#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhw s GLN 4 N 0.00 1.34 0.25 5.55 -2.07 -1.26 -5.01 119.66 118.46 1bhw s GLN 4 Ca 0.00 -0.63 -0.30 0.00 -1.82 0.00 0.00 55.36 52.61 1bhw s GLN 4 Cb 0.00 -1.31 -0.09 0.00 -1.09 0.00 0.00 33.01 30.52 1bhw s GLN 4 CO 0.00 0.36 0.97 0.00 -1.32 0.00 0.00 175.29 175.30 1bhw s ALA 5 N -0.45 3.35 0.32 2.60 0.00 -1.26 -5.06 121.76 121.25 1bhw s ALA 5 Ca 0.06 0.67 0.09 0.00 0.00 0.00 0.00 51.96 52.79 1bhw s ALA 5 Cb -0.07 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 1bhw s ALA 5 CO -0.00 0.14 -0.01 0.95 0.00 0.00 0.00 175.76 176.83 1bhw s THR 6 N -1.20 2.81 0.56 0.00 -4.23 -1.26 -4.88 115.64 107.44 1bhw s THR 6 Ca 0.42 -2.00 0.42 0.00 -1.18 0.00 0.00 61.69 59.35 1bhw s THR 6 Cb -0.27 -2.75 0.44 0.00 1.34 0.00 0.00 72.50 71.26 1bhw s THR 6 CO 0.33 -0.26 2.30 0.03 -0.54 0.00 0.00 174.62 176.48 1bhw h ARG 7 N 1.87 0.00 0.00 3.99 3.08 -1.94 -0.82 114.38 120.56 1bhw h ARG 7 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1bhw h ARG 7 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1bhw h ARG 7 CO 0.64 0.00 0.00 1.49 -1.07 0.00 0.00 179.97 181.03 1bhw h GLU 8 N 0.00 0.00 0.00 0.04 4.81 -1.96 -2.63 114.58 114.85 1bhw h GLU 8 Ca -0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1bhw h GLU 8 Cb 0.10 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1bhw h GLU 8 CO 0.00 0.00 -0.57 -0.44 -0.73 0.00 0.00 179.01 177.27 1bhw h ASP 9 N 0.00 0.00 -5.98 1.04 3.32 -1.55 -3.48 116.42 109.77 1bhw h ASP 9 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 1bhw h ASP 9 Cb 0.66 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.29 1bhw h ASP 9 CO 0.00 0.57 -0.84 0.29 -1.72 0.00 0.00 179.24 177.54 1bhw n LYS 10 N -3.44 -4.39 -2.91 3.56 5.02 -0.99 -4.61 118.16 110.40 1bhw n LYS 10 Ca 0.00 0.65 -0.41 0.00 -2.02 0.00 0.00 58.31 56.54 1bhw n LYS 10 Cb 0.68 -5.21 -0.04 0.00 -0.02 0.00 0.00 35.03 30.44 1bhw n LYS 10 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1bhw s PHE 11 N -3.58 3.54 0.13 2.13 0.08 -1.26 -0.32 117.98 118.70 1bhw s PHE 11 Ca 0.11 1.36 0.05 0.00 0.12 0.00 0.00 56.93 58.57 1bhw s PHE 11 Cb -0.03 -2.96 -0.04 0.00 -0.57 0.00 0.00 43.02 39.42 1bhw s PHE 11 CO 0.80 -0.06 -0.11 -1.54 -0.10 0.00 0.00 175.22 174.21 1bhw s SER 12 N 0.98 1.81 0.03 1.36 1.04 -0.63 -0.83 113.70 117.46 1bhw s SER 12 Ca 0.41 -0.92 0.03 0.00 0.48 0.00 0.00 55.95 55.95 1bhw s SER 12 Cb -0.18 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 1bhw s SER 12 CO 0.18 -0.26 -0.09 -0.36 0.98 0.00 0.00 173.24 173.69 1bhw s PHE 13 N -2.81 0.77 0.30 5.02 0.40 -1.11 -1.61 117.98 118.93 1bhw s PHE 13 Ca 0.12 -0.38 -0.21 0.00 -0.60 0.00 0.00 56.93 55.87 1bhw s PHE 13 Cb -0.01 -0.46 -0.09 0.00 0.51 0.00 0.00 43.02 42.97 1bhw s PHE 13 CO 0.01 -0.03 0.83 0.20 0.70 0.00 0.00 175.22 176.93 1bhw s GLY 14 N -1.18 2.60 0.39 4.36 0.00 -1.25 -1.58 107.32 110.66 1bhw s GLY 14 Ca -0.04 0.30 0.06 0.00 0.00 0.00 0.00 44.72 45.04 1bhw s GLY 14 CO 0.01 0.65 2.03 -2.00 0.00 0.00 0.00 173.10 173.78 1bhw h LEU 15 N 2.92 0.49 0.00 0.66 5.85 -1.46 -1.95 115.31 121.82 1bhw h LEU 15 Ca -0.48 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1bhw h LEU 15 Cb 1.19 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1bhw h LEU 15 CO 0.64 0.39 0.00 -2.67 -0.34 0.00 0.00 178.44 176.46 1bhw n TRP 16 N -4.44 0.00 0.00 1.25 2.14 -1.26 -2.13 117.44 113.00 1bhw n TRP 16 Ca 0.03 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.60 1bhw n TRP 16 Cb 0.09 -0.43 0.00 0.00 -0.81 0.00 0.00 31.31 30.16 1bhw n TRP 16 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1bhw n THR 17 N -1.43 0.00 0.28 -1.67 -2.24 -0.73 -2.73 114.28 105.75 1bhw n THR 17 Ca 0.07 0.28 0.17 0.00 -2.27 0.00 0.00 64.05 62.30 1bhw n THR 17 Cb 0.21 -0.86 0.89 0.00 -2.10 0.00 0.00 70.33 68.48 1bhw n THR 17 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1bhw h VAL 18 N 0.00 0.00 -0.05 2.28 -1.51 -1.71 -1.17 116.25 114.09 1bhw h VAL 18 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 1bhw h VAL 18 Cb 0.00 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.03 1bhw h VAL 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1bhw n GLY 19 N -0.95 0.52 3.67 5.19 0.00 -0.91 -4.91 105.19 107.80 1bhw n GLY 19 Ca -0.02 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1bhw n GLY 19 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bhw s TRP 20 N -1.96 1.89 -1.67 1.61 -0.00 -0.44 -4.59 118.94 113.78 1bhw s TRP 20 Ca 0.34 0.04 0.27 0.00 -0.00 0.00 0.00 56.10 56.74 1bhw s TRP 20 Cb 0.20 -4.02 1.46 0.00 -0.00 0.00 0.00 33.47 31.11 1bhw s TRP 20 CO 0.32 -4.35 1.93 1.04 -0.00 0.00 0.00 176.95 175.88 1bhw n GLN 21 N 6.85 0.58 -3.14 5.86 6.02 -1.26 -4.90 117.38 127.39 1bhw n GLN 21 Ca 0.18 0.02 -0.14 0.00 -0.01 0.00 0.00 57.00 57.05 1bhw n GLN 21 Cb 0.42 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.22 1bhw n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bhw n ALA 22 N -1.17 -0.77 -2.56 -1.58 0.00 -1.26 -1.41 120.51 111.77 1bhw n ALA 22 Ca 0.16 0.24 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 1bhw n ALA 22 Cb 0.16 -3.45 -0.06 0.00 0.00 0.00 0.00 19.45 16.10 1bhw n ALA 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1bhw s ARG 23 N -5.77 3.57 0.00 0.00 3.52 -1.26 -3.94 118.95 115.07 1bhw s ARG 23 Ca 0.34 0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.97 1bhw s ARG 23 Cb -0.15 -3.87 0.00 0.00 -1.56 0.00 0.00 34.95 29.37 1bhw s ARG 23 CO 0.43 -0.92 0.00 -0.40 -0.81 0.00 0.00 175.30 173.60 1bhw n ASP 24 N 6.38 0.40 0.27 -2.12 5.68 -0.80 -4.91 116.55 121.44 1bhw n ASP 24 Ca 0.01 -0.77 0.15 0.00 -0.50 0.00 0.00 54.79 53.68 1bhw n ASP 24 Cb 0.48 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.18 1bhw n ASP 24 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bhw h ALA 25 N 0.33 1.08 -0.12 2.12 0.00 -2.00 -3.12 119.26 117.54 1bhw h ALA 25 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1bhw h ALA 25 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1bhw h ALA 25 CO 0.00 0.11 0.00 1.19 0.00 0.00 0.00 179.25 180.55 1bhw n PHE 26 N -3.31 0.19 -3.74 0.00 3.01 -1.26 -5.08 117.46 107.26 1bhw n PHE 26 Ca -0.01 -0.56 -0.04 0.00 1.01 0.00 0.00 57.45 57.86 1bhw n PHE 26 Cb 0.29 -0.06 -0.01 0.00 -0.01 0.00 0.00 39.48 39.68 1bhw n PHE 26 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1bhw s GLY 27 N -1.19 -0.24 0.78 1.37 0.00 -1.18 -5.16 107.32 101.70 1bhw s GLY 27 Ca 0.12 0.16 -0.11 0.00 0.00 0.00 0.00 44.72 44.88 1bhw s GLY 27 CO 0.06 0.02 1.09 0.99 0.00 0.00 0.00 173.10 175.25 1bhw s ASP 28 N -2.92 4.64 0.59 1.64 1.01 -1.26 -1.91 116.67 118.47 1bhw s ASP 28 Ca 0.12 1.37 -0.20 0.00 0.71 0.00 0.00 52.55 54.55 1bhw s ASP 28 Cb -0.02 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.75 1bhw s ASP 28 CO 0.02 -1.88 1.31 0.00 0.21 0.00 0.00 175.17 174.82 1bhw s ALA 29 N -3.13 2.62 -0.45 5.23 0.00 -1.26 -4.36 121.76 120.42 1bhw s ALA 29 Ca 0.60 1.23 0.05 0.00 0.00 0.00 0.00 51.96 53.84 1bhw s ALA 29 Cb -0.14 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.44 1bhw s ALA 29 CO 0.54 -1.40 0.47 0.25 0.00 0.00 0.00 175.76 175.62 1bhw n THR 30 N -1.42 0.00 -4.16 0.00 -2.24 -0.50 -4.89 114.28 101.07 1bhw n THR 30 Ca 0.13 -0.46 -0.17 0.00 -2.27 0.00 0.00 64.05 61.28 1bhw n THR 30 Cb 0.47 1.06 -0.12 0.00 -2.10 0.00 0.00 70.33 69.65 1bhw n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1bhw s ARG 31 N -0.79 0.80 0.63 -0.78 0.52 -0.80 -4.96 118.95 113.56 1bhw s ARG 31 Ca 0.04 -0.99 -0.08 0.00 -0.52 0.00 0.00 55.73 54.18 1bhw s ARG 31 Cb 0.04 -0.69 0.00 0.00 0.52 0.00 0.00 34.95 34.82 1bhw s ARG 31 CO 0.11 0.14 0.97 0.95 0.02 0.00 0.00 175.30 177.49 1bhw s THR 32 N -1.60 3.75 0.48 0.02 -4.23 -1.26 -4.75 115.64 108.05 1bhw s THR 32 Ca -0.01 0.24 -0.23 0.00 -1.18 0.00 0.00 61.69 60.52 1bhw s THR 32 Cb -0.08 -3.52 -0.07 0.00 1.34 0.00 0.00 72.50 70.18 1bhw s THR 32 CO 0.02 -0.59 1.24 0.00 -0.54 0.00 0.00 174.62 174.74 1bhw s ALA 33 N -3.12 2.94 -0.19 3.99 0.00 -1.26 -4.86 121.76 119.26 1bhw s ALA 33 Ca 0.55 1.08 -0.12 0.00 0.00 0.00 0.00 51.96 53.47 1bhw s ALA 33 Cb -0.11 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 1bhw s ALA 33 CO 0.48 -0.90 0.21 -1.17 0.00 0.00 0.00 175.76 174.39 1bhw s LEU 34 N -3.15 4.21 0.08 0.00 2.96 -1.26 -5.06 118.68 116.47 1bhw s LEU 34 Ca 0.66 0.35 -0.31 0.00 -0.22 0.00 0.00 54.13 54.60 1bhw s LEU 34 Cb -0.33 -2.23 -0.07 0.00 0.50 0.00 0.00 46.19 44.06 1bhw s LEU 34 CO 0.40 0.12 1.33 -0.62 -1.32 0.00 0.00 176.35 176.26 1bhw s ASP 35 N 0.51 6.91 0.39 3.68 -1.08 -1.26 -4.92 116.67 120.89 1bhw s ASP 35 Ca 0.12 2.19 0.12 0.00 -0.52 0.00 0.00 52.55 54.45 1bhw s ASP 35 Cb -0.12 -2.58 0.91 0.00 -1.46 0.00 0.00 42.92 39.67 1bhw s ASP 35 CO 0.01 -0.60 1.90 -0.65 0.52 0.00 0.00 175.17 176.35 1bhw h PRO 36 N 6.96 0.56 -0.33 4.34 0.11 -1.96 0.11 132.00 141.79 1bhw h PRO 36 Ca -0.41 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 1bhw h PRO 36 Cb 1.21 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1bhw h PRO 36 CO 0.85 0.37 -0.32 0.28 -0.21 0.00 0.00 178.00 178.98 1bhw h VAL 37 N 0.58 1.29 -0.69 3.15 2.07 -1.93 -1.76 116.25 118.96 1bhw h VAL 37 Ca 0.40 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.37 1bhw h VAL 37 Cb 0.72 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1bhw h VAL 37 CO -0.15 0.49 0.20 -0.08 0.02 0.00 0.00 177.57 178.04 1bhw h GLU 38 N 0.58 1.06 -0.70 1.57 4.81 -1.70 -2.37 114.58 117.83 1bhw h GLU 38 Ca 0.05 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 58.98 1bhw h GLU 38 Cb 0.90 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 1bhw h GLU 38 CO 0.08 0.92 0.15 0.00 -0.73 0.00 0.00 179.01 179.42 1bhw h ALA 39 N 1.19 0.93 -0.21 2.92 0.00 -0.82 -1.49 119.26 121.78 1bhw h ALA 39 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bhw h ALA 39 Cb 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1bhw h ALA 39 CO -0.01 0.67 0.14 0.28 0.00 0.00 0.00 179.25 180.33 1bhw h VAL 40 N 1.07 1.06 -0.02 0.00 2.07 -0.94 -1.47 116.25 118.01 1bhw h VAL 40 Ca 0.22 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 1bhw h VAL 40 Cb 0.41 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1bhw h VAL 40 CO 0.01 0.05 0.01 0.45 0.02 0.00 0.00 177.57 178.11 1bhw h HIS 41 N 0.28 0.04 -0.60 1.57 -0.00 -1.37 -2.24 115.15 112.83 1bhw h HIS 41 Ca 0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1bhw h HIS 41 Cb -0.03 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.34 1bhw h HIS 41 CO -0.06 0.22 0.39 0.87 -0.00 0.00 0.00 177.93 179.35 1bhw h LYS 42 N -0.16 0.80 -0.47 2.45 1.79 -1.22 -2.13 116.57 117.64 1bhw h LYS 42 Ca 0.01 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 1bhw h LYS 42 Cb 0.20 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1bhw h LYS 42 CO -0.00 0.54 0.04 -0.07 -1.08 0.00 0.00 179.45 178.88 1bhw h LEU 43 N 0.82 0.78 -0.65 2.94 3.38 -1.29 -2.43 115.31 118.85 1bhw h LEU 43 Ca 0.22 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1bhw h LEU 43 Cb -0.07 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 1bhw h LEU 43 CO -0.05 0.87 0.38 0.00 0.09 0.00 0.00 178.44 179.74 1bhw h ALA 44 N 0.93 0.86 -0.18 1.53 0.00 -1.25 -1.61 119.26 119.55 1bhw h ALA 44 Ca 0.14 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1bhw h ALA 44 Cb 0.45 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1bhw h ALA 44 CO 0.02 0.10 -0.00 1.49 0.00 0.00 0.00 179.25 180.85 1bhw h GLU 45 N 0.73 0.26 -0.01 0.00 4.81 -1.18 -2.27 114.58 116.92 1bhw h GLU 45 Ca 0.28 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1bhw h GLU 45 Cb 0.10 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1bhw h GLU 45 CO -0.14 0.29 -0.11 0.44 -0.73 0.00 0.00 179.01 178.76 1bhw n ILE 46 N -4.38 0.00 0.00 2.32 -5.35 -0.80 -4.95 119.36 106.20 1bhw n ILE 46 Ca -0.00 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1bhw n ILE 46 Cb 0.18 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 1bhw n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bhw n GLY 47 N 1.26 1.14 3.78 3.28 0.00 -0.85 -4.83 105.19 108.97 1bhw n GLY 47 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1bhw n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhw s ALA 48 N -2.00 2.63 -0.19 4.61 0.00 -0.67 -4.66 121.76 121.47 1bhw s ALA 48 Ca 0.00 0.66 0.17 0.00 0.00 0.00 0.00 51.96 52.79 1bhw s ALA 48 Cb 0.00 -3.32 -0.24 0.00 0.00 0.00 0.00 23.12 19.55 1bhw s ALA 48 CO 0.00 -0.93 0.44 2.48 0.00 0.00 0.00 175.76 177.75 1bhw n TYR 49 N -1.77 0.00 -3.87 0.00 4.11 -0.01 -4.56 117.16 111.06 1bhw n TYR 49 Ca 0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.91 1bhw n TYR 49 Cb 0.52 -0.30 -0.05 0.00 -0.00 0.00 0.00 39.34 39.51 1bhw n TYR 49 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1bhw s GLY 50 N -3.62 0.23 0.06 -7.48 0.00 -1.22 -0.97 107.32 94.31 1bhw s GLY 50 Ca -0.03 -0.59 0.05 0.00 0.00 0.00 0.00 44.72 44.15 1bhw s GLY 50 CO 0.69 -0.55 -0.13 -1.50 0.00 0.00 0.00 173.10 171.61 1bhw s ILE 51 N -3.93 1.05 0.28 0.90 2.07 -0.34 -2.77 121.20 118.46 1bhw s ILE 51 Ca 0.14 -1.19 0.03 0.00 -1.41 0.00 0.00 60.65 58.23 1bhw s ILE 51 Cb 0.01 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.54 1bhw s ILE 51 CO -0.00 -0.17 0.04 0.42 -1.91 0.00 0.00 174.94 173.31 1bhw s THR 52 N -1.15 1.04 0.03 4.00 -4.23 -0.61 -4.02 115.64 110.70 1bhw s THR 52 Ca -0.02 -2.02 -0.28 0.00 -1.18 0.00 0.00 61.69 58.20 1bhw s THR 52 Cb -0.09 -2.59 0.09 0.00 1.34 0.00 0.00 72.50 71.25 1bhw s THR 52 CO 0.02 -0.13 0.87 0.72 -0.54 0.00 0.00 174.62 175.56 1bhw s PHE 53 N -3.41 -0.34 0.17 3.99 -0.71 -1.26 -0.99 117.98 115.44 1bhw s PHE 53 Ca 0.34 0.18 -0.07 0.00 -1.04 0.00 0.00 56.93 56.34 1bhw s PHE 53 Cb 0.07 0.55 -0.06 0.00 -1.21 0.00 0.00 43.02 