#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w44 s ILE 2 N 0.00 5.23 0.02 3.17 -4.36 -1.26 -5.11 121.20 118.90 1w44 s ILE 2 Ca 0.00 -0.40 0.04 0.00 -0.26 0.00 0.00 60.65 60.03 1w44 s ILE 2 Cb 0.00 -3.72 -0.02 0.00 1.25 0.00 0.00 42.46 39.97 1w44 s ILE 2 CO 0.00 -0.13 -0.13 -1.00 0.24 0.00 0.00 174.94 173.92 1w44 s HIS 3 N -1.82 1.15 -0.08 1.37 3.76 -1.26 -4.78 115.29 113.62 1w44 s HIS 3 Ca 0.38 -0.30 -0.03 0.00 -0.15 0.00 0.00 55.06 54.96 1w44 s HIS 3 Cb -0.11 -0.70 -0.04 0.00 1.11 0.00 0.00 32.58 32.84 1w44 s HIS 3 CO 0.29 0.01 0.04 -0.51 -0.85 0.00 0.00 174.74 173.72 1w44 s LEU 4 N -0.84 3.80 0.04 0.89 1.43 -1.26 -5.12 118.68 117.62 1w44 s LEU 4 Ca 0.02 0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1w44 s LEU 4 Cb -0.07 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1w44 s LEU 4 CO 0.01 0.37 -0.04 -0.31 0.23 0.00 0.00 176.35 176.61 1w44 s TYR 5 N -0.96 0.47 0.44 0.29 2.02 -1.26 -4.97 117.35 113.39 1w44 s TYR 5 Ca 0.15 -0.82 0.03 0.00 -0.37 0.00 0.00 57.07 56.06 1w44 s TYR 5 Cb -0.12 -0.33 -0.02 0.00 -0.40 0.00 0.00 41.96 41.10 1w44 s TYR 5 CO 0.04 -0.27 0.10 0.16 -1.57 0.00 0.00 175.55 174.01 1w44 s ASP 6 N -2.30 3.19 0.26 2.29 1.47 -1.26 -4.94 116.67 115.38 1w44 s ASP 6 Ca -0.02 -1.69 -0.01 0.00 1.18 0.00 0.00 52.55 52.01 1w44 s ASP 6 Cb -0.00 0.54 0.54 0.00 -0.34 0.00 0.00 42.92 43.66 1w44 s ASP 6 CO -0.05 -0.93 1.75 0.00 0.68 0.00 0.00 175.17 176.61 1w44 h ALA 7 N 1.65 1.25 0.10 2.11 0.00 -2.01 -0.47 119.26 121.88 1w44 h ALA 7 Ca -0.37 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1w44 h ALA 7 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1w44 h ALA 7 CO 0.61 -0.15 -0.05 0.87 0.00 0.00 0.00 179.25 180.53 1w44 h LYS 8 N 0.55 -0.13 -0.08 0.00 1.57 -2.00 -1.98 116.57 114.51 1w44 h LYS 8 Ca 0.46 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 59.17 1w44 h LYS 8 Cb 0.70 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1w44 h LYS 8 CO -0.39 0.20 -0.32 0.66 -0.57 0.00 0.00 179.45 179.03 1w44 h SER 9 N -0.47 0.16 -0.44 0.86 4.64 -1.91 -2.47 113.55 113.92 1w44 h SER 9 Ca -0.01 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.16 1w44 h SER 9 Cb 0.39 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1w44 h SER 9 CO 0.02 0.48 -0.07 0.15 -0.87 0.00 0.00 176.83 176.54 1w44 h PHE 10 N 0.14 0.91 -0.56 4.77 3.57 -1.05 -1.69 116.94 123.03 1w44 h PHE 10 Ca 0.02 -0.18 -0.06 0.00 3.53 0.00 0.00 57.97 61.28 1w44 h PHE 10 Cb 0.65 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1w44 h PHE 10 CO 0.01 0.91 0.11 0.00 -2.23 0.00 0.00 178.31 177.11 1w44 h ALA 11 N 0.87 1.15 -0.57 2.41 0.00 -1.15 -1.19 119.26 120.79 1w44 h ALA 11 Ca 0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1w44 h ALA 11 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1w44 h ALA 11 CO 0.04 0.57 0.07 0.87 0.00 0.00 0.00 179.25 180.80 1w44 h LYS 12 N 0.84 0.93 -0.27 0.00 1.57 -1.27 -1.82 116.57 116.55 1w44 h LYS 12 