ca 0.19 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.31 2bwj h THR 191 Cb 0.44 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2bwj h THR 191 CO 0.01 0.04 -0.09 0.00 0.37 0.00 0.00 175.52 175.85 2bwj h ALA 192 N 1.23 -0.16 -0.47 6.16 0.00 -0.95 -1.55 119.26 123.52 2bwj h ALA 192 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2bwj h ALA 192 Cb 0.16 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2bwj h ALA 192 CO -0.19 -0.61 0.15 0.82 0.00 0.00 0.00 179.25 179.42 2bwj h ILE 193 N -0.19 1.22 -0.27 0.00 2.04 -1.17 -2.61 117.51 116.53 2bwj h ILE 193 Ca 0.01 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 2bwj h ILE 193 Cb 0.20 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2bwj h ILE 193 CO -0.04 0.27 0.02 0.44 0.00 0.00 0.00 178.15 178.83 2bwj h ASP 194 N 0.62 0.37 0.66 1.72 3.32 -1.08 -1.33 116.42 120.70 2bwj h ASP 194 Ca 0.15 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 2bwj h ASP 194 Cb 0.27 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2bwj h ASP 194 CO -0.01 0.42 -0.34 0.77 -1.72 0.00 0.00 179.24 178.36 2bwj h SER 195 N 0.39 0.00 0.07 6.45 4.64 -0.90 -3.28 113.55 120.92 2bwj h SER 195 Ca 0.09 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.14 2bwj h SER 195 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2bwj h SER 195 CO 0.00 0.34 -1.47 0.40 -0.87 0.00 0.00 176.83 175.23 2bwj h ILE 196 N 0.00 0.90 -1.62 0.95 1.08 -1.25 -3.40 117.51 114.18 2bwj h ILE 196 Ca -0.00 -2.30 -0.76 0.00 -0.39 0.00 0.00 64.86 61.40 2bwj h ILE 196 Cb 0.77 2.50 -0.17 0.00 -3.07 0.00 0.00 36.82 36.84 2bwj h ILE 196 CO 0.04 0.61 1.87 0.49 -0.69 0.00 0.00 178.15 180.48 2bwj n PHE 197 N -4.01 2.70 0.00 1.37 3.72 -0.54 -5.13 117.46 115.57 2bwj n PHE 197 Ca -0.29 -2.74 0.00 0.00 -0.05 0.00 0.00 57.45 54.37 2bwj n PHE 197 Cb 0.85 -1.75 0.00 0.00 -0.94 0.00 0.00 39.48 37.63 2bwj n PHE 197 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99