42.37 1bhw s PHE 53 CO 0.13 -0.61 0.44 -1.01 -1.34 0.00 0.00 175.22 172.83 1bhw s HIS 54 N -3.20 3.46 0.19 3.49 3.76 -1.25 -1.74 115.29 119.99 1bhw s HIS 54 Ca 0.05 0.68 -0.19 0.00 -0.15 0.00 0.00 55.06 55.45 1bhw s HIS 54 Cb -0.01 -2.10 0.14 0.00 1.11 0.00 0.00 32.58 31.71 1bhw s HIS 54 CO -0.08 0.37 1.60 0.38 -0.85 0.00 0.00 174.74 176.16 1bhw h ASP 55 N 2.72 -0.97 0.40 1.40 2.03 -1.78 -1.08 116.42 119.15 1bhw h ASP 55 Ca -0.46 0.21 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 1bhw h ASP 55 Cb 1.17 0.50 0.00 0.00 -0.83 0.00 0.00 39.33 40.17 1bhw h ASP 55 CO 0.71 -0.28 0.00 0.47 -1.03 0.00 0.00 179.24 179.11 1bhw n ASP 56 N -5.43 0.00 0.08 4.15 8.00 -1.26 -1.72 116.55 120.37 1bhw n ASP 56 Ca 0.04 0.34 -0.22 0.00 0.71 0.00 0.00 54.79 55.67 1bhw n ASP 56 Cb 0.34 -0.42 -0.13 0.00 -0.02 0.00 0.00 41.12 40.89 1bhw n ASP 56 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1bhw h ASP 57 N 0.00 0.83 0.00 -2.24 3.32 -1.58 -3.39 116.42 113.36 1bhw h ASP 57 Ca 0.00 -0.83 -0.10 0.00 0.02 0.00 0.00 57.03 56.12 1bhw h ASP 57 Cb 0.20 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1bhw h ASP 57 CO 0.00 1.57 -0.59 0.25 -1.72 0.00 0.00 179.24 178.75 1bhw h LEU 58 N 0.19 0.00 -8.26 1.55 5.85 -1.52 -3.45 115.31 109.66 1bhw h LEU 58 Ca -0.18 -0.58 -0.68 0.00 0.84 0.00 0.00 57.88 57.29 1bhw h LEU 58 Cb 1.86 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 42.60 1bhw h LEU 58 CO 0.22 1.13 -0.67 -0.69 -0.34 0.00 0.00 178.44 178.10 1bhw s VAL 59 N -2.21 3.52 0.23 1.05 1.01 -0.70 -5.00 120.40 118.29 1bhw s VAL 59 Ca -0.21 -0.89 -0.31 0.00 0.00 0.00 0.00 61.98 60.57 1bhw s VAL 59 Cb 0.02 -2.84 -0.15 0.00 0.00 0.00 0.00 36.38 33.41 1bhw s VAL 59 CO 0.53 0.08 1.12 -2.65 0.00 0.00 0.00 175.10 174.18 1bhw n PRO 60 N 4.78 1.33 -1.64 2.72 -0.02 -1.26 -4.11 135.00 136.80 1bhw n PRO 60 Ca -0.15 0.47 -0.48 0.00 -2.02 0.00 0.00 63.50 61.32 1bhw n PRO 60 Cb 0.47 -1.93 -0.05 0.00 -0.02 0.00 0.00 33.50 31.97 1bhw n PRO 60 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1bhw n PHE 61 N 1.01 1.98 -1.02 6.00 -0.00 -1.26 -1.81 117.46 122.36 1bhw n PHE 61 Ca 0.12 0.41 -0.01 0.00 -0.00 0.00 0.00 57.45 57.98 1bhw n PHE 61 Cb 0.28 -2.46 -0.00 0.00 -0.00 0.00 0.00 39.48 37.30 1bhw n PHE 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1bhw n GLY 62 N 3.07 0.43 3.77 7.13 0.00 -1.26 -5.05 105.19 113.28 1bhw n GLY 62 Ca 0.18 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 1bhw n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bhw s SER 63 N -2.98 6.69 0.84 1.61 0.01 -0.75 -5.01 113.70 114.11 1bhw s SER 63 Ca 0.00 2.48 -0.12 0.00 1.31 0.00 0.00 55.95 59.62 1bhw s SER 63 Cb 0.00 -2.63 0.09 0.00 0.21 0.00 0.00 66.02 63.69 1bhw s SER 63 CO 0.00 -0.57 1.10 1.51 0.41 0.00 0.00 173.24 175.69 1bhw s ASP 64 N -0.84 4.07 0.51 2.44 -4.77 -1.26 -4.77 116.67 112.05 1bhw s ASP 64 Ca 0.52 1.35 0.15 0.00 -3.30 0.00 0.00 52.55 51.27 1bhw s ASP 64 Cb -0.35 -2.05 1.22 0.00 -1.09 0.00 0.00 42.92 40.65 1bhw s ASP 64 CO 0.45 -2.24 2.13 0.00 0.70 0.00 0.00 175.17 176.21 1bhw h ALA 65 N -1.28 1.96 -0.35 2.11 0.00 -1.99 -1.42 119.26 118.29 1bhw h ALA 65 Ca -0.48 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 1bhw h ALA 65 Cb 1.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1bhw h ALA 65 CO 0.58 0.04 -0.21 0.37 0.00 0.00 0.00 179.25 180.03 1bhw h GLN 66 N 0.04 0.76 -0.15 0.00 -0.00 -1.99 -1.83 115.11 111.93 1bhw h GLN 66 Ca 0.01 -0.35 -0.01 0.00 -0.00 0.00 0.00 58.65 58.30 1bhw h GLN 66 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.48 1bhw h GLN 66 CO -0.00 0.97 0.05 1.15 0.00 0.00 0.00 178.83 180.99 1bhw h THR 67 N 0.54 1.18 -0.62 2.39 2.02 -1.80 -2.46 112.91 114.16 1bhw h THR 67 Ca 0.07 -0.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 1bhw h THR 67 Cb 0.76 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 1bhw h THR 67 CO 0.06 0.17 0.28 -0.09 0.37 0.00 0.00 175.52 176.31 1bhw h ARG 68 N 0.06 0.90 -0.62 6.66 2.43 -1.28 -1.59 114.38 120.95 1bhw h ARG 68 Ca 0.05 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.00 1bhw h ARG 68 Cb 0.22 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1bhw h ARG 68 CO -0.00 0.74 0.08 -0.44 -1.51 0.00 0.00 179.97 178.84 1bhw h ASP 69 N 0.85 0.99 -0.19 -3.80 3.32 -1.32 -0.62 116.42 115.65 1bhw h ASP 69 Ca 0.21 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1bhw h ASP 69 Cb 0.15 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1bhw h ASP 69 CO -0.02 0.99 -0.09 1.23 -1.72 0.00 0.00 179.24 179.63 1bhw h GLY 70 N 1.03 0.43 0.97 2.75 0.00 -1.29 -1.49 103.07 105.47 1bhw h GLY 70 Ca 0.19 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1bhw h GLY 70 CO 0.01 0.35 0.12 -2.22 0.00 0.00 0.00 176.54 174.81 1bhw h ILE 71 N 0.09 1.08 -0.88 2.60 2.04 -1.12 -1.64 117.51 119.68 1bhw h ILE 71 Ca 0.04 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.74 1bhw h ILE 71 Cb 0.58 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1bhw h ILE 71 CO 0.03 0.08 0.57 0.40 0.00 0.00 0.00 178.15 179.22 1bhw h ILE 72 N 0.23 1.14 -0.43 -0.67 2.04 -1.01 -1.44 117.51 117.37 1bhw h ILE 72 Ca 0.07 -0.38 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 1bhw h ILE 72 Cb 0.02 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 1bhw h ILE 72 CO -0.01 0.20 -0.05 0.00 0.00 0.00 0.00 178.15 178.29 1bhw h ALA 73 N 1.36 0.59 -0.50 1.87 0.00 -0.91 -1.05 119.26 120.62 1bhw h ALA 73 Ca 0.35 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1bhw h ALA 73 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1bhw h ALA 73 CO -0.12 0.42 0.07 0.78 0.00 0.00 0.00 179.25 180.40 1bhw h GLY 74 N 0.62 0.84 0.97 0.00 0.00 -1.01 -2.30 103.07 102.18 1bhw h GLY 74 Ca 0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1bhw h GLY 74 CO 0.03 0.47 -0.06 -2.75 0.00 0.00 0.00 176.54 174.23 1bhw h PHE 75 N 0.74 -0.17 -0.42 5.60 3.57 -1.08 -2.25 116.94 122.93 1bhw h PHE 75 Ca 0.16 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1bhw h PHE 75 Cb 0.35 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1bhw h PHE 75 CO 0.02 -0.07 0.20 0.87 -2.23 0.00 0.00 178.31 177.10 1bhw h LYS 76 N -0.22 0.58 -0.44 1.11 1.57 -1.02 -0.98 116.57 117.17 1bhw h LYS 76 Ca -0.02 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1bhw h LYS 76 Cb 0.17 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1bhw h LYS 76 CO 0.03 0.46 0.06 -0.22 -0.57 0.00 0.00 179.45 179.21 1bhw h LYS 77 N 0.59 0.74 -0.34 3.15 3.64 -1.14 -0.71 116.57 122.50 1bhw h LYS 77 Ca 0.15 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1bhw h LYS 77 Cb 0.07 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1bhw h LYS 77 CO -0.02 0.77 0.22 0.00 -2.27 0.00 0.00 179.45 178.15 1bhw h ALA 78 N 0.94 0.44 -0.85 5.00 0.00 -1.04 -0.48 119.26 123.26 1bhw h ALA 78 Ca 0.13 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1bhw h ALA 78 Cb 0.40 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1bhw h ALA 78 CO 0.01 -0.09 0.56 -0.07 0.00 0.00 0.00 179.25 179.67 1bhw h LEU 79 N 0.46 0.98 0.23 0.00 3.38 -0.93 -1.10 115.31 118.33 1bhw h LEU 79 Ca 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1bhw h LEU 79 Cb -0.03 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1bhw h LEU 79 CO -0.03 0.72 -0.14 -0.78 0.09 0.00 0.00 178.44 178.30 1bhw h ASP 80 N 1.16 -0.35 -0.14 -0.43 1.82 -0.60 0.34 116.42 118.22 1bhw h ASP 80 Ca 0.31 0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.91 1bhw h ASP 80 Cb -0.13 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 39.97 1bhw h ASP 80 CO -0.07 -0.23 -0.12 -0.33 -1.61 0.00 0.00 179.24 176.89 1bhw h GLU 81 N -0.36 0.49 0.00 0.28 5.08 -0.95 -3.20 114.58 115.92 1bhw h GLU 81 Ca -0.02 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.03 1bhw h GLU 81 Cb 0.30 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1bhw h GLU 81 CO 0.02 0.60 -1.73 0.25 -1.00 0.00 0.00 179.01 177.16 1bhw n THR 82 N -4.21 0.98 -0.66 1.13 -2.24 -0.43 -4.99 114.28 103.86 1bhw n THR 82 Ca 0.01 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1bhw n THR 82 Cb 0.32 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1bhw n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bhw n GLY 83 N 1.44 0.74 3.80 3.38 0.00 0.12 -5.04 105.19 109.61 1bhw n GLY 83 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1bhw n GLY 83 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bhw s LEU 84 N 0.00 3.63 0.48 0.99 2.96 -1.15 -4.99 118.68 120.59 1bhw s LEU 84 Ca 0.00 1.90 0.03 0.00 -0.22 0.00 0.00 54.13 55.85 1bhw s LEU 84 Cb 0.00 -4.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.11 1bhw s LEU 84 CO 0.00 -1.08 0.03 0.27 -1.32 0.00 0.00 176.35 174.24 1bhw s ILE 85 N -2.22 1.49 -0.49 6.68 -4.36 -0.14 -4.72 121.20 117.43 1bhw s ILE 85 Ca 0.66 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 59.10 1bhw s ILE 85 Cb -0.17 -2.46 0.13 0.00 1.25 0.00 0.00 42.46 41.21 1bhw s ILE 85 CO 0.31 0.00 0.25 -0.69 0.24 0.00 0.00 174.94 175.05 1bhw s VAL 86 N -2.81 2.84 -0.23 8.37 1.01 -1.26 -1.19 120.40 127.14 1bhw s VAL 86 Ca 0.18 -2.91 0.22 0.00 0.00 0.00 0.00 61.98 59.47 1bhw s VAL 86 Cb 0.04 -2.96 0.26 0.00 0.00 0.00 0.00 36.38 33.72 1bhw s VAL 86 CO 0.09 -0.76 1.64 1.55 0.00 0.00 0.00 175.10 177.62 1bhw h PRO 87 N 7.00 0.00 -2.80 2.72 0.14 -1.90 -3.13 132.00 134.03 1bhw h PRO 87 Ca -0.06 0.00 -0.10 0.00 0.14 0.00 0.00 66.00 65.98 1bhw h PRO 87 Cb 0.95 0.00 -0.19 0.00 0.14 0.00 0.00 31.00 31.90 1bhw h PRO 87 CO 0.66 0.16 -0.14 1.41 0.14 0.00 0.00 178.00 180.23 1bhw s MET 88 N -3.26 0.81 0.16 0.86 -2.45 -1.26 -2.48 119.30 111.69 1bhw s MET 88 Ca 0.05 -0.13 0.03 0.00 -1.25 0.00 0.00 55.69 54.39 1bhw s MET 88 Cb 0.07 0.37 -0.05 0.00 1.25 0.00 0.00 34.83 36.47 1bhw s MET 88 CO 0.67 -0.24 -0.06 0.14 1.05 0.00 0.00 175.02 176.58 1bhw s VAL 89 N -1.55 0.97 0.20 10.11 -7.23 -0.78 -4.14 120.40 117.99 1bhw s VAL 89 Ca -0.11 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 57.93 1bhw s VAL 89 Cb -0.03 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.94 1bhw s VAL 89 CO 0.04 -0.63 0.37 0.28 -0.31 0.00 0.00 175.10 174.84 1bhw s THR 90 N -3.46 0.03 -0.04 5.32 -1.32 -0.71 -2.42 115.64 113.05 1bhw s THR 90 Ca 0.20 -1.38 0.07 0.00 -1.21 0.00 0.00 61.69 59.36 1bhw s THR 90 Cb 0.04 -2.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.02 1bhw s THR 90 CO 0.02 -0.15 -0.25 -0.89 -2.21 0.00 0.00 174.62 171.14 1bhw s THR 91 N -3.99 2.07 -0.49 5.08 2.01 -1.26 -2.12 115.64 116.93 1bhw s THR 91 Ca 0.20 -1.08 -0.27 0.00 0.31 0.00 0.00 61.69 60.85 1bhw s THR 91 Cb 0.02 -1.72 0.03 0.00 0.01 0.00 0.00 72.50 70.83 1bhw s THR 91 CO 0.04 0.58 1.04 0.21 -0.69 0.00 0.00 174.62 175.79 1bhw s ASN 92 N -0.40 6.52 -0.27 3.53 3.84 -1.26 -4.83 114.94 122.07 1bhw s ASN 92 Ca 0.04 0.19 0.08 0.00 0.21 0.00 0.00 52.86 53.38 1bhw s ASN 92 Cb -0.12 -2.50 0.45 0.00 -0.55 0.00 0.00 41.25 38.53 1bhw s ASN 92 CO 0.01 -1.20 1.24 0.18 -2.79 0.00 0.00 177.10 174.54 1bhw n LEU 93 N 7.61 4.09 0.00 3.21 4.77 -1.26 -4.73 117.00 130.69 1bhw n LEU 93 Ca 0.08 -4.37 0.00 0.00 -0.03 0.00 0.00 56.01 51.70 1bhw n LEU 93 Cb 0.49 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1bhw n LEU 93 CO 0.68 1.78 0.00 2.22 -1.33 0.00 0.00 177.39 180.74 1bhw n PHE 94 N -0.89 0.00 0.03 -1.77 1.16 -1.26 -4.41 117.46 110.32 1bhw n PHE 94 Ca 0.34 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.80 1bhw n PHE 94 Cb 0.86 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.64 1bhw n PHE 94 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1bhw h THR 95 N 0.00 1.07 -3.95 1.97 2.02 -1.94 -3.45 112.91 108.62 1bhw h THR 95 Ca 0.00 -1.19 -0.53 0.00 0.77 0.00 0.00 66.41 65.45 1bhw h THR 95 Cb 0.00 1.77 0.10 0.00 -1.74 0.00 0.00 68.15 68.27 1bhw h THR 95 CO 0.00 0.27 0.67 -2.28 0.37 0.00 0.00 175.52 174.55 1bhw s HIS 96 N -3.65 2.68 0.55 3.16 2.46 -1.26 -4.89 115.29 114.34 1bhw s HIS 96 Ca -0.14 1.32 0.33 0.00 0.47 0.00 0.00 55.06 57.04 1bhw s HIS 96 Cb 0.01 -3.82 1.49 0.00 -0.13 0.00 0.00 32.58 30.13 1bhw s HIS 96 CO 0.55 -2.51 1.85 -1.35 -2.47 0.00 0.00 174.74 170.81 1bhw h PRO 97 N 2.68 0.00 -0.02 2.88 0.11 -2.03 -0.12 132.00 135.50 1bhw h PRO 97 Ca -0.50 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.61 1bhw h PRO 97 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1bhw h PRO 97 CO 0.63 0.00 0.02 -0.24 -0.21 0.00 0.00 178.00 178.20 1bhw h VAL 98 N 0.00 0.78 -0.45 3.15 3.04 -1.96 -1.64 116.25 119.17 1bhw h VAL 98 Ca 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.14 1bhw h VAL 98 Cb 1.87 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 32.14 1bhw h VAL 98 CO -0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.05 1bhw n PHE 99 N -4.22 0.85 -0.17 3.17 3.72 -0.06 -4.55 117.46 116.20 1bhw n PHE 99 Ca -0.02 -0.36 0.25 0.00 -0.05 0.00 0.00 57.45 57.26 1bhw n PHE 99 Cb 0.11 -0.10 0.66 0.00 -0.94 0.00 0.00 39.48 39.21 1bhw n PHE 99 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1bhw h LYS 100 N 2.76 0.11 -0.42 -1.08 2.10 -1.43 0.32 116.57 118.93 1bhw h LYS 100 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1bhw h LYS 100 Cb 0.88 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 1bhw h LYS 100 CO 0.09 0.07 0.00 -3.47 -2.00 0.00 0.00 179.45 174.14 1bhw n ASP 101 N -4.35 3.54 0.00 7.07 2.03 -1.26 -5.00 116.55 118.57 1bhw n ASP 101 Ca 0.18 -2.28 0.00 0.00 0.52 0.00 0.00 54.79 53.21 1bhw n ASP 101 Cb 0.84 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1bhw n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bhw n GLY 102 N 0.53 0.96 0.00 0.27 0.00 0.10 -3.74 105.19 103.31 1bhw n GLY 102 Ca 0.17 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1bhw n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bhw n GLY 103 N -0.26 -0.19 0.28 -0.02 0.00 -1.26 -4.17 105.19 99.57 1bhw n GLY 103 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1bhw n GLY 103 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1bhw h PHE 104 N 0.00 0.00 -0.07 1.61 0.04 -1.87 -3.12 116.94 113.53 1bhw h PHE 104 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1bhw h PHE 104 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 1bhw h PHE 104 CO 0.00 0.07 -0.03 0.25 -0.60 0.00 0.00 178.31 178.00 1bhw n THR 105 N -3.67 2.02 -1.71 -1.55 -2.24 -1.26 -4.46 114.28 101.42 1bhw n THR 105 Ca -0.02 -2.26 -0.37 0.00 -2.27 0.00 0.00 64.05 59.12 1bhw n THR 105 Cb 0.18 -0.25 0.06 0.00 -2.10 0.00 0.00 70.33 68.22 1bhw n THR 105 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1bhw n SER 106 N -1.21 1.90 0.19 3.42 2.88 -1.18 -4.84 113.62 114.78 1bhw n SER 106 Ca 0.18 0.85 0.03 0.00 -1.33 0.00 0.00 58.87 58.60 1bhw n SER 106 Cb 0.71 -1.52 0.38 0.00 -0.75 0.00 0.00 64.21 63.03 1bhw n SER 106 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1bhw h ASN 107 N 0.67 0.00 -3.39 -3.46 4.21 -1.93 -3.42 115.58 108.26 1bhw h ASN 107 Ca -0.50 -0.00 -0.57 0.00 1.21 0.00 0.00 56.30 56.44 1bhw h ASN 107 Cb 1.34 -0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 38.48 1bhw h ASN 107 CO 0.53 0.34 0.92 -0.62 -1.29 0.00 0.00 177.43 177.31 1bhw s ASP 108 N -6.95 6.73 0.28 5.81 -1.08 -1.26 -4.95 116.67 115.25 1bhw s ASP 108 Ca -0.03 0.89 -0.00 0.00 -0.52 0.00 0.00 52.55 52.89 1bhw s ASP 108 Cb 0.15 -2.54 0.51 0.00 -1.46 0.00 0.00 42.92 39.57 1bhw s ASP 108 CO 0.72 -1.09 1.85 -0.09 0.52 0.00 0.00 175.17 177.08 1bhw h ARG 109 N 8.94 1.00 -0.07 4.34 2.43 -2.00 -1.63 114.38 127.40 1bhw h ARG 109 Ca -0.23 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 58.79 1bhw h ARG 109 Cb 1.07 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1bhw h ARG 109 CO 1.07 0.66 -0.36 0.66 -1.51 0.00 0.00 179.97 180.49 1bhw h SER 110 N 1.03 0.14 -0.40 -3.80 4.64 -1.96 -1.90 113.55 111.30 1bhw h SER 110 Ca 0.48 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.62 1bhw h SER 110 Cb 0.40 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1bhw h SER 110 CO -0.24 0.50 -0.21 0.58 -0.87 0.00 0.00 176.83 176.59 1bhw h VAL 111 N 0.12 1.27 -0.80 0.95 2.07 -1.66 -2.08 116.25 116.12 1bhw h VAL 111 Ca 0.01 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 1bhw h VAL 111 Cb 0.71 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1bhw h VAL 111 CO 0.05 0.46 0.44 0.03 0.02 0.00 0.00 177.57 178.58 1bhw h ARG 112 N 0.78 1.11 -0.39 1.57 3.08 -1.18 -0.75 114.38 118.60 1bhw h ARG 112 Ca 0.11 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1bhw h ARG 112 Cb 0.76 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1bhw h ARG 112 CO 0.06 0.82 -0.03 0.00 -1.07 0.00 0.00 179.97 179.75 1bhw h ARG 113 N 1.11 0.71 -0.45 0.04 3.08 -1.16 -2.89 114.38 114.82 1bhw h ARG 113 Ca 0.28 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 1bhw h ARG 113 Cb 0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1bhw h ARG 113 CO -0.05 0.82 0.06 -0.92 -1.07 0.00 0.00 179.97 178.81 1bhw h TYR 114 N 0.53 0.73 -0.46 3.04 3.20 -1.11 -2.89 116.97 120.02 1bhw h TYR 114 Ca 0.11 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1bhw h TYR 114 Cb 0.52 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1bhw h TYR 114 CO 0.04 0.66 0.24 0.00 -1.64 0.00 0.00 178.16 177.46 1bhw h ALA 115 N 1.39 0.58 -0.19 1.82 0.00 -1.00 -1.55 119.26 120.31 1bhw h ALA 115 Ca 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1bhw h ALA 115 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1bhw h ALA 115 CO 0.01 0.12 0.05 0.82 0.00 0.00 0.00 179.25 180.25 1bhw h ILE 116 N 0.60 1.20 -0.64 0.00 2.04 -1.43 -2.47 117.51 116.80 1bhw h ILE 116 Ca 0.16 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.40 1bhw h ILE 116 Cb 0.08 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1bhw h ILE 116 CO -0.02 0.20 0.42 0.03 0.00 0.00 0.00 178.15 178.78 1bhw h ARG 117 N 0.13 0.80 -0.73 2.37 2.47 -1.31 -0.33 114.38 117.78 1bhw h ARG 117 Ca 0.06 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 1bhw h ARG 117 Cb 0.25 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 1bhw h ARG 117 CO -0.00 0.53 0.25 -0.22 0.56 0.00 0.00 179.97 181.10 1bhw h LYS 118 N 0.83 1.11 -0.12 0.04 3.64 -1.04 -2.28 116.57 118.75 1bhw h LYS 118 Ca 0.24 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1bhw h LYS 118 Cb -0.03 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1bhw h LYS 118 CO -0.06 0.93 -0.05 0.28 -2.27 0.00 0.00 179.45 178.29 1bhw h VAL 119 N 1.06 1.31 -0.53 2.00 2.07 -0.96 -2.69 116.25 118.50 1bhw h VAL 119 Ca 0.24 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.77 1bhw h VAL 119 Cb 0.27 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 1bhw h VAL 119 CO -0.01 0.30 0.25 -0.07 0.02 0.00 0.00 177.57 178.06 1bhw h LEU 120 N -0.10 0.34 -1.34 2.57 3.38 -0.95 -1.06 115.31 118.14 1bhw h LEU 120 Ca 0.03 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1bhw h LEU 120 Cb 0.49 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1bhw h LEU 120 CO 0.02 0.23 0.45 -0.09 0.09 0.00 0.00 178.44 179.13 1bhw h ARG 121 N 0.48 0.89 0.00 1.13 2.43 -1.42 -2.33 114.38 115.57 1bhw h ARG 121 Ca 0.24 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.22 1bhw h ARG 121 Cb 0.19 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1bhw h ARG 121 CO -0.19 0.59 -0.68 0.37 -1.51 0.00 0.00 179.97 178.55 1bhw h GLN 122 N 0.91 0.00 -0.56 0.20 5.75 -0.89 -3.01 115.11 117.52 1bhw h GLN 122 Ca 0.25 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.64 1bhw h GLN 122 Cb -0.11 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 1bhw h GLN 122 CO -0.05 0.68 -0.09 0.52 -2.65 0.00 0.00 178.83 177.24 1bhw h MET 123 N 0.00 1.04 0.21 1.69 2.86 -0.75 0.38 114.93 120.36 1bhw h MET 123 Ca -0.01 -0.38 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 1bhw h MET 123 Cb 1.28 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1bhw h MET 123 CO 0.09 1.07 -0.10 -0.44 1.06 0.00 0.00 176.91 178.59 1bhw h ASP 124 N 0.93 -0.24 -0.76 1.22 3.32 -1.39 0.11 116.42 119.60 1bhw h ASP 124 Ca 0.15 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1bhw h ASP 124 Cb 0.66 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 1bhw h ASP 124 CO 0.05 -0.07 0.38 0.25 -1.72 0.00 0.00 179.24 178.12 1bhw h LEU 125 N -0.39 0.99 -0.08 1.55 5.85 -1.42 -1.90 115.31 119.91 1bhw h LEU 125 Ca -0.03 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1bhw h LEU 125 Cb 0.30 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1bhw h LEU 125 CO 0.05 0.84 0.05 1.23 -0.34 0.00 0.00 178.44 180.26 1bhw h GLY 126 N 1.07 0.12 1.16 3.75 0.00 0.05 -2.14 103.07 107.08 1bhw h GLY 126 Ca 0.26 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.58 1bhw h GLY 126 CO -0.03 0.05 0.47 0.00 0.00 0.00 0.00 176.54 177.02 1bhw h ALA 127 N 0.97 1.62 0.00 3.60 0.00 -0.53 -0.94 119.26 123.98 1bhw h ALA 127 Ca 0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1bhw h ALA 127 Cb 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1bhw h ALA 127 CO -0.01 0.30 -0.46 1.49 0.00 0.00 0.00 179.25 180.57 1bhw h GLU 128 N 0.83 0.00 -0.01 0.00 4.81 -1.08 -2.83 114.58 116.31 1bhw h GLU 128 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1bhw h GLU 128 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1bhw h GLU 128 CO -0.08 0.46 -0.25 1.28 -0.73 0.00 0.00 179.01 179.69 1bhw n LEU 129 N -3.49 1.11 0.00 1.64 4.77 -0.64 -4.96 117.00 115.43 1bhw n LEU 129 Ca 0.00 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1bhw n LEU 129 Cb 0.59 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1bhw n LEU 129 CO 0.39 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1bhw n GLY 130 N 1.33 0.71 3.77 -0.72 0.00 -0.47 -4.54 105.19 105.28 1bhw n GLY 130 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1bhw n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhw s ALA 131 N -2.04 3.43 -0.06 4.61 0.00 -0.54 -4.87 121.76 122.29 1bhw s ALA 131 Ca 0.00 1.43 0.19 0.00 0.00 0.00 0.00 51.96 53.58 1bhw s ALA 131 Cb 0.00 -3.56 -0.29 0.00 0.00 0.00 0.00 23.12 19.27 1bhw s ALA 131 CO 0.00 -0.97 0.43 1.63 0.00 0.00 0.00 175.76 176.85 1bhw n LYS 132 N 0.32 0.58 -4.85 0.00 5.02 -1.03 -4.62 118.16 113.58 1bhw n LYS 132 Ca 0.02 -0.16 -0.25 0.00 -2.02 0.00 0.00 58.31 55.90 1bhw n LYS 132 Cb 0.41 -1.44 -0.15 0.00 -0.02 0.00 0.00 35.03 33.83 1bhw n LYS 132 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1bhw s THR 133 N -3.27 1.39 -0.23 -0.18 2.01 -1.13 -1.46 115.64 112.78 1bhw s THR 133 Ca -0.06 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 1bhw s THR 133 Cb 0.12 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1bhw s THR 133 CO 0.78 0.39 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.83 1bhw s LEU 134 N -0.41 3.01 -0.01 4.42 2.96 -0.36 -1.86 118.68 126.43 1bhw s LEU 134 Ca 0.07 -0.56 -0.15 0.00 -0.22 0.00 0.00 54.13 53.27 1bhw s LEU 134 Cb -0.07 -1.72 -0.06 0.00 0.50 0.00 0.00 46.19 44.85 1bhw s LEU 134 CO -0.01 -0.06 0.41 -0.69 -1.32 0.00 0.00 176.35 174.68 1bhw s VAL 135 N 1.43 5.05 -0.26 1.68 1.01 -1.01 -1.20 120.40 127.10 1bhw s VAL 135 Ca 0.04 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.88 1bhw s VAL 135 Cb -0.15 -3.71 0.06 0.00 0.00 0.00 0.00 36.38 32.58 1bhw s VAL 135 CO -0.04 0.56 -0.07 -0.76 0.00 0.00 0.00 175.10 174.79 1bhw s LEU 136 N -0.94 3.26 -0.41 3.92 1.43 0.45 -4.40 118.68 122.00 1bhw s LEU 136 Ca 0.24 -1.40 -0.05 0.00 -1.03 0.00 0.00 54.13 51.88 1bhw s LEU 136 Cb -0.16 -1.42 0.10 0.00 0.03 0.00 0.00 46.19 44.73 1bhw s LEU 136 CO 0.13 -0.23 0.21 0.86 0.23 0.00 0.00 176.35 177.56 1bhw s TRP 137 N 1.19 3.46 -1.53 0.29 -0.00 -1.26 -1.30 118.94 119.78 1bhw s TRP 137 Ca -0.06 -2.04 -0.12 0.00 -0.00 0.00 0.00 56.10 53.88 1bhw s TRP 137 Cb -0.19 -3.06 -0.02 0.00 -0.00 0.00 0.00 33.47 30.19 1bhw s TRP 137 CO -0.06 -0.92 2.58 0.41 -0.00 0.00 0.00 176.95 178.96 1bhw n GLY 138 N 4.73 4.32 0.24 5.86 0.00 -1.26 -4.76 105.19 114.33 1bhw n GLY 138 Ca -0.06 -1.54 0.07 0.00 0.00 0.00 0.00 46.02 44.49 1bhw n GLY 138 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bhw h GLY 139 N 8.59 0.00 -1.95 -0.02 0.00 -1.92 -2.71 103.07 105.06 1bhw h GLY 139 Ca 0.72 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.05 1bhw h GLY 139 CO 1.84 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.92 1bhw n ARG 140 N -4.30 2.34 -2.70 4.80 5.12 -1.26 -3.92 116.66 116.74 1bhw n ARG 140 Ca -0.03 -1.95 -0.43 0.00 -1.93 0.00 0.00 57.85 53.52 1bhw n ARG 140 Cb 0.18 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 29.99 1bhw n ARG 140 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1bhw s GLU 141 N -1.97 3.64 0.00 5.56 0.41 -1.02 -2.36 118.70 122.95 1bhw s GLU 141 Ca 0.28 0.38 0.00 0.00 -0.41 0.00 0.00 54.97 55.22 1bhw s GLU 141 Cb 0.20 -3.92 0.00 0.00 -1.78 0.00 0.00 34.13 28.63 1bhw s GLU 141 CO 0.30 -1.31 0.00 0.41 -0.49 0.00 0.00 175.26 174.17 1bhw n GLY 142 N 4.89 -0.51 3.61 -1.39 0.00 -1.26 -1.52 105.19 109.02 1bhw n GLY 142 Ca 0.09 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 1bhw n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhw s ALA 143 N -1.00 -1.78 -0.03 4.61 0.00 -0.64 -4.89 121.76 118.03 1bhw s ALA 143 Ca 0.00 0.65 0.12 0.00 0.00 0.00 0.00 51.96 52.72 1bhw s ALA 143 Cb 0.00 0.50 -0.18 0.00 0.00 0.00 0.00 23.12 23.43 1bhw s ALA 143 CO 0.00 -0.85 0.23 0.39 0.00 0.00 0.00 175.76 175.53 1bhw n GLU 144 N -0.34 0.70 -4.55 0.00 4.71 -1.26 -1.58 120.64 118.31 1bhw n GLU 144 Ca -0.07 -0.09 -0.22 0.00 -0.01 0.00 0.00 57.16 56.76 1bhw n GLU 144 Cb 0.61 -1.29 -0.15 0.00 -1.01 0.00 0.00 31.44 29.60 1bhw n GLU 144 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1bhw s TYR 145 N -2.75 1.18 0.31 -0.32 2.02 -1.26 -4.90 117.35 111.64 1bhw s TYR 145 Ca -0.05 -0.28 -0.00 0.00 -0.37 0.00 0.00 57.07 56.37 1bhw s TYR 145 Cb 0.07 -0.80 0.50 0.00 -0.40 0.00 0.00 41.96 41.33 1bhw s TYR 145 CO 0.50 -0.08 1.95 -0.44 -1.57 0.00 0.00 175.55 175.91 1bhw h ASP 146 N 6.16 0.84 0.72 2.29 3.32 -1.94 -2.85 116.42 124.96 1bhw h ASP 146 Ca -0.33 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1bhw h ASP 146 Cb 1.17 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1bhw h ASP 146 CO 0.49 0.65 0.00 -1.54 -1.72 0.00 0.00 179.24 177.12 1bhw n SER 147 N -4.39 0.00 0.12 6.45 3.41 -1.26 -3.69 113.62 114.26 1bhw n SER 147 Ca 0.07 0.08 0.13 0.00 -0.26 0.00 0.00 58.87 58.89 1bhw n SER 147 Cb 0.07 -0.36 0.33 0.00 -0.26 0.00 0.00 64.21 64.00 1bhw n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bhw h ALA 148 N 3.28 0.95 -3.32 7.33 0.00 -1.94 -3.45 119.26 122.12 1bhw h ALA 148 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 1bhw h ALA 148 Cb 0.36 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.76 1bhw h ALA 148 CO 0.00 0.00 -0.74 0.21 0.00 0.00 0.00 179.25 178.72 1bhw s LYS 149 N -3.13 -0.02 -0.63 0.00 2.47 -1.24 -5.01 119.74 112.18 1bhw s LYS 149 Ca 0.09 0.34 -0.27 0.00 -1.56 0.00 0.00 55.97 54.58 1bhw s LYS 149 Cb 0.11 -0.53 0.03 0.00 -1.46 0.00 0.00 37.83 35.98 1bhw s LYS 149 CO 0.63 -0.32 1.16 0.34 0.16 0.00 0.00 175.35 177.32 1bhw s ASP 150 N 2.08 6.32 0.25 1.43 -1.08 -1.26 -4.90 116.67 119.52 1bhw s ASP 150 Ca 0.04 -0.21 -0.05 0.00 -0.52 0.00 0.00 52.55 51.81 1bhw s ASP 150 Cb -0.12 -2.53 0.29 0.00 -1.46 0.00 0.00 42.92 39.10 1bhw s ASP 150 CO -0.03 -1.55 1.87 0.58 0.52 0.00 0.00 175.17 176.56 1bhw h VAL 151 N 6.08 1.24 -0.04 1.11 2.07 -1.98 -0.02 116.25 124.71 1bhw h VAL 151 Ca -0.26 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1bhw h VAL 151 Cb 1.06 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1bhw h VAL 151 CO 1.20 0.28 0.02 -1.28 0.02 0.00 0.00 177.57 177.81 1bhw h SER 152 N 1.15 0.06 -0.70 0.57 0.87 -1.99 0.59 113.55 114.10 1bhw h SER 152 Ca 0.29 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1bhw h SER 152 Cb 0.06 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 1bhw h SER 152 CO -0.04 0.19 0.33 0.00 -0.53 0.00 0.00 176.83 176.78 1bhw h ALA 153 N 0.87 0.90 -0.57 6.23 0.00 -1.93 -1.65 119.26 123.11 1bhw h ALA 153 Ca 0.01 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1bhw h ALA 153 Cb 0.15 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1bhw h ALA 153 CO -0.00 0.47 0.34 0.00 0.00 0.00 0.00 179.25 180.06 1bhw h ALA 154 N 1.16 0.74 -0.20 0.00 0.00 -0.55 -0.84 119.26 119.57 1bhw h ALA 154 Ca 0.24 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1bhw h ALA 154 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1bhw h ALA 154 CO -0.03 0.06 -0.27 -0.07 0.00 0.00 0.00 179.25 178.94 1bhw h LEU 155 N 0.67 0.38 -0.38 0.00 3.38 0.61 -0.71 115.31 119.27 1bhw h LEU 155 Ca 0.23 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1bhw h LEU 155 Cb 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1bhw h LEU 155 CO -0.11 0.65 0.05 0.44 0.09 0.00 0.00 178.44 179.56 1bhw h ASP 156 N 0.34 0.62 -0.18 -0.43 3.32 -0.80 -1.61 116.42 117.68 1bhw h ASP 156 Ca 0.05 -0.27 -0.13 0.00 0.02 0.00 0.00 57.03 56.70 1bhw h ASP 156 Cb 0.66 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1bhw h ASP 156 CO 0.05 0.73 -0.33 0.03 -1.72 0.00 0.00 179.24 178.00 1bhw h ARG 157 N 0.48 0.69 0.03 3.56 2.47 -0.96 -1.41 114.38 119.24 1bhw h ARG 157 Ca 0.11 -0.32 -0.00 0.00 -1.26 0.00 0.00 59.98 58.51 1bhw h ARG 157 Cb 0.39 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1bhw h ARG 157 CO 0.01 0.92 -0.01 -0.92 0.56 0.00 0.00 179.97 180.53 1bhw h TYR 158 N 0.58 -0.04 -0.44 3.04 5.03 -1.05 -1.38 116.97 122.72 1bhw h TYR 158 Ca 0.06 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 1bhw h TYR 158 Cb 0.84 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 39.12 1bhw h TYR 158 CO 0.04 0.10 0.24 -0.09 -1.32 0.00 0.00 178.16 177.14 1bhw h ARG 159 N -0.17 0.61 -0.62 1.82 2.43 -1.26 -1.60 114.38 115.59 1bhw h ARG 159 Ca -0.00 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1bhw h ARG 159 Cb 0.16 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 1bhw h ARG 159 CO 0.01 0.49 0.34 1.49 -1.51 0.00 0.00 179.97 180.78 1bhw h GLU 160 N 0.58 0.61 -0.30 0.20 4.81 -1.13 -0.57 114.58 118.76 1bhw h GLU 160 Ca 0.16 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1bhw h GLU 160 Cb 0.05 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1bhw h GLU 160 CO -0.03 0.40 -0.16 0.00 -0.73 0.00 0.00 179.01 178.49 1bhw h ALA 161 N 1.33 0.43 -0.58 2.92 0.00 -0.98 -3.14 119.26 119.25 1bhw h ALA 161 Ca 0.28 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1bhw h ALA 161 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1bhw h ALA 161 CO -0.18 0.34 0.03 -0.07 0.00 0.00 0.00 179.25 179.37 1bhw h LEU 162 N 0.40 0.97 -1.18 0.00 3.38 -0.95 -2.49 115.31 115.44 1bhw h LEU 162 Ca 0.07 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1bhw h LEU 162 Cb 0.69 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1bhw h LEU 162 CO 0.05 1.02 0.56 0.78 0.09 0.00 0.00 178.44 180.94 1bhw h ASN 163 N 0.89 0.94 -0.32 -0.43 2.35 -1.18 -1.92 115.58 115.91 1bhw h ASN 163 Ca 0.17 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 1bhw h ASN 163 Cb 0.51 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1bhw h ASN 163 CO 0.02 0.66 -0.05 0.25 -1.65 0.00 0.00 177.43 176.66 1bhw h LEU 164 N 1.10 0.60 -0.61 1.61 6.46 -1.44 -2.44 115.31 120.59 1bhw h LEU 164 Ca 0.32 -0.35 0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1bhw h LEU 164 Cb -0.05 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 39.68 1bhw h LEU 164 CO -0.08 0.81 0.40 -0.07 -0.62 0.00 0.00 178.44 178.88 1bhw h LEU 165 N 0.39 0.69 -0.56 2.25 3.38 -1.09 -1.36 115.31 119.01 1bhw h LEU 165 Ca 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1bhw h LEU 165 Cb 0.53 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1bhw h LEU 165 CO 0.03 0.49 0.34 0.00 0.09 0.00 0.00 178.44 179.39 1bhw h ALA 166 N 1.23 0.71 0.21 1.53 0.00 -1.31 -2.13 119.26 119.50 1bhw h ALA 166 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bhw h ALA 166 Cb -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1bhw h ALA 166 CO -0.06 0.19 -0.21 0.37 0.00 0.00 0.00 179.25 179.53 1bhw h GLN 167 N 0.75 -0.44 -0.01 0.00 5.75 -1.06 -0.17 115.11 119.93 1bhw h GLN 167 Ca 0.20 0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.75 1bhw h GLN 167 Cb -0.03 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1bhw h GLN 167 CO -0.04 -0.29 -0.08 -0.92 -2.65 0.00 0.00 178.83 174.85 1bhw h TYR 168 N -0.46 -0.20 0.05 3.99 3.20 -1.20 0.57 116.97 122.92 1bhw h TYR 168 Ca 0.00 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.90 1bhw h TYR 168 Cb 0.43 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 1bhw h TYR 168 CO -0.16 -0.12 -0.19 1.03 -1.64 0.00 0.00 178.16 177.07 1bhw h SER 169 N -0.14 -0.56 -0.64 -2.11 0.87 -1.22 0.35 113.55 110.11 1bhw h SER 169 Ca 0.03 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1bhw h SER 169 Cb 0.18 0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 1bhw h SER 169 CO -0.09 -0.27 0.40 -0.33 -0.53 0.00 0.00 176.83 176.01 1bhw h GLU 170 N -0.34 0.87 -0.60 2.24 4.39 -0.88 -0.31 114.58 119.94 1bhw h GLU 170 Ca 0.04 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 1bhw h GLU 170 Cb 0.39 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1bhw h GLU 170 CO -0.15 0.61 0.10 -0.44 -1.16 0.00 0.00 179.01 177.97 1bhw h ASP 171 N 0.87 0.95 0.51 1.42 5.19 -0.43 -2.54 116.42 122.40 1bhw h ASP 171 Ca 0.23 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1bhw h ASP 171 Cb -0.04 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.22 1bhw h ASP 171 CO -0.04 0.97 0.00 0.54 -3.12 0.00 0.00 179.24 177.58 1bhw n ARG 172 N -4.30 0.47 -1.89 3.56 5.12 0.12 -4.91 116.66 114.83 1bhw n ARG 172 Ca 0.03 0.01 -0.12 0.00 -1.93 0.00 0.00 57.85 55.84 1bhw n ARG 172 Cb 0.28 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.05 1bhw n ARG 172 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bhw n GLY 173 N 1.21 0.43 0.25 -0.13 0.00 -0.27 -4.92 105.19 101.75 1bhw n GLY 173 Ca 0.15 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.87 1bhw n GLY 173 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1bhw h TYR 174 N 0.00 0.00 -2.09 1.61 0.05 -1.43 -3.47 116.97 111.64 1bhw h TYR 174 Ca -0.27 0.00 -0.41 0.00 0.05 0.00 0.00 58.73 58.10 1bhw h TYR 174 Cb 1.04 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.70 1bhw h TYR 174 CO 0.32 0.15 -0.46 0.41 -1.05 0.00 0.00 178.16 177.53 1bhw n GLY 175 N -0.31 0.56 3.80 3.88 0.00 -1.26 -4.98 105.19 106.88 1bhw n GLY 175 Ca -0.01 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1bhw n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bhw s LEU 176 N -5.35 3.55 0.04 0.99 1.43 -1.26 -4.94 118.68 113.15 1bhw s LEU 176 Ca 0.00 1.83 0.08 0.00 -1.03 0.00 0.00 54.13 55.01 1bhw s LEU 176 Cb 0.00 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 1bhw s LEU 176 CO 0.00 -1.09 -0.21 -0.13 0.23 0.00 0.00 176.35 175.15 1bhw s ARG 177 N -3.95 1.96 -0.15 1.70 0.52 -0.53 -5.01 118.95 113.50 1bhw s ARG 177 Ca 0.64 -1.03 -0.03 0.00 -0.52 0.00 0.00 55.73 54.78 1bhw s ARG 177 Cb -0.16 -2.11 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 1bhw s ARG 177 CO 0.34 0.53 -0.03 -0.06 0.02 0.00 0.00 175.30 176.10 1bhw s PHE 178 N -0.88 3.04 -0.19 -0.53 0.08 -0.17 -1.22 117.98 118.11 1bhw s PHE 178 Ca 0.14 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 56.97 1bhw s PHE 178 Cb -0.10 -1.94 0.04 0.00 -0.57 0.00 0.00 43.02 40.45 1bhw s PHE 178 CO 0.04 0.03 -0.10 0.00 -0.10 0.00 0.00 175.22 175.09 1bhw s ALA 179 N 0.20 1.91 0.09 5.36 0.00 -0.34 -0.91 121.76 128.07 1bhw s ALA 179 Ca -0.02 -1.11 -0.28 0.00 0.00 0.00 0.00 51.96 50.55 1bhw s ALA 179 Cb -0.14 -1.23 -0.06 0.00 0.00 0.00 0.00 23.12 21.70 1bhw s ALA 179 CO 0.03 -0.76 0.88 0.42 0.00 0.00 0.00 175.76 176.32 1bhw s ILE 180 N 1.44 4.58 -0.33 0.00 -1.09 -0.60 -0.41 121.20 124.79 1bhw s ILE 180 Ca -0.00 1.89 -0.08 0.00 -2.23 0.00 0.00 60.65 60.23 1bhw s ILE 180 Cb -0.16 -4.24 0.02 0.00 -1.58 0.00 0.00 42.46 36.51 1bhw s ILE 180 CO -0.08 0.35 0.13 -0.70 -1.23 0.00 0.00 174.94 173.40 1bhw s GLU 181 N -0.08 2.91 0.45 2.79 2.12 -0.42 -0.33 118.70 126.14 1bhw s GLU 181 Ca 0.43 -0.99 -0.21 0.00 0.36 0.00 0.00 54.97 54.56 1bhw s GLU 181 Cb -0.22 -3.51 -0.09 0.00 0.26 0.00 0.00 34.13 30.56 1bhw s GLU 181 CO 0.27 -0.57 1.01 -1.25 -0.54 0.00 0.00 175.26 174.18 1bhw s PRO 182 N 1.50 4.01 -0.27 4.30 0.05 -1.26 -4.40 135.00 138.93 1bhw s PRO 182 Ca 0.01 1.30 -0.18 0.00 0.05 0.00 0.00 61.00 62.18 1bhw s PRO 182 Cb -0.18 -2.20 0.08 0.00 0.05 0.00 0.00 34.50 32.25 1bhw s PRO 182 CO 0.04 -0.24 0.68 0.21 0.05 0.00 0.00 177.00 177.74 1bhw s LYS 183 N -3.09 0.72 0.16 4.56 2.20 -1.22 -4.67 119.74 118.40 1bhw s LYS 183 Ca 0.64 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.39 1bhw s LYS 183 Cb -0.15 0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.37 1bhw s LYS 183 CO 0.18 -0.14 1.37 -1.00 -0.36 0.00 0.00 175.35 175.41 1bhw h PRO 184 N 6.48 0.29 -2.26 4.03 0.13 -1.70 -3.38 132.00 135.59 1bhw h PRO 184 Ca -0.30 -0.29 0.19 0.00 -0.87 0.00 0.00 66.00 64.73 1bhw h PRO 184 Cb 1.21 0.08 -0.08 0.00 0.13 0.00 0.00 31.00 32.34 1bhw h PRO 184 CO 0.14 0.99 0.52 0.54 -0.23 0.00 0.00 178.00 179.95 1bhw s ASN 185 N -6.98 -0.16 -0.02 1.44 6.03 -1.26 -1.78 114.94 112.21 1bhw s ASN 185 Ca -0.04 -0.38 -0.01 0.00 -1.03 0.00 0.00 52.86 51.39 1bhw s ASN 185 Cb 0.10 0.46 0.00 0.00 -3.03 0.00 0.00 41.25 38.78 1bhw s ASN 185 CO 0.84 -0.85 0.03 1.21 -2.03 0.00 0.00 177.10 176.30 1bhw n GLU 186 N -0.47 -1.15 0.03 3.55 2.13 -1.26 -4.81 120.64 118.65 1bhw n GLU 186 Ca -0.06 1.23 0.13 0.00 0.66 0.00 0.00 57.16 59.12 1bhw n GLU 186 Cb 0.61 -1.69 0.54 0.00 0.27 0.00 0.00 31.44 31.17 1bhw n GLU 186 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1bhw n PRO 187 N 0.41 0.08 -2.97 5.31 -0.04 -1.26 -5.03 135.00 131.50 1bhw n PRO 187 Ca -0.04 0.09 -0.30 0.00 -0.04 0.00 0.00 63.50 63.21 1bhw n PRO 187 Cb 0.07 -1.59 -0.03 0.00 -0.04 0.00 0.00 33.50 31.91 1bhw n PRO 187 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1bhw s ARG 188 N -3.04 3.72 0.22 0.54 1.81 -1.25 -4.97 118.95 115.98 1bhw s ARG 188 Ca 0.12 0.32 -0.08 0.00 -1.72 0.00 0.00 55.73 54.38 1bhw s ARG 188 Cb 0.16 -2.46 0.32 0.00 -0.45 0.00 0.00 34.95 32.52 1bhw s ARG 188 CO 0.53 0.02 1.77 0.78 -0.68 0.00 0.00 175.30 177.72 1bhw h GLY 189 N 1.30 1.01 -6.53 -3.53 0.00 -1.87 -3.40 103.07 90.05 1bhw h GLY 189 Ca -0.47 -0.20 -0.36 0.00 0.00 0.00 0.00 47.33 46.30 1bhw h GLY 189 CO 0.64 0.04 -0.75 0.99 0.00 0.00 0.00 176.54 177.46 1bhw s ASP 190 N -5.47 0.62 -0.10 0.19 1.01 -0.61 -4.64 116.67 107.66 1bhw s ASP 190 Ca -0.13 -0.03 -0.06 0.00 0.71 0.00 0.00 52.55 53.04 1bhw s ASP 190 Cb 0.18 -0.25 -0.04 0.00 1.01 0.00 0.00 42.92 43.82 1bhw s ASP 190 CO 0.76 -0.12 0.14 -0.63 0.21 0.00 0.00 175.17 175.53 1bhw s ILE 191 N 1.20 5.45 0.45 0.77 1.01 -0.74 -1.62 121.20 127.73 1bhw s ILE 191 Ca -0.07 0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.48 1bhw s ILE 191 Cb -0.13 -3.40 -0.08 0.00 0.01 0.00 0.00 42.46 38.86 1bhw s ILE 191 CO -0.02 0.57 1.17 -0.76 0.00 0.00 0.00 174.94 175.90 1bhw s LEU 192 N -1.16 4.04 -0.95 2.97 1.43 -0.57 -3.63 118.68 120.80 1bhw s LEU 192 Ca 0.17 2.31 -0.04 0.00 -1.03 0.00 0.00 54.13 55.54 1bhw s LEU 192 Cb -0.12 -4.21 -0.05 0.00 0.03 0.00 0.00 46.19 41.84 1bhw s LEU 192 CO 0.06 -0.88 0.85 0.18 0.23 0.00 0.00 176.35 176.79 1bhw n LEU 193 N -0.41 -6.03 0.21 1.79 4.77 -1.26 -4.78 117.00 111.30 1bhw n LEU 193 Ca 0.07 -0.50 0.06 0.00 -0.03 0.00 0.00 56.01 55.61 1bhw n LEU 193 Cb 0.48 -3.25 0.46 0.00 -2.33 0.00 0.00 43.42 38.78 1bhw n LEU 193 CO 0.48 -0.30 0.79 1.55 -1.33 0.00 0.00 177.39 178.58 1bhw h PRO 194 N -0.58 0.00 -5.02 3.23 0.13 -1.73 -3.29 132.00 124.75 1bhw h PRO 194 Ca -0.41 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.36 1bhw h PRO 194 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1bhw h PRO 194 CO 0.39 0.30 -0.65 0.95 -0.23 0.00 0.00 178.00 178.76 1bhw s THR 195 N -4.06 0.92 0.42 1.56 -4.23 -1.26 -2.35 115.64 106.63 1bhw s THR 195 Ca -0.02 -2.02 0.16 0.00 -1.18 0.00 0.00 61.69 58.64 1bhw s THR 195 Cb 0.13 -2.36 0.37 0.00 1.34 0.00 0.00 72.50 71.98 1bhw s THR 195 CO 0.68 -0.30 1.87 0.00 -0.54 0.00 0.00 174.62 176.33 1bhw h ALA 196 N 2.49 2.16 -0.08 3.99 0.00 -1.91 -2.04 119.26 123.86 1bhw h ALA 196 Ca -0.38 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1bhw h ALA 196 Cb 1.22 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1bhw h ALA 196 CO 0.64 -0.42 0.03 0.78 0.00 0.00 0.00 179.25 180.28 1bhw h GLY 197 N 0.43 0.13 0.96 0.00 0.00 -1.96 -1.84 103.07 100.79 1bhw h GLY 197 Ca 0.44 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.71 1bhw h GLY 197 CO -0.16 0.07 0.27 0.45 0.00 0.00 0.00 176.54 177.17 1bhw h HIS 198 N -0.04 0.51 -0.61 5.60 -0.00 -1.77 -1.41 115.15 117.43 1bhw h HIS 198 Ca 0.03 0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.31 1bhw h HIS 198 Cb 0.19 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.41 1bhw h HIS 198 CO -0.01 0.31 0.00 0.00 -0.00 0.00 0.00 177.93 178.23 1bhw h ALA 199 N 1.17 0.85 -0.08 2.45 0.00 -1.29 -2.10 119.26 120.25 1bhw h ALA 199 Ca 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1bhw h ALA 199 Cb -0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1bhw h ALA 199 CO -0.05 0.67 0.01 0.82 0.00 0.00 0.00 179.25 180.70 1bhw h ILE 200 N 0.98 1.21 -0.56 0.00 2.04 -1.08 -1.20 117.51 118.89 1bhw h ILE 200 Ca 0.17 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.43 1bhw h ILE 200 Cb 0.55 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1bhw h ILE 200 CO 0.03 0.18 0.37 0.00 0.00 0.00 0.00 178.15 178.74 1bhw h ALA 201 N 0.78 1.76 -0.08 1.87 0.00 -1.19 -2.76 119.26 119.64 1bhw h ALA 201 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1bhw h ALA 201 Cb 0.27 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1bhw h ALA 201 CO 0.00 0.17 -0.09 0.35 0.00 0.00 0.00 179.25 179.68 1bhw h PHE 202 N 0.61 0.24 -0.96 0.00 3.57 -1.10 -3.24 116.94 116.07 1bhw h PHE 202 Ca 0.23 -0.07 0.19 0.00 3.53 0.00 0.00 57.97 61.85 1bhw h PHE 202 Cb 0.16 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.76 1bhw h PHE 202 CO -0.00 0.65 0.61 0.28 -2.23 0.00 0.00 178.31 177.62 1bhw h VAL 203 N -0.24 0.71 0.00 1.41 2.07 -0.95 0.32 116.25 119.57 1bhw h VAL 203 Ca 0.01 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1bhw h VAL 203 Cb 0.61 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1bhw h VAL 203 CO 0.02 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.72 1bhw n GLN 204 N -4.63 0.11 0.00 1.57 6.02 -1.09 -2.49 117.38 116.87 1bhw n GLN 204 Ca 0.21 0.48 0.11 0.00 -0.01 0.00 0.00 57.00 57.78 1bhw n GLN 204 Cb 0.61 -1.78 0.07 0.00 1.02 0.00 0.00 30.24 30.16 1bhw n GLN 204 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1bhw n GLU 205 N -2.01 1.87 -1.54 -1.09 -0.58 0.10 -4.92 120.64 112.48 1bhw n GLU 205 Ca 0.01 -1.64 -0.30 0.00 -0.42 0.00 0.00 57.16 54.81 1bhw n GLU 205 Cb 0.12 -1.41 0.10 0.00 -0.57 0.00 0.00 31.44 29.69 1bhw n GLU 205 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1bhw s LEU 206 N -1.86 2.44 0.19 -4.62 1.43 -1.04 -4.98 118.68 110.24 1bhw s LEU 206 Ca 0.24 1.23 -0.08 0.00 -1.03 0.00 0.00 54.13 54.48 1bhw s LEU 206 Cb 0.18 -3.76 0.09 0.00 0.03 0.00 0.00 46.19 42.73 1bhw s LEU 206 CO 0.30 -2.14 1.62 -0.08 0.23 0.00 0.00 176.35 176.29 1bhw h GLU 207 N -1.21 0.98 -2.42 1.70 4.81 -1.92 -3.34 114.58 113.18 1bhw h GLU 207 Ca -0.48 -0.36 -0.60 0.00 -0.13 0.00 0.00 59.36 57.80 1bhw h GLU 207 Cb 1.28 -0.07 -0.41 0.00 0.63 0.00 0.00 28.75 30.19 1bhw h GLU 207 CO 0.60 1.03 -0.76 0.54 -0.73 0.00 0.00 179.01 179.69 1bhw n ARG 208 N -4.15 1.58 0.06 1.92 1.74 -1.26 -4.96 116.66 111.59 1bhw n ARG 208 Ca 0.02 -4.07 0.18 0.00 -0.77 0.00 0.00 57.85 53.20 1bhw n ARG 208 Cb 0.40 -1.95 0.69 0.00 -1.02 0.00 0.00 32.46 30.58 1bhw n ARG 208 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1bhw h PRO 209 N 4.70 0.00 0.00 5.56 0.13 -1.80 -1.47 132.00 139.11 1bhw h PRO 209 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1bhw h PRO 209 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1bhw h PRO 209 CO 0.65 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.47 1bhw h GLU 210 N 0.00 0.00 -0.01 0.86 9.09 -1.93 -0.68 114.58 121.91 1bhw h GLU 210 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.61 1bhw h GLU 210 Cb 0.81 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.91 1bhw h GLU 210 CO -0.00 0.00 -0.21 1.28 0.05 0.00 0.00 179.01 180.13 1bhw n LEU 211 N -3.06 1.06 -4.37 3.06 4.77 -0.55 -4.91 117.00 113.00 1bhw n LEU 211 Ca -0.02 -0.28 -0.32 0.00 -0.03 0.00 0.00 56.01 55.36 1bhw n LEU 211 Cb 0.16 -0.11 -0.15 0.00 -2.33 0.00 0.00 43.42 40.99 1bhw n LEU 211 CO 0.23 0.19 -0.50 -0.36 -1.33 0.00 0.00 177.39 175.62 1bhw s PHE 212 N -2.43 2.60 0.00 -1.77 0.08 -0.26 -1.00 117.98 115.20 1bhw s PHE 212 Ca 0.27 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.83 1bhw s PHE 212 Cb 0.20 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.99 1bhw s PHE 212 CO 0.49 -0.06 0.00 0.41 -0.10 0.00 0.00 175.22 175.96 1bhw n GLY 213 N 2.80 4.61 3.37 4.36 0.00 -0.09 -4.96 105.19 115.27 1bhw n GLY 213 Ca -0.17 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.44 1bhw n GLY 213 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bhw s ILE 214 N -1.37 1.70 -0.60 -0.61 -4.36 0.39 -1.55 121.20 114.81 1bhw s ILE 214 Ca 0.00 -2.19 0.05 0.00 -0.26 0.00 0.00 60.65 58.26 1bhw s ILE 214 Cb 0.00 -2.16 0.20 0.00 1.25 0.00 0.00 42.46 41.75 1bhw s ILE 214 CO 0.00 -0.51 0.54 -3.20 0.24 0.00 0.00 174.94 172.01 1bhw n ASN 215 N -0.44 2.22 -4.77 4.36 5.15 0.55 -2.57 115.26 119.76 1bhw n ASN 215 Ca -0.07 -3.05 -0.37 0.00 -0.60 0.00 0.00 54.58 50.49 1bhw n ASN 215 Cb 0.61 -0.68 -0.02 0.00 -0.53 0.00 0.00 39.78 39.16 1bhw n ASN 215 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1bhw s PRO 216 N -1.41 3.82 -0.06 1.20 0.04 -1.26 -4.23 135.00 133.10 1bhw s PRO 216 Ca 0.32 1.69 0.05 0.00 0.04 0.00 0.00 61.00 63.10 1bhw s PRO 216 Cb 0.05 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 1bhw s PRO 216 CO -0.13 -0.48 -0.23 -2.00 0.04 0.00 0.00 177.00 174.20 1bhw s GLU 217 N -2.72 2.61 0.07 4.56 2.12 -1.26 -2.01 118.70 122.07 1bhw s GLU 217 Ca 0.63 -0.87 -0.18 0.00 0.36 0.00 0.00 54.97 54.92 1bhw s GLU 217 Cb -0.26 -2.22 -0.06 0.00 0.26 0.00 0.00 34.13 31.85 1bhw s GLU 217 CO 0.32 0.39 1.29 1.15 -0.54 0.00 0.00 175.26 177.87 1bhw h THR 218 N 5.02 0.00 -0.03 -1.70 2.02 -1.63 -2.01 112.91 114.58 1bhw h THR 218 Ca -0.33 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.86 1bhw h THR 218 Cb 1.18 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1bhw h THR 218 CO 0.48 0.00 0.03 1.23 0.37 0.00 0.00 175.52 177.63 1bhw h GLY 219 N -0.22 0.00 0.98 2.16 0.00 -1.86 -2.90 103.07 101.24 1bhw h GLY 219 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1bhw h GLY 219 CO -0.31 0.00 0.22 3.43 0.00 0.00 0.00 176.54 179.88 1bhw h ASN 220 N 0.00 0.46 0.52 0.19 4.21 -1.72 0.92 115.58 120.15 1bhw h ASN 220 Ca 0.02 -0.07 -0.18 0.00 1.21 0.00 0.00 56.30 57.28 1bhw h ASN 220 Cb 0.08 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.15 1bhw h ASN 220 CO -0.00 0.39 -0.81 -0.33 -1.29 0.00 0.00 177.43 175.39 1bhw h GLU 221 N 0.49 0.21 0.00 0.81 4.39 -1.42 -3.02 114.58 116.04 1bhw h GLU 221 Ca 0.13 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1bhw h GLU 221 Cb 0.02 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1bhw h GLU 221 CO -0.02 0.91 -0.17 1.96 -1.16 0.00 0.00 179.01 180.53 1bhw h GLN 222 N 0.13 0.00 0.00 2.33 4.20 -1.39 -2.22 115.11 118.16 1bhw h GLN 222 Ca -0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1bhw h GLN 222 Cb 1.40 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.18 1bhw h GLN 222 CO 0.12 0.17 -0.05 0.52 -0.67 0.00 0.00 178.83 178.92 1bhw h MET 223 N 0.00 0.00 -0.31 1.46 2.86 -0.68 0.11 114.93 118.37 1bhw h MET 223 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1bhw h MET 223 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1bhw h MET 223 CO 0.02 0.05 0.00 0.43 1.06 0.00 0.00 176.91 178.48 1bhw n SER 224 N -3.50 3.23 -2.74 1.22 7.64 -0.88 -4.05 113.62 114.54 1bhw n SER 224 Ca -0.02 -1.94 -0.20 0.00 1.01 0.00 0.00 58.87 57.72 1bhw n SER 224 Cb 0.17 -0.20 0.04 0.00 -1.01 0.00 0.00 64.21 63.21 1bhw n SER 224 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1bhw n ASN 225 N 1.32 -5.68 -4.95 6.43 5.15 0.02 -5.00 115.26 112.56 1bhw n ASN 225 Ca 0.17 -0.27 -0.23 0.00 -0.60 0.00 0.00 54.58 53.64 1bhw n ASN 225 Cb 0.56 -4.49 -0.01 0.00 -0.53 0.00 0.00 39.78 35.30 1bhw n ASN 225 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1bhw s LEU 226 N -6.05 4.06 -0.54 1.20 1.43 -0.92 -4.99 118.68 112.86 1bhw s LEU 226 Ca 0.29 0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 53.52 1bhw s LEU 226 Cb -0.13 -3.25 0.03 0.00 0.03 0.00 0.00 46.19 42.87 1bhw s LEU 226 CO 0.36 -0.26 1.06 0.21 0.23 0.00 0.00 176.35 177.94 1bhw s ASN 227 N -4.02 6.43 0.09 2.29 3.84 -1.26 -4.29 114.94 118.02 1bhw s ASN 227 Ca 0.39 -0.02 -0.27 0.00 0.21 0.00 0.00 52.86 53.17 1bhw s ASN 227 Cb -0.10 -2.50 -0.15 0.00 -0.55 0.00 0.00 41.25 37.96 1bhw s ASN 227 CO 0.35 -1.31 1.68 0.15 -2.79 0.00 0.00 177.10 175.18 1bhw h PHE 228 N 9.37 -0.41 -0.77 0.43 3.57 -1.91 -2.07 116.94 125.15 1bhw h PHE 228 Ca -0.25 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.37 1bhw h PHE 228 Cb 1.07 0.15 -0.09 0.00 2.79 0.00 0.00 35.95 39.86 1bhw h PHE 228 CO 0.96 -0.25 0.36 1.15 -2.23 0.00 0.00 178.31 178.31 1bhw h THR 229 N -0.41 0.74 -0.22 4.41 2.02 -1.92 -1.12 112.91 116.41 1bhw h THR 229 Ca -0.03 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 1bhw h THR 229 Cb 0.34 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1bhw h THR 229 CO 0.03 0.10 -0.29 1.56 0.37 0.00 0.00 175.52 177.30 1bhw h GLN 230 N 0.55 0.43 -0.02 6.66 4.20 -1.92 -0.84 115.11 124.17 1bhw h GLN 230 Ca 0.41 -0.17 -0.17 0.00 0.06 0.00 0.00 58.65 58.78 1bhw h GLN 230 Cb 0.56 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1bhw h GLN 230 CO -0.35 0.68 -0.75 0.78 -0.67 0.00 0.00 178.83 178.52 1bhw h GLY 231 N 1.04 0.19 1.07 3.46 0.00 -0.66 -2.65 103.07 105.52 1bhw h GLY 231 Ca 0.05 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 1bhw h GLY 231 CO 0.05 0.26 -0.15 -2.22 0.00 0.00 0.00 176.54 174.47 1bhw h ILE 232 N 0.11 1.27 -0.61 2.60 1.08 -0.99 -0.29 117.51 120.69 1bhw h ILE 232 Ca -0.02 -1.30 0.05 0.00 -0.39 0.00 0.00 64.86 63.20 1bhw h ILE 232 Cb 1.32 1.11 -0.05 0.00 -3.07 0.00 0.00 36.82 36.13 1bhw h ILE 232 CO 0.11 0.45 0.33 0.00 -0.69 0.00 0.00 178.15 178.35 1bhw h ALA 233 N 0.87 0.80 -0.39 1.87 0.00 -1.02 0.11 119.26 121.50 1bhw h ALA 233 Ca 0.12 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1bhw h ALA 233 Cb 0.72 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1bhw h ALA 233 CO 0.05 0.01 -0.19 0.37 0.00 0.00 0.00 179.25 179.49 1bhw h GLN 234 N 0.62 0.82 -0.91 0.00 4.15 -1.29 -1.34 115.11 117.17 1bhw h GLN 234 Ca 0.27 -0.36 0.03 0.00 0.77 0.00 0.00 58.65 59.36 1bhw h GLN 234 Cb 0.15 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 1bhw h GLN 234 CO -0.17 0.99 0.59 0.00 -1.93 0.00 0.00 178.83 178.32 1bhw h ALA 235 N 0.81 1.19 -0.56 3.38 0.00 -0.26 -2.22 119.26 121.59 1bhw h ALA 235 Ca 0.09 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1bhw h ALA 235 Cb 0.74 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1bhw h ALA 235 CO 0.06 0.48 0.08 -0.07 0.00 0.00 0.00 179.25 179.80 1bhw h LEU 236 N 1.17 0.91 -1.40 0.00 3.38 -0.66 -0.97 115.31 117.74 1bhw h LEU 236 Ca 0.35 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1bhw h LEU 236 Cb -0.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1bhw h LEU 236 CO -0.10 0.95 0.42 -0.25 0.09 0.00 0.00 178.44 179.54 1bhw h TRP 237 N 0.84 0.77 0.00 1.13 7.01 -0.65 -1.93 115.95 123.12 1bhw h TRP 237 Ca 0.17 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.19 1bhw h TRP 237 Cb 0.43 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 1bhw h TRP 237 CO 0.03 0.47 -0.38 0.45 -2.79 0.00 0.00 178.44 176.23 1bhw h HIS 238 N 0.82 0.00 -4.38 2.65 3.86 -1.31 -3.48 115.15 113.30 1bhw h HIS 238 Ca 0.24 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.21 1bhw h HIS 238 Cb -0.03 0.00 0.11 0.00 1.06 0.00 0.00 27.41 28.54 1bhw h HIS 238 CO -0.00 0.00 -0.49 1.63 0.86 0.00 0.00 177.93 179.93 1bhw n LYS 239 N -2.70 -4.83 -0.03 2.45 5.02 -0.54 -4.96 118.16 112.57 1bhw n LYS 239 Ca 0.03 0.57 0.04 0.00 -2.02 0.00 0.00 58.31 56.93 1bhw n LYS 239 Cb 0.51 -4.78 0.06 0.00 -0.02 0.00 0.00 35.03 30.80 1bhw n LYS 239 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1bhw n LYS 240 N -3.28 2.28 -2.74 1.97 4.76 -0.48 -4.92 118.16 115.75 1bhw n LYS 240 Ca -0.12 -1.93 -0.43 0.00 -2.87 0.00 0.00 58.31 52.97 1bhw n LYS 240 Cb 0.59 -1.20 -0.02 0.00 -1.84 0.00 0.00 35.03 32.55 1bhw n LYS 240 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1bhw s LEU 241 N -1.76 4.27 0.19 -0.35 2.96 -1.24 -0.46 118.68 122.29 1bhw s LEU 241 Ca 0.13 -1.89 0.16 0.00 -0.22 0.00 0.00 54.13 52.31 1bhw s LEU 241 Cb 0.11 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 1bhw s LEU 241 CO 0.01 -1.24 1.20 -0.26 -1.32 0.00 0.00 176.35 174.74 1bhw h PHE 242 N 9.03 0.00 -2.71 5.38 -1.00 -1.85 -3.48 116.94 122.31 1bhw h PHE 242 Ca 0.21 0.00 0.11 0.00 2.81 0.00 0.00 57.97 61.10 1bhw h PHE 242 Cb 0.99 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.48 1bhw h PHE 242 CO 1.23 0.51 0.34 -1.58 -1.61 0.00 0.00 178.31 177.21 1bhw s HIS 243 N -2.96 -0.20 -0.08 -0.55 2.46 -1.21 -4.87 115.29 107.88 1bhw s HIS 243 Ca 0.01 -0.16 -0.10 0.00 0.47 0.00 0.00 55.06 55.27 1bhw s HIS 243 Cb 0.08 0.66 0.02 0.00 -0.13 0.00 0.00 32.58 33.22 1bhw s HIS 243 CO 0.77 -1.02 0.28 -1.50 -2.47 0.00 0.00 174.74 170.80 1bhw s ILE 244 N -3.62 0.02 -0.22 0.89 2.07 -1.26 -4.10 121.20 114.97 1bhw s ILE 244 Ca 0.10 -0.14 -0.05 0.00 -1.41 0.00 0.00 60.65 59.15 1bhw s ILE 244 Cb -0.04 -0.44 -0.02 0.00 0.13 0.00 0.00 42.46 42.09 1bhw s ILE 244 CO 0.03 -0.08 0.01 -1.81 -1.91 0.00 0.00 174.94 171.18 1bhw s ASP 245 N -0.22 4.74 -0.15 4.50 1.01 -0.85 -3.13 116.67 122.57 1bhw s ASP 245 Ca -0.03 -0.27 -0.04 0.00 0.71 0.00 0.00 52.55 52.92 1bhw s ASP 245 Cb -0.03 -1.83 -0.03 0.00 1.01 0.00 0.00 42.92 42.04 1bhw s ASP 245 CO 0.01 0.01 -0.01 -0.76 0.21 0.00 0.00 175.17 174.63 1bhw s LEU 246 N 1.35 3.42 0.00 1.23 1.43 0.18 -1.76 118.68 124.52 1bhw s LEU 246 Ca 0.04 -0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1bhw s LEU 246 Cb -0.15 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.26 1bhw s LEU 246 CO 0.01 0.19 0.23 -0.46 0.23 0.00 0.00 176.35 176.55 1bhw n ASN 247 N 3.38 -0.50 -4.24 2.29 0.23 -1.26 -2.46 115.26 112.70 1bhw n ASN 247 Ca -0.17 -1.30 -0.22 0.00 -0.53 0.00 0.00 54.58 52.36 1bhw n ASN 247 Cb 0.52 0.82 -0.12 0.00 -2.08 0.00 0.00 39.78 38.92 1bhw n ASN 247 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1bhw s GLY 248 N -1.92 1.09 0.05 4.83 0.00 -0.31 -4.30 107.32 106.76 1bhw s GLY 248 Ca 0.05 -1.15 -0.16 0.00 0.00 0.00 0.00 44.72 43.47 1bhw s GLY 248 CO 0.02 -1.16 0.36 1.62 0.00 0.00 0.00 173.10 173.94 1bhw s GLN 249 N -1.82 0.89 -0.83 2.90 2.00 -1.26 -1.38 119.66 120.16 1bhw s GLN 249 Ca 0.03 -0.48 0.01 0.00 -2.00 0.00 0.00 55.36 52.92 1bhw s GLN 249 Cb -0.10 0.39 0.21 0.00 0.80 0.00 0.00 33.01 34.31 1bhw s GLN 249 CO 0.03 -0.30 0.74 0.72 -0.50 0.00 0.00 175.29 175.98 1bhw n HIS 250 N 0.44 3.80 -4.28 1.67 8.25 -1.26 -3.48 115.22 120.36 1bhw n HIS 250 Ca -0.18 -4.11 0.00 0.00 -0.26 0.00 0.00 57.72 53.17 1bhw n HIS 250 Cb 0.60 -0.94 0.00 0.00 1.12 0.00 0.00 29.99 30.77 1bhw n HIS 250 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bhw n GLY 251 N 1.98 0.89 3.57 -1.41 0.00 -1.26 -4.59 105.19 104.36 1bhw n GLY 251 Ca 0.22 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 1bhw n GLY 251 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bhw s PRO 252 N 0.00 2.77 0.13 1.61 0.02 -1.22 -4.34 135.00 133.96 1bhw s PRO 252 Ca 0.00 1.06 -0.23 0.00 0.02 0.00 0.00 61.00 61.84 1bhw s PRO 252 Cb 0.00 -4.36 0.08 0.00 0.02 0.00 0.00 34.50 30.24 1bhw s PRO 252 CO 0.00 -2.54 1.10 0.36 -0.33 0.00 0.00 177.00 175.59 1bhw n LYS 253 N 8.91 0.52 -0.81 5.54 2.85 -1.26 -5.08 118.16 128.83 1bhw n LYS 253 Ca 0.24 -1.28 -0.34 0.00 -1.05 0.00 0.00 58.31 55.89 1bhw n LYS 253 Cb 0.51 1.80 0.12 0.00 -0.65 0.00 0.00 35.03 36.80 1bhw n LYS 253 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1bhw n PHE 254 N -0.78 -2.00 -2.11 5.58 -1.74 -1.26 -4.84 117.46 110.32 1bhw n PHE 254 Ca -0.00 0.20 -0.43 0.00 -0.56 0.00 0.00 57.45 56.65 1bhw n PHE 254 Cb 0.58 -1.64 -0.02 0.00 1.52 0.00 0.00 39.48 39.91 1bhw n PHE 254 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1bhw s ASP 255 N -1.75 6.05 0.02 5.98 2.15 -1.26 -4.90 116.67 122.96 1bhw s ASP 255 Ca 0.53 1.16 0.04 0.00 0.43 0.00 0.00 52.55 54.70 1bhw s ASP 255 Cb -0.16 -2.53 -0.25 0.00 -0.30 0.00 0.00 42.92 39.69 1bhw s ASP 255 CO 0.69 -1.61 0.91 1.56 -0.17 0.00 0.00 175.17 176.55 1bhw h GLN 256 N 12.13 0.12 -6.16 4.34 4.20 -1.88 -3.49 115.11 124.36 1bhw h GLN 256 Ca -0.32 -0.20 -0.44 0.00 0.06 0.00 0.00 58.65 57.76 1bhw h GLN 256 Cb 1.15 0.07 0.03 0.00 0.30 0.00 0.00 27.48 29.03 1bhw h GLN 256 CO 1.05 0.92 -0.82 -0.25 -0.67 0.00 0.00 178.83 179.06 1bhw n ASP 257 N -3.32 -1.79 -4.83 1.46 8.00 -1.21 -4.75 116.55 110.11 1bhw n ASP 257 Ca -0.12 -0.83 -0.29 0.00 0.71 0.00 0.00 54.79 54.26 1bhw n ASP 257 Cb 1.02 -3.95 0.11 0.00 -0.02 0.00 0.00 41.12 38.28 1bhw n ASP 257 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bhw s LEU 258 N -6.82 2.28 0.58 0.64 1.43 -0.48 -0.94 118.68 115.38 1bhw s LEU 258 Ca 0.13 0.95 -0.20 0.00 -1.03 0.00 0.00 54.13 53.98 1bhw s LEU 258 Cb -0.07 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1bhw s LEU 258 CO 0.82 -2.21 1.20 0.52 0.23 0.00 0.00 176.35 176.90 1bhw n VAL 259 N -3.54 4.02 -1.71 -1.59 0.31 -1.26 -1.16 118.33 113.40 1bhw n VAL 259 Ca 0.07 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.47 1bhw n VAL 259 Cb 0.59 -1.42 -0.02 0.00 -0.91 0.00 0.00 33.84 32.08 1bhw n VAL 259 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1bhw n PHE 260 N -1.46 2.54 0.00 3.52 7.35 -1.26 -2.22 117.46 125.92 1bhw n PHE 260 Ca 0.13 0.33 0.00 0.00 -0.76 0.00 0.00 57.45 57.15 1bhw n PHE 260 Cb 0.46 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.75 1bhw n PHE 260 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1bhw n GLY 261 N 2.20 2.01 0.26 7.13 0.00 -1.26 -4.80 105.19 110.73 1bhw n GLY 261 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 1bhw n GLY 261 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bhw n HIS 262 N -2.00 0.00 0.00 1.61 8.25 -0.94 -4.20 115.22 117.94 1bhw n HIS 262 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1bhw n HIS 262 Cb 0.00 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1bhw n HIS 262 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bhw n GLY 263 N 1.25 0.10 3.42 -1.41 0.00 -1.26 -4.85 105.19 102.44 1bhw n GLY 263 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 1bhw n GLY 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bhw s ASP 264 N -0.73 6.56 0.13 1.61 -1.08 -1.23 -4.88 116.67 117.05 1bhw s ASP 264 Ca 0.00 -2.00 -0.18 0.00 -0.52 0.00 0.00 52.55 49.85 1bhw s ASP 264 Cb 0.00 -2.36 -0.04 0.00 -1.46 0.00 0.00 42.92 39.07 1bhw s ASP 264 CO 0.00 -1.02 1.79 0.25 0.52 0.00 0.00 175.17 176.71 1bhw h LEU 265 N 9.98 0.30 -1.07 -1.34 5.85 -1.92 -2.08 115.31 125.03 1bhw h LEU 265 Ca 0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1bhw h LEU 265 Cb 1.04 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1bhw h LEU 265 CO 1.05 0.22 0.59 -0.07 -0.34 0.00 0.00 178.44 179.89 1bhw h LEU 266 N 0.36 1.07 -0.61 2.25 3.38 -1.92 -1.37 115.31 118.46 1bhw h LEU 266 Ca 0.10 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1bhw h LEU 266 Cb -0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1bhw h LEU 266 CO -0.03 0.79 -0.69 -1.13 0.09 0.00 0.00 178.44 177.47 1bhw h ASN 267 N 1.25 0.07 -0.49 -0.43 -0.73 -1.95 -2.41 115.58 110.89 1bhw h ASN 267 Ca 0.33 -0.05 -0.07 0.00 1.87 0.00 0.00 56.30 58.39 1bhw h ASN 267 Cb -0.12 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.44 1bhw h ASN 267 CO -0.07 0.73 0.04 0.00 -0.37 0.00 0.00 177.43 177.77 1bhw h ALA 268 N 1.27 0.65 0.04 1.57 0.00 -0.86 -0.79 119.26 121.14 1bhw h ALA 268 Ca -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bhw h ALA 268 Cb 1.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1bhw h ALA 268 CO 0.09 0.42 -0.02 0.35 0.00 0.00 0.00 179.25 180.09 1bhw h PHE 269 N 0.70 -0.05 0.00 0.00 3.57 -1.08 -1.27 116.94 118.81 1bhw h PHE 269 Ca 0.14 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1bhw h PHE 269 Cb 0.45 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1bhw h PHE 269 CO 0.03 0.07 -0.24 0.66 -2.23 0.00 0.00 178.31 176.60 1bhw h SER 270 N -0.16 0.00 -0.03 0.41 4.64 -1.41 -1.70 113.55 115.30 1bhw h SER 270 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1bhw h SER 270 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1bhw h SER 270 CO 0.01 0.24 -0.03 0.25 -0.87 0.00 0.00 176.83 176.43 1bhw h LEU 271 N 0.00 0.08 -0.90 5.97 5.85 -0.66 -2.48 115.31 123.17 1bhw h LEU 271 Ca -0.00 -0.50 0.04 0.00 0.84 0.00 0.00 57.88 58.26 1bhw h LEU 271 Cb 0.55 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1bhw h LEU 271 CO 0.03 0.56 0.58 0.58 -0.34 0.00 0.00 178.44 179.85 1bhw h VAL 272 N -0.41 1.14 -0.33 1.05 2.07 -1.12 -1.79 116.25 116.86 1bhw h VAL 272 Ca 0.00 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1bhw h VAL 272 Cb 0.54 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1bhw h VAL 272 CO 0.01 0.20 0.12 -0.78 0.02 0.00 0.00 177.57 177.15 1bhw h ASP 273 N 1.12 0.14 -0.41 0.57 3.58 -1.29 -2.11 116.42 118.02 1bhw h ASP 273 Ca 0.36 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.84 1bhw h ASP 273 Cb 0.02 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1bhw h ASP 273 CO -0.12 0.12 0.23 0.25 -2.88 0.00 0.00 179.24 176.84 1bhw h LEU 274 N 0.27 0.51 -0.14 2.28 5.85 -0.95 -0.84 115.31 122.29 1bhw h LEU 274 Ca 0.15 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1bhw h LEU 274 Cb 0.11 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1bhw h LEU 274 CO -0.15 0.44 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.13 1bhw h LEU 275 N 0.54 0.40 0.07 2.25 3.38 -1.18 -3.37 115.31 117.39 1bhw h LEU 275 Ca 0.15 -0.52 -0.33 0.00 0.09 0.00 0.00 57.88 57.27 1bhw h LEU 275 Cb 0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1bhw h LEU 275 CO -0.02 0.84 -1.82 -0.33 0.09 0.00 0.00 178.44 177.20 1bhw h GLU 276 N -0.03 0.14 -2.24 1.13 4.39 -1.43 0.26 114.58 116.80 1bhw h GLU 276 Ca 0.01 -0.24 -0.75 0.00 0.34 0.00 0.00 59.36 58.72 1bhw h GLU 276 Cb 0.75 0.09 -0.23 0.00 -0.10 0.00 0.00 28.75 29.26 1bhw h GLU 276 CO 0.04 0.87 1.26 0.09 -1.16 0.00 0.00 179.01 180.11 1bhw n ASN 277 N -3.28 7.46 -2.94 1.42 3.02 -0.32 -3.11 115.26 117.51 1bhw n ASN 277 Ca -0.23 -3.56 -0.14 0.00 -0.03 0.00 0.00 54.58 50.61 1bhw n ASN 277 Cb 1.05 -1.19 0.10 0.00 -0.61 0.00 0.00 39.78 39.13 1bhw n ASN 277 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bhw n GLY 278 N 0.29 -1.43 3.72 7.41 0.00 0.09 -4.80 105.19 110.47 1bhw n GLY 278 Ca 0.52 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1bhw n GLY 278 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bhw s PRO 279 N -4.41 4.36 0.00 1.61 0.04 -1.23 -3.30 135.00 132.07 1bhw s PRO 279 Ca 0.37 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1bhw s PRO 279 Cb -0.01 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1bhw s PRO 279 CO 0.26 -0.35 0.00 -0.40 0.04 0.00 0.00 177.00 176.55 1bhw n ASP 280 N 3.75 -1.31 0.00 6.66 5.68 -1.26 -4.15 116.55 125.92 1bhw n ASP 280 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.39 1bhw n ASP 280 Cb 0.44 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1bhw n ASP 280 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bhw n GLY 281 N -0.55 1.12 3.77 6.12 0.00 -1.21 -4.92 105.19 109.52 1bhw n GLY 281 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1bhw n GLY 281 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhw s ALA 282 N 0.00 2.37 0.65 4.61 0.00 -1.26 -4.39 121.76 123.74 1bhw s ALA 282 Ca 0.00 0.44 -0.18 0.00 0.00 0.00 0.00 51.96 52.22 1bhw s ALA 282 Cb 0.00 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 1bhw s ALA 282 CO 0.00 -1.50 1.24 -2.30 0.00 0.00 0.00 175.76 173.20 1bhw n PRO 283 N -2.89 1.05 0.16 0.00 -0.02 -1.18 -0.73 135.00 131.39 1bhw n PRO 283 Ca 0.10 0.41 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 1bhw n PRO 283 Cb 0.52 -2.48 0.10 0.00 -0.02 0.00 0.00 33.50 31.63 1bhw n PRO 283 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bhw h ALA 284 N 0.47 0.76 -3.83 3.55 0.00 -0.65 -3.43 119.26 116.12 1bhw h ALA 284 Ca -0.50 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 53.98 1bhw h ALA 284 Cb 1.34 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.83 1bhw h ALA 284 CO 0.52 0.00 -0.79 -0.47 0.00 0.00 0.00 179.25 178.52 1bhw s TYR 285 N -3.28 0.92 -0.05 0.00 5.04 -1.21 -5.04 117.35 113.73 1bhw s TYR 285 Ca 0.04 -0.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.46 1bhw s TYR 285 Cb 0.08 -0.65 0.04 0.00 0.35 0.00 0.00 41.96 41.77 1bhw s TYR 285 CO 0.72 -0.09 1.03 -0.40 -1.34 0.00 0.00 175.55 175.47 1bhw n ASP 286 N 3.25 2.08 -2.14 4.32 5.75 -1.26 -4.91 116.55 123.64 1bhw n ASP 286 Ca -0.18 -2.09 -0.02 0.00 -0.01 0.00 0.00 54.79 52.50 1bhw n ASP 286 Cb 0.55 -0.05 0.01 0.00 -1.03 0.00 0.00 41.12 40.60 1bhw n ASP 286 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bhw n GLY 287 N -0.52 -0.45 3.72 6.12 0.00 -1.26 -5.03 105.19 107.76 1bhw n GLY 287 Ca 0.02 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 1bhw n GLY 287 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bhw s PRO 288 N -2.96 2.14 -0.72 1.61 0.02 -1.26 -4.96 135.00 128.87 1bhw s PRO 288 Ca 0.05 1.77 -0.08 0.00 0.02 0.00 0.00 61.00 62.75 1bhw s PRO 288 Cb -0.00 -1.83 0.19 0.00 0.02 0.00 0.00 34.50 32.87 1bhw s PRO 288 CO 0.03 -1.83 0.60 1.03 -0.33 0.00 0.00 177.00 176.50 1bhw s ARG 289 N -3.90 3.07 -0.17 5.54 3.00 0.56 -4.32 118.95 122.73 1bhw s ARG 289 Ca 0.74 -2.48 -0.15 0.00 0.00 0.00 0.00 55.73 53.84 1bhw s ARG 289 Cb -0.29 -4.08 -0.04 0.00 0.00 0.00 0.00 34.95 30.54 1bhw s ARG 289 CO 0.45 -1.23 0.36 -1.58 0.00 0.00 0.00 175.30 173.30 1bhw s HIS 290 N 0.08 3.43 -0.40 -0.53 2.46 -1.18 -1.60 115.29 117.54 1bhw s HIS 290 Ca 0.17 0.64 -0.18 0.00 0.47 0.00 0.00 55.06 56.16 1bhw s HIS 290 Cb -0.16 -2.45 0.01 0.00 -0.13 0.00 0.00 32.58 29.85 1bhw s HIS 290 CO -0.06 0.11 0.52 -0.06 -2.47 0.00 0.00 174.74 172.78 1bhw s PHE 291 N 0.88 3.15 -0.63 3.88 0.08 -0.64 0.50 117.98 125.20 1bhw s PHE 291 Ca 0.19 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.17 1bhw s PHE 291 Cb -0.14 -3.02 0.16 0.00 -0.57 0.00 0.00 43.02 39.45 1bhw s PHE 291 CO 0.07 -0.68 0.42 0.34 -0.10 0.00 0.00 175.22 175.27 1bhw s ASP 292 N 1.84 4.94 0.32 1.36 2.15 -1.03 -3.88 116.67 122.37 1bhw s ASP 292 Ca 0.17 -3.12 0.07 0.00 0.43 0.00 0.00 52.55 50.10 1bhw s ASP 292 Cb -0.16 -1.76 -0.03 0.00 -0.30 0.00 0.00 42.92 40.67 1bhw s ASP 292 CO 0.15 -0.27 0.27 -0.72 -0.17 0.00 0.00 175.17 174.43 1bhw s TYR 293 N -0.45 1.72 -0.03 -5.34 1.13 -1.26 -4.58 117.35 108.54 1bhw s TYR 293 Ca 0.19 -1.65 0.00 0.00 -1.41 0.00 0.00 57.07 54.21 1bhw s TYR 293 Cb -0.19 -0.71 0.03 0.00 -1.10 0.00 0.00 41.96 39.99 1bhw s TYR 293 CO -0.04 -0.86 0.00 0.15 -2.51 0.00 0.00 175.55 172.29 1bhw s LYS 294 N -3.49 0.26 0.18 -3.49 1.02 -0.11 -4.35 119.74 109.75 1bhw s LYS 294 Ca 0.41 0.08 -0.32 0.00 0.02 0.00 0.00 55.97 56.16 1bhw s LYS 294 Cb 0.03 -0.44 -0.10 0.00 -0.52 0.00 0.00 37.83 36.79 1bhw s LYS 294 CO 0.27 -0.13 1.59 -2.14 -0.92 0.00 0.00 175.35 174.02 1bhw s PRO 295 N 0.96 4.20 0.47 -1.68 0.02 -1.26 -4.68 135.00 133.03 1bhw s PRO 295 Ca -0.09 2.41 -0.21 0.00 0.02 0.00 0.00 61.00 63.12 1bhw s PRO 295 Cb -0.13 -3.13 -0.11 0.00 0.02 0.00 0.00 34.50 31.15 1bhw s PRO 295 CO -0.02 -0.63 0.65 0.43 -0.33 0.00 0.00 177.00 177.11 1bhw n SER 296 N 3.87 -0.41 0.32 2.53 7.64 -1.26 -4.86 113.62 121.44 1bhw n SER 296 Ca 0.14 0.88 0.20 0.00 1.01 0.00 0.00 58.87 61.10 1bhw n SER 296 Cb 0.38 -1.19 1.10 0.00 -1.01 0.00 0.00 64.21 63.48 1bhw n SER 296 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1bhw h ARG 297 N 0.76 0.00 0.00 1.43 2.43 -1.91 -1.28 114.38 115.81 1bhw h ARG 297 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1bhw h ARG 297 Cb 1.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 1bhw h ARG 297 CO 0.51 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 179.22 1bhw n THR 298 N -3.32 0.41 -3.74 0.20 -2.24 -1.26 -4.84 114.28 99.50 1bhw n THR 298 Ca -0.03 0.08 -0.24 0.00 -2.27 0.00 0.00 64.05 61.59 1bhw n THR 298 Cb 0.11 -0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 67.61 1bhw n THR 298 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1bhw s GLU 299 N -3.01 3.48 0.24 -0.78 0.41 -0.48 -5.10 118.70 113.45 1bhw s GLU 299 Ca 0.11 -0.50 0.03 0.00 -0.41 0.00 0.00 54.97 54.21 1bhw s GLU 299 Cb 0.15 -2.83 0.03 0.00 -1.78 0.00 0.00 34.13 29.70 1bhw s GLU 299 CO 0.43 0.37 0.27 -0.40 -0.49 0.00 0.00 175.26 175.44 1bhw n ASP 300 N -1.13 1.26 0.24 -0.19 5.68 -1.26 -4.85 116.55 116.29 1bhw n ASP 300 Ca -0.06 -1.72 0.13 0.00 -0.50 0.00 0.00 54.79 52.63 1bhw n ASP 300 Cb 0.55 -0.11 0.76 0.00 -1.14 0.00 0.00 41.12 41.18 1bhw n ASP 300 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 1bhw h TYR 301 N 0.27 0.00 -0.23 2.11 0.05 -1.99 -0.87 116.97 116.31 1bhw h TYR 301 Ca -0.13 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.61 1bhw h TYR 301 Cb 0.54 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.27 1bhw h TYR 301 CO 0.00 0.00 -0.02 -0.44 -1.05 0.00 0.00 178.16 176.65 1bhw h ASP 302 N 0.00 0.41 -0.15 3.88 3.32 -2.00 -2.56 116.42 119.31 1bhw h ASP 302 Ca 0.04 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 1bhw h ASP 302 Cb 0.17 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1bhw h ASP 302 CO -0.00 0.64 0.02 1.23 -1.72 0.00 0.00 179.24 179.41 1bhw h GLY 303 N 0.17 0.39 0.95 2.75 0.00 -1.61 -2.23 103.07 103.48 1bhw h GLY 303 Ca 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1bhw h GLY 303 CO 0.02 0.19 -0.01 -2.08 0.00 0.00 0.00 176.54 174.65 1bhw h VAL 304 N 0.36 1.01 -0.05 4.60 2.07 -0.80 0.33 116.25 123.77 1bhw h VAL 304 Ca 0.08 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 1bhw h VAL 304 Cb 0.21 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1bhw h VAL 304 CO 0.00 0.03 -0.50 -0.50 0.02 0.00 0.00 177.57 176.62 1bhw h TRP 305 N -0.09 0.15 -0.23 1.57 4.06 -1.32 -1.89 115.95 118.19 1bhw h TRP 305 Ca -0.00 -0.05 -0.03 0.00 2.06 0.00 0.00 58.89 60.87 1bhw h TRP 305 Cb 0.08 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.21 1bhw h TRP 305 CO -0.06 0.60 0.04 0.93 -3.56 0.00 0.00 178.44 176.39 1bhw h GLU 306 N 0.10 0.37 -0.16 0.49 4.39 -1.28 -0.94 114.58 117.54 1bhw h GLU 306 Ca 0.00 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 1bhw h GLU 306 Cb 0.92 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 1bhw h GLU 306 CO 0.07 0.50 -0.23 0.66 -1.16 0.00 0.00 179.01 178.85 1bhw h SER 307 N 0.18 0.29 -0.14 1.42 4.64 -0.63 -0.23 113.55 119.08 1bhw h SER 307 Ca 0.07 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 1bhw h SER 307 Cb 0.31 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1bhw h SER 307 CO 0.00 0.53 -0.09 0.00 -0.87 0.00 0.00 176.83 176.41 1bhw h ALA 308 N 1.50 0.19 -0.78 5.18 0.00 -1.07 -2.95 119.26 121.33 1bhw h ALA 308 Ca 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1bhw h ALA 308 Cb 0.56 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1bhw h ALA 308 CO 0.04 0.01 0.36 0.87 0.00 0.00 0.00 179.25 180.52 1bhw h LYS 309 N -0.06 1.13 -0.74 0.00 1.57 -1.01 -2.88 116.57 114.59 1bhw h LYS 309 Ca 0.03 -0.17 0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1bhw h LYS 309 Cb 0.57 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1bhw h LYS 309 CO 0.02 0.89 0.48 0.00 -0.57 0.00 0.00 179.45 180.28 1bhw h ALA 310 N 1.27 1.78 -0.20 3.86 0.00 -0.88 -1.96 119.26 123.13 1bhw h ALA 310 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1bhw h ALA 310 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1bhw h ALA 310 CO -0.03 0.07 0.11 -0.91 0.00 0.00 0.00 179.25 178.49 1bhw h ASN 311 N 0.68 0.26 -0.38 0.00 2.35 -1.36 0.41 115.58 117.55 1bhw h ASN 311 Ca 0.33 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.90 1bhw h ASN 311 Cb 0.40 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1bhw h ASN 311 CO -0.12 0.27 -0.13 0.40 -1.65 0.00 0.00 177.43 176.21 1bhw h ILE 312 N 0.22 1.28 -0.04 2.81 2.04 -1.54 -1.97 117.51 120.31 1bhw h ILE 312 Ca 0.07 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.69 1bhw h ILE 312 Cb 0.08 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1bhw h ILE 312 CO -0.01 0.41 0.02 0.03 0.00 0.00 0.00 178.15 178.60 1bhw h ARG 313 N 0.56 0.05 -0.36 2.37 3.08 -1.27 -1.61 114.38 117.20 1bhw h ARG 313 Ca 0.09 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.20 1bhw h ARG 313 Cb 0.66 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.64 1bhw h ARG 313 CO 0.05 0.11 -0.01 0.52 -1.07 0.00 0.00 179.97 179.57 1bhw h MET 314 N -0.01 0.09 -0.43 0.04 2.86 -0.85 -0.32 114.93 116.31 1bhw h MET 314 Ca 0.01 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1bhw h MET 314 Cb 0.07 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1bhw h MET 314 CO -0.00 0.06 0.24 -0.92 1.06 0.00 0.00 176.91 177.34 1bhw h TYR 315 N 0.09 0.60 -0.39 -0.22 5.03 -1.02 -2.43 116.97 118.63 1bhw h TYR 315 Ca 0.18 -0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.39 1bhw h TYR 315 Cb 0.25 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 1bhw h TYR 315 CO -0.26 0.46 -0.07 -0.07 -1.32 0.00 0.00 178.16 176.89 1bhw h LEU 316 N 0.57 0.75 -0.14 2.82 3.38 -0.82 -1.19 115.31 120.67 1bhw h LEU 316 Ca 0.15 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1bhw h LEU 316 Cb 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1bhw h LEU 316 CO -0.02 0.92 0.07 -0.07 0.09 0.00 0.00 178.44 179.43 1bhw h LEU 317 N 0.56 0.10 -0.86 1.67 3.38 -1.05 -1.71 115.31 117.39 1bhw h LEU 317 Ca 0.10 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1bhw h LEU 317 Cb 0.59 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1bhw h LEU 317 CO 0.03 0.08 0.31 -0.07 0.09 0.00 0.00 178.44 178.88 1bhw h LEU 318 N 0.15 1.05 -0.54 1.67 3.38 -1.39 -2.42 115.31 117.20 1bhw h LEU 318 Ca 0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1bhw h LEU 318 Cb 0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1bhw h LEU 318 CO -0.04 0.93 0.25 0.50 0.09 0.00 0.00 178.44 180.17 1bhw h LYS 319 N 1.11 0.79 -0.23 1.13 3.64 -0.91 0.23 116.57 122.33 1bhw h LYS 319 Ca 0.26 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1bhw h LYS 319 Cb 0.21 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1bhw h LYS 319 CO -0.02 0.66 0.10 1.49 -2.27 0.00 0.00 179.45 179.41 1bhw h GLU 320 N 0.73 0.21 -0.21 1.90 4.81 -1.16 -0.73 114.58 120.13 1bhw h GLU 320 Ca 0.19 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1bhw h GLU 320 Cb 0.14 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1bhw h GLU 320 CO -0.02 0.14 -0.37 0.00 -0.73 0.00 0.00 179.01 178.03 1bhw h ARG 321 N 0.22 0.46 -0.48 1.92 3.08 -1.30 -1.96 114.38 116.33 1bhw h ARG 321 Ca 0.10 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.82 1bhw h ARG 321 Cb 0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1bhw h ARG 321 CO -0.08 0.76 -0.13 0.00 -1.07 0.00 0.00 179.97 179.46 1bhw h ALA 322 N 1.22 0.66 -0.25 0.04 0.00 -0.58 -0.63 119.26 119.72 1bhw h ALA 322 Ca 0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1bhw h ALA 322 Cb 0.82 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1bhw h ALA 322 CO 0.07 0.58 0.09 0.87 0.00 0.00 0.00 179.25 180.85 1bhw h LYS 323 N 0.78 0.37 -0.60 0.00 6.56 -0.90 -2.83 116.57 119.94 1bhw h LYS 323 Ca 0.12 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.60 1bhw h LYS 323 Cb 0.68 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.26 1bhw h LYS 323 CO 0.05 0.43 0.24 0.00 -2.06 0.00 0.00 179.45 178.11 1bhw h ALA 324 N 0.93 1.30 -0.00 3.86 0.00 -1.28 -2.33 119.26 121.73 1bhw h ALA 324 Ca 0.08 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1bhw h ALA 324 Cb 0.20 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1bhw h ALA 324 CO -0.01 0.52 -0.22 0.35 0.00 0.00 0.00 179.25 179.90 1bhw h PHE 325 N 0.86 -0.59 0.00 0.00 3.57 -0.88 -2.72 116.94 117.18 1bhw h PHE 325 Ca 0.21 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.64 1bhw h PHE 325 Cb 0.16 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1bhw h PHE 325 CO 0.01 -0.31 -0.42 0.00 -2.23 0.00 0.00 178.31 175.36 1bhw h ARG 326 N -0.35 0.00 -0.11 1.11 2.47 -1.37 -2.94 114.38 113.18 1bhw h ARG 326 Ca 0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1bhw h ARG 326 Cb 0.43 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 1bhw h ARG 326 CO -0.21 0.42 0.00 0.00 0.56 0.00 0.00 179.97 180.74 1bhw n ALA 327 N -2.37 2.55 -2.67 0.04 0.00 -0.89 -4.74 120.51 112.43 1bhw n ALA 327 Ca -0.01 -0.38 -0.39 0.00 0.00 0.00 0.00 53.44 52.66 1bhw n ALA 327 Cb 0.49 -1.16 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 1bhw n ALA 327 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bhw s ASP 328 N -1.55 6.58 0.41 0.00 -1.08 -1.05 -4.89 116.67 115.10 1bhw s ASP 328 Ca 0.30 0.70 0.14 0.00 -0.52 0.00 0.00 52.55 53.17 1bhw s ASP 328 Cb 0.15 -2.30 0.88 0.00 -1.46 0.00 0.00 42.92 40.20 1bhw s ASP 328 CO 0.24 -0.17 1.91 1.55 0.52 0.00 0.00 175.17 179.22 1bhw h PRO 329 N 7.39 0.00 -0.21 4.34 0.14 -1.87 0.83 132.00 142.62 1bhw h PRO 329 Ca -0.34 0.00 -0.18 0.00 0.14 0.00 0.00 66.00 65.62 1bhw h PRO 329 Cb 1.16 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.29 1bhw h PRO 329 CO 0.74 0.27 -0.59 0.93 0.14 0.00 0.00 178.00 179.50 1bhw h GLU 330 N 0.00 0.68 -0.56 0.86 5.08 -1.92 -1.70 114.58 117.02 1bhw h GLU 330 Ca -0.00 -0.45 -0.07 0.00 -1.00 0.00 0.00 59.36 57.84 1bhw h GLU 330 Cb 0.49 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1bhw h GLU 330 CO 0.04 1.07 0.09 0.28 -1.00 0.00 0.00 179.01 179.49 1bhw h VAL 331 N 0.51 1.25 -0.76 3.13 2.07 -1.37 -1.48 116.25 119.61 1bhw h VAL 331 Ca 0.00 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.57 1bhw h VAL 331 Cb 1.16 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1bhw h VAL 331 CO 0.12 0.35 0.50 1.56 0.02 0.00 0.00 177.57 180.12 1bhw h GLN 332 N 0.82 0.97 -0.71 1.57 1.08 0.79 0.22 115.11 119.86 1bhw h GLN 332 Ca 0.17 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.25 1bhw h GLN 332 Cb 0.41 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 1bhw h GLN 332 CO 0.01 0.64 0.22 1.49 -0.95 0.00 0.00 178.83 180.24 1bhw h GLU 333 N 1.00 1.10 -0.33 1.46 4.81 -1.13 -0.82 114.58 120.68 1bhw h GLU 333 Ca 0.29 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1bhw h GLU 333 Cb -0.07 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 1bhw h GLU 333 CO -0.08 0.94 -0.12 0.00 -0.73 0.00 0.00 179.01 179.02 1bhw h ALA 334 N 1.18 0.45 -0.63 2.92 0.00 -0.36 -1.66 119.26 121.16 1bhw h ALA 334 Ca 0.23 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1bhw h ALA 334 Cb 0.30 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1bhw h ALA 334 CO -0.01 0.33 0.33 -0.07 0.00 0.00 0.00 179.25 179.83 1bhw h LEU 335 N 0.43 0.47 -0.42 0.00 3.38 -0.31 0.27 115.31 119.13 1bhw h LEU 335 Ca 0.08 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1bhw h LEU 335 Cb 0.64 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1bhw h LEU 335 CO 0.04 0.30 0.14 0.00 0.09 0.00 0.00 178.44 179.02 1bhw h ALA 336 N 1.35 0.55 -0.63 1.53 0.00 -0.98 -1.01 119.26 120.06 1bhw h ALA 336 Ca 0.29 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1bhw h ALA 336 Cb 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1bhw h ALA 336 CO -0.20 0.18 0.22 0.00 0.00 0.00 0.00 179.25 179.46 1bhw h ALA 337 N 0.99 1.20 -0.00 0.00 0.00 -0.81 -2.43 119.26 118.21 1bhw h ALA 337 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bhw h ALA 337 Cb 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1bhw h ALA 337 CO -0.01 0.57 -0.05 0.43 0.00 0.00 0.00 179.25 180.20 1bhw n SER 338 N -4.29 0.14 -2.91 0.00 7.64 0.92 -4.79 113.62 110.33 1bhw n SER 338 Ca 0.05 -0.18 -0.22 0.00 1.01 0.00 0.00 58.87 59.53 1bhw n SER 338 Cb 0.19 -0.23 0.03 0.00 -1.01 0.00 0.00 64.21 63.19 1bhw n SER 338 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bhw n LYS 339 N -1.24 -4.51 -0.15 1.43 5.02 -0.41 -4.93 118.16 113.37 1bhw n LYS 339 Ca 0.13 0.92 -0.06 0.00 -2.02 0.00 0.00 58.31 57.28 1bhw n LYS 339 Cb 0.27 -5.74 0.03 0.00 -0.02 0.00 0.00 35.03 29.57 1bhw n LYS 339 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1bhw h VAL 340 N -1.23 0.99 0.00 -0.18 2.07 -1.77 -2.76 116.25 113.37 1bhw h VAL 340 Ca -0.52 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1bhw h VAL 340 Cb 1.36 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1bhw h VAL 340 CO 0.57 0.09 -0.29 0.00 0.02 0.00 0.00 177.57 177.96 1bhw h ALA 341 N 1.23 1.09 0.00 1.67 0.00 -1.92 -2.93 119.26 118.40 1bhw h ALA 341 Ca 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1bhw h ALA 341 Cb 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1bhw h ALA 341 CO -0.12 0.36 0.00 -1.91 0.00 0.00 0.00 179.25 177.58 1bhw n GLU 342 N -3.57 0.15 0.17 0.00 2.13 -1.04 -1.34 120.64 117.14 1bhw n GLU 342 Ca -0.01 0.50 0.05 0.00 0.66 0.00 0.00 57.16 58.36 1bhw n GLU 342 Cb 0.43 -1.86 0.22 0.00 0.27 0.00 0.00 31.44 30.50 1bhw n GLU 342 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1bhw h LEU 343 N 0.00 0.00 -0.29 4.31 5.85 -1.63 -3.12 115.31 120.42 1bhw h LEU 343 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1bhw h LEU 343 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1bhw h LEU 343 CO 0.00 0.42 0.00 0.29 -0.34 0.00 0.00 178.44 178.81 1bhw n LYS 344 N -3.39 0.11 -3.17 1.25 5.02 -0.45 -4.67 118.16 112.86 1bhw n LYS 344 Ca 0.01 0.29 -0.39 0.00 -2.02 0.00 0.00 58.31 56.19 1bhw n LYS 344 Cb 0.60 -1.69 -0.06 0.00 -0.02 0.00 0.00 35.03 33.86 1bhw n LYS 344 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1bhw s THR 345 N -3.14 5.08 0.60 -0.18 2.01 -1.18 -5.03 115.64 113.79 1bhw s THR 345 Ca 0.07 1.16 -0.18 0.00 0.31 0.00 0.00 61.69 63.05 1bhw s THR 345 Cb 0.11 -3.92 -0.08 0.00 0.01 0.00 0.00 72.50 68.62 1bhw s THR 345 CO 0.39 0.21 0.55 -2.65 -0.69 0.00 0.00 174.62 172.43 1bhw n PRO 346 N 4.31 0.50 0.09 4.92 -0.02 -1.26 -4.88 135.00 138.65 1bhw n PRO 346 Ca -0.03 0.20 -0.14 0.00 -2.02 0.00 0.00 63.50 61.50 1bhw n PRO 346 Cb 0.51 -1.75 -0.09 0.00 -0.02 0.00 0.00 33.50 32.15 1bhw n PRO 346 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1bhw h THR 347 N 0.14 1.45 -3.16 3.45 2.02 -1.95 -3.44 112.91 111.41 1bhw h THR 347 Ca -0.46 -2.74 -0.58 0.00 0.77 0.00 0.00 66.41 63.40 1bhw h THR 347 Cb 1.39 2.67 -0.04 0.00 -1.74 0.00 0.00 68.15 70.43 1bhw h THR 347 CO 0.46 0.81 -0.27 -0.76 0.37 0.00 0.00 175.52 176.13 1bhw s LEU 348 N -7.45 4.29 0.66 2.58 1.43 -1.26 -5.07 118.68 113.85 1bhw s LEU 348 Ca -0.05 0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 53.61 1bhw s LEU 348 Cb 0.08 -3.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.07 1bhw s LEU 348 CO 0.87 0.09 1.06 0.20 0.23 0.00 0.00 176.35 178.80 1bhw s ASN 349 N -2.18 5.54 0.18 2.29 0.01 -1.26 -4.92 114.94 114.60 1bhw s ASN 349 Ca 0.39 1.68 -0.32 0.00 -0.71 0.00 0.00 52.86 53.89 1bhw s ASN 349 Cb -0.13 -2.51 -0.12 0.00 0.41 0.00 0.00 41.25 38.90 1bhw s ASN 349 CO 0.22 -1.33 1.72 -2.65 -1.51 0.00 0.00 177.10 173.55 1bhw n PRO 350 N -2.73 2.67 -0.22 -0.60 -0.02 -1.26 -0.71 135.00 132.13 1bhw n PRO 350 Ca 0.08 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 1bhw n PRO 350 Cb 0.53 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1bhw n PRO 350 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bhw n GLY 351 N 3.93 1.92 3.75 -1.23 0.00 -1.26 -5.00 105.19 107.30 1bhw n GLY 351 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1bhw n GLY 351 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bhw s GLU 352 N -0.06 4.65 0.00 1.61 2.12 0.12 -5.03 118.70 122.10 1bhw s GLU 352 Ca 0.00 1.76 0.00 0.00 0.36 0.00 0.00 54.97 57.09 1bhw s GLU 352 Cb 0.00 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.17 1bhw s GLU 352 CO 0.00 0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.33 1bhw n GLY 353 N 1.42 4.55 0.23 -1.50 0.00 -1.26 -4.74 105.19 103.89 1bhw n GLY 353 Ca -0.00 -2.06 0.02 0.00 0.00 0.00 0.00 46.02 43.98 1bhw n GLY 353 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1bhw h TYR 354 N 0.87 0.18 -0.39 1.61 -0.00 -1.99 -0.67 116.97 116.59 1bhw h TYR 354 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 58.73 58.69 1bhw h TYR 354 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 36.73 36.66 1bhw h TYR 354 CO 0.00 0.36 0.18 0.00 -0.00 0.00 0.00 178.16 178.70 1bhw h ALA 355 N 1.65 0.50 -0.25 0.10 0.00 -1.99 0.35 119.26 119.62 1bhw h ALA 355 Ca 0.03 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 1bhw h ALA 355 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1bhw h ALA 355 CO 0.03 0.06 -0.61 0.93 0.00 0.00 0.00 179.25 179.67 1bhw h GLU 356 N 0.48 0.85 -0.60 0.00 3.07 -1.90 -2.88 114.58 113.60 1bhw h GLU 356 Ca 0.13 -0.58 -0.00 0.00 -0.50 0.00 0.00 59.36 58.41 1bhw h GLU 356 Cb 0.13 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 1bhw h GLU 356 CO -0.02 1.21 0.38 1.25 -1.40 0.00 0.00 179.01 180.43 1bhw h LEU 357 N 0.62 0.72 -2.21 1.33 5.85 -0.85 -1.97 115.31 118.79 1bhw h LEU 357 Ca -0.01 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1bhw h LEU 357 Cb 1.22 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1bhw h LEU 357 CO 0.13 0.55 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.66 1bhw h LEU 358 N 0.82 0.00 0.00 2.25 3.38 -0.27 -2.22 115.31 119.27 1bhw h LEU 358 Ca 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1bhw h LEU 358 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1bhw h LEU 358 CO -0.04 0.05 -0.41 0.00 0.09 0.00 0.00 178.44 178.13 1bhw h ALA 359 N 1.95 0.80 -1.62 1.53 0.00 -1.15 -3.44 119.26 117.32 1bhw h ALA 359 Ca -0.00 -0.21 -0.59 0.00 0.00 0.00 0.00 54.91 54.11 1bhw h ALA 359 Cb 0.14 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.82 1bhw h ALA 359 CO 0.01 0.27 0.75 0.34 0.00 0.00 0.00 179.25 180.62 1bhw s ASP 360 N -6.13 6.28 0.16 0.00 -1.08 -0.84 -4.89 116.67 110.17 1bhw s ASP 360 Ca 0.04 -0.45 0.24 0.00 -0.52 0.00 0.00 52.55 51.86 1bhw s ASP 360 Cb 0.07 -2.48 0.91 0.00 -1.46 0.00 0.00 42.92 39.95 1bhw s ASP 360 CO 0.72 -1.47 1.72 0.54 0.52 0.00 0.00 175.17 177.20 1bhw n ARG 361 N 8.16 0.15 0.19 4.34 1.74 -1.26 -1.96 116.66 128.02 1bhw n ARG 361 Ca 0.02 0.27 0.13 0.00 -0.77 0.00 0.00 57.85 57.50 1bhw n ARG 361 Cb 0.48 -1.73 0.36 0.00 -1.02 0.00 0.00 32.46 30.55 1bhw n ARG 361 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1bhw h SER 362 N 0.00 0.00 0.39 0.55 4.64 -1.90 1.20 113.55 118.43 1bhw h SER 362 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bhw h SER 362 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1bhw h SER 362 CO 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 176.83 175.66 1bhw n ALA 363 N -1.98 3.14 0.04 5.18 0.00 -0.83 -4.18 120.51 121.88 1bhw n ALA 363 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1bhw n ALA 363 Cb 0.43 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1bhw n ALA 363 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bhw n PHE 364 N -1.03 -2.82 -0.19 0.00 7.35 -1.10 -4.85 117.46 114.82 1bhw n PHE 364 Ca 0.10 0.25 0.00 0.00 -0.76 0.00 0.00 57.45 57.05 1bhw n PHE 364 Cb 0.33 1.05 0.10 0.00 0.35 0.00 0.00 39.48 41.31 1bhw n PHE 364 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1bhw h GLU 365 N 0.00 0.28 -0.50 -4.13 3.07 -1.66 -1.60 114.58 110.05 1bhw h GLU 365 Ca 0.00 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.77 1bhw h GLU 365 Cb 0.00 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 27.80 1bhw h GLU 365 CO 0.00 0.19 0.07 -0.25 -1.40 0.00 0.00 179.01 177.61 1bhw n ASP 366 N -5.09 4.64 -4.70 1.42 8.00 0.41 -4.97 116.55 116.26 1bhw n ASP 366 Ca 0.08 -3.11 -0.42 0.00 0.71 0.00 0.00 54.79 52.06 1bhw n ASP 366 Cb 0.30 -0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 1bhw n ASP 366 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1bhw s TYR 367 N -2.89 3.56 -1.04 1.24 5.04 -0.60 -4.81 117.35 117.84 1bhw s TYR 367 Ca 0.50 1.51 -0.13 0.00 -2.44 0.00 0.00 57.07 56.51 1bhw s TYR 367 Cb 0.40 -3.07 0.21 0.00 0.35 0.00 0.00 41.96 39.85 1bhw s TYR 367 CO 0.12 -0.10 1.12 0.34 -1.34 0.00 0.00 175.55 175.69 1bhw s ASP 368 N 1.03 7.01 0.25 4.32 2.15 -1.26 -4.86 116.67 125.30 1bhw s ASP 368 Ca 0.46 -2.95 -0.03 0.00 0.43 0.00 0.00 52.55 50.45 1bhw s ASP 368 Cb -0.19 -2.29 0.44 0.00 -0.30 0.00 0.00 42.92 40.58 1bhw s ASP 368 CO 0.20 -0.61 1.80 0.00 -0.17 0.00 0.00 175.17 176.39 1bhw h ALA 369 N 7.44 1.23 -0.73 3.66 0.00 -1.95 -2.50 119.26 126.40 1bhw h ALA 369 Ca 0.20 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1bhw h ALA 369 Cb 0.94 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1bhw h ALA 369 CO 1.03 0.07 0.44 -0.44 0.00 0.00 0.00 179.25 180.35 1bhw h ASP 370 N 0.78 0.88 -0.23 0.00 3.32 -1.98 0.82 116.42 120.01 1bhw h ASP 370 Ca 0.42 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.29 1bhw h ASP 370 Cb 0.43 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1bhw h ASP 370 CO -0.27 0.69 -0.28 0.00 -1.72 0.00 0.00 179.24 177.66 1bhw h ALA 371 N 1.23 0.35 -0.28 3.45 0.00 -1.88 -3.05 119.26 119.08 1bhw h ALA 371 Ca 0.26 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1bhw h ALA 371 Cb -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1bhw h ALA 371 CO -0.05 0.35 0.08 0.28 0.00 0.00 0.00 179.25 179.91 1bhw h VAL 372 N 0.30 1.21 -0.32 0.00 2.07 -1.36 -3.03 116.25 115.12 1bhw h VAL 372 Ca 0.03 -0.68 0.09 0.00 0.82 0.00 0.00 66.70 66.96 1bhw h VAL 372 Cb 0.85 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1bhw h VAL 372 CO 0.07 0.22 0.40 1.23 0.02 0.00 0.00 177.57 179.51 1bhw h GLY 373 N 0.29 0.00 1.03 2.17 0.00 -0.81 -1.52 103.07 104.23 1bhw h GLY 373 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1bhw h GLY 373 CO -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 176.54 176.04 1bhw n ALA 374 N -2.27 3.49 -2.21 3.60 0.00 -1.14 -4.90 120.51 117.08 1bhw n ALA 374 Ca 0.05 -0.34 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 1bhw n ALA 374 Cb 0.54 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 1bhw n ALA 374 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1bhw s LYS 375 N -3.01 4.64 0.46 0.00 1.02 -0.57 -5.05 119.74 117.23 1bhw s LYS 375 Ca 0.11 1.57 -0.13 0.00 0.02 0.00 0.00 55.97 57.53 1bhw s LYS 375 Cb 0.17 -3.34 -0.07 0.00 -0.52 0.00 0.00 37.83 34.07 1bhw s LYS 375 CO 0.70 0.13 0.87 0.20 -0.92 0.00 0.00 175.35 176.33 1bhw s GLY 376 N 0.04 1.98 0.00 -3.33 0.00 -1.26 -5.01 107.32 99.73 1bhw s GLY 376 Ca 0.49 -0.04 0.22 0.00 0.00 0.00 0.00 44.72 45.38 1bhw s GLY 376 CO 0.32 0.19 0.92 0.69 0.00 0.00 0.00 173.10 175.21 1bhw n PHE 377 N -1.49 0.02 -1.98 1.90 3.01 -1.26 -5.00 117.46 112.66 1bhw n PHE 377 Ca 0.04 0.01 -0.14 0.00 1.01 0.00 0.00 57.45 58.37 1bhw n PHE 377 Cb 0.54 -0.12 -0.02 0.00 -0.01 0.00 0.00 39.48 39.87 1bhw n PHE 377 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bhw n GLY 378 N 1.46 0.34 0.28 1.37 0.00 -1.26 -3.72 105.19 103.66 1bhw n GLY 378 Ca 0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 1bhw n GLY 378 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1bhw h PHE 379 N 0.00 0.92 -0.40 1.61 0.04 -1.95 -2.76 116.94 114.40 1bhw h PHE 379 Ca -0.32 -0.16 -0.02 0.00 2.80 0.00 0.00 57.97 60.27 1bhw h PHE 379 Cb 1.13 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 39.03 1bhw h PHE 379 CO 0.38 0.88 0.17 0.28 -0.60 0.00 0.00 178.31 179.42 1bhw h VAL 380 N 0.77 1.19 -0.55 -0.55 2.07 -1.99 -0.45 116.25 116.74 1bhw h VAL 380 Ca 0.13 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1bhw h VAL 380 Cb 0.56 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1bhw h VAL 380 CO 0.03 0.21 0.35 0.50 0.02 0.00 0.00 177.57 178.68 1bhw h LYS 381 N 0.51 0.74 -0.50 1.57 3.64 -1.96 0.37 116.57 120.94 1bhw h LYS 381 Ca 0.14 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1bhw h LYS 381 Cb 0.16 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1bhw h LYS 381 CO -0.01 0.52 0.33 1.25 -2.27 0.00 0.00 179.45 179.26 1bhw h LEU 382 N 0.74 0.57 -0.98 5.20 5.85 -1.17 -2.02 115.31 123.50 1bhw h LEU 382 Ca 0.20 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1bhw h LEU 382 Cb -0.04 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1bhw h LEU 382 CO -0.04 0.41 0.18 -1.13 -0.34 0.00 0.00 178.44 177.52 1bhw h ASN 383 N 0.67 0.86 -0.57 1.25 -1.24 -0.74 -2.13 115.58 113.68 1bhw h ASN 383 Ca 0.18 -0.15 -0.04 0.00 0.71 0.00 0.00 56.30 57.01 1bhw h ASN 383 Cb -0.07 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.73 1bhw h ASN 383 CO -0.04 0.81 0.21 -0.61 -1.29 0.00 0.00 177.43 176.51 1bhw h GLN 384 N 0.89 0.86 -0.63 6.67 5.75 -0.48 -1.87 115.11 126.30 1bhw h GLN 384 Ca 0.20 -0.17 -0.08 0.00 -0.15 0.00 0.00 58.65 58.45 1bhw h GLN 384 Cb 0.27 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 1bhw h GLN 384 CO -0.01 0.76 0.09 -0.07 -2.65 0.00 0.00 178.83 176.95 1bhw h LEU 385 N 0.78 0.99 0.07 -2.39 3.38 -1.02 -0.54 115.31 116.58 1bhw h LEU 385 Ca 0.19 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1bhw h LEU 385 Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1bhw h LEU 385 CO -0.01 0.99 -0.08 0.00 0.09 0.00 0.00 178.44 179.42 1bhw h ALA 386 N 1.12 -0.15 -0.29 1.53 0.00 -1.17 -0.63 119.26 119.67 1bhw h ALA 386 Ca 0.19 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1bhw h ALA 386 Cb 0.43 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1bhw h ALA 386 CO 0.01 -0.60 -0.14 0.82 0.00 0.00 0.00 179.25 179.34 1bhw h ILE 387 N -0.18 1.24 -0.11 0.00 2.04 -1.17 -1.58 117.51 117.75 1bhw h ILE 387 Ca 0.01 -1.06 -0.08 0.00 1.00 0.00 0.00 64.86 64.73 1bhw h ILE 387 Cb 0.18 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1bhw h ILE 387 CO -0.03 0.35 -0.30 -0.33 0.00 0.00 0.00 178.15 177.84 1bhw h GLU 388 N 0.47 0.20 -0.22 2.37 5.08 -0.71 0.31 114.58 122.08 1bhw h GLU 388 Ca 0.08 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1bhw h GLU 388 Cb 0.52 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1bhw h GLU 388 CO 0.03 0.49 -0.16 0.45 -1.00 0.00 0.00 179.01 178.81 1bhw h HIS 389 N 0.18 0.58 -0.87 4.33 3.86 -0.57 -0.69 115.15 121.97 1bhw h HIS 389 Ca 0.03 -0.16 0.02 0.00 -1.16 0.00 0.00 60.37 59.09 1bhw h HIS 389 Cb 0.62 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 1bhw h HIS 389 CO 0.01 0.81 0.57 1.25 0.86 0.00 0.00 177.93 181.43 1bhw h LEU 390 N 0.18 0.98 0.00 2.43 5.85 -0.76 -1.70 115.31 122.29 1bhw h LEU 390 Ca 0.04 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1bhw h LEU 390 Cb 0.69 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1bhw h LEU 390 CO 0.04 0.70 0.00 0.18 -0.34 0.00 0.00 178.44 179.02 1bhw n LEU 391 N -4.41 0.00 -1.37 2.25 4.77 0.05 -4.90 117.00 113.38 1bhw n LEU 391 Ca 0.10 0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 56.45 1bhw n LEU 391 Cb 0.04 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1bhw n LEU 391 CO 0.36 -0.10 -0.14 0.61 -1.33 0.00 0.00 177.39 176.79 1bhw n GLY 392 N 0.86 -0.11 0.01 -0.72 0.00 -0.64 -4.89 105.19 99.69 1bhw n GLY 392 Ca 0.06 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.81 1bhw n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bhw n ALA 393 N -1.64 3.97 -0.72 4.61 0.00 -0.31 -5.04 120.51 121.38 1bhw n ALA 393 Ca -0.14 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1bhw n ALA 393 Cb 0.60 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1bhw n ALA 393 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04