Ca 0.18 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1w44 h LYS 12 Cb 0.33 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1w44 h LYS 12 CO 0.00 0.88 0.10 1.25 -0.57 0.00 0.00 179.45 181.11 1w44 h LEU 13 N 0.88 0.38 -1.23 2.94 5.85 -0.70 -1.31 115.31 122.11 1w44 h LEU 13 Ca 0.18 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1w44 h LEU 13 Cb 0.41 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1w44 h LEU 13 CO 0.01 0.45 0.02 0.03 -0.34 0.00 0.00 178.44 178.62 1w44 h ARG 14 N 0.29 0.55 -0.64 1.25 2.47 -1.07 -0.42 114.38 116.80 1w44 h ARG 14 Ca 0.09 -0.11 -0.08 0.00 -1.26 0.00 0.00 59.98 58.62 1w44 h ARG 14 Cb 0.20 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.41 1w44 h ARG 14 CO -0.01 0.56 0.11 0.00 0.56 0.00 0.00 179.97 181.19 1w44 h ALA 15 N 1.50 0.85 -0.32 0.04 0.00 -1.02 -0.37 119.26 119.95 1w44 h ALA 15 Ca 0.12 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1w44 h ALA 15 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1w44 h ALA 15 CO 0.01 0.61 -0.38 0.00 0.00 0.00 0.00 179.25 179.49 1w44 h ALA 16 N 1.04 0.73 -0.26 0.00 0.00 -0.60 -1.26 119.26 118.90 1w44 h ALA 16 Ca 0.20 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1w44 h ALA 16 Cb 0.43 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1w44 h ALA 16 CO 0.01 0.66 -0.07 1.96 0.00 0.00 0.00 179.25 181.81 1w44 h GLN 17 N 0.62 0.51 -0.65 0.00 4.20 -0.94 -1.05 115.11 117.80 1w44 h GLN 17 Ca 0.05 -0.20 0.08 0.00 0.06 0.00 0.00 58.65 58.64 1w44 h GLN 17 Cb 0.93 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.62 1w44 h GLN 17 CO 0.08 0.73 0.32 -0.92 -0.67 0.00 0.00 178.83 178.38 1w44 h TYR 18 N 0.25 0.58 -0.34 2.96 5.03 -0.97 -2.42 116.97 122.06 1w44 h TYR 18 Ca 0.06 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.30 1w44 h TYR 18 Cb 0.55 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.66 1w44 h TYR 18 CO 0.05 0.23 -0.23 0.00 -1.32 0.00 0.00 178.16 176.90 1w44 h ALA 19 N 1.38 0.97 -0.28 1.82 0.00 -1.01 -0.56 119.26 121.59 1w44 h ALA 19 Ca 0.31 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1w44 h ALA 19 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1w44 h ALA 19 CO -0.24 0.60 0.22 0.00 0.00 0.00 0.00 179.25 179.83 1w44 h ALA 20 N 1.17 2.15 0.00 0.00 0.00 -0.68 -0.28 119.26 121.63 1w44 h ALA 20 Ca 0.08 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.61 1w44 h ALA 20 Cb 0.70 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1w44 h ALA 20 CO 0.05 -0.36 -2.23 0.34 0.00 0.00 0.00 179.25 177.05 1w44 n PHE 21 N -4.25 0.04 0.10 0.00 7.35 -1.10 -1.32 117.46 118.28 1w44 n PHE 21 Ca 0.04 0.02 -0.05 0.00 -0.76 0.00 0.00 57.45 56.69 1w44 n PHE 21 Cb 0.38 -0.92 0.05 0.00 0.35 0.00 0.00 39.48 39.34 1w44 n PHE 21 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1w44 h HIS 22 N -1.00 0.13 0.00 -5.13 3.86 -1.06 -3.41 115.15 108.54 1w44 h HIS 22 Ca -0.57 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 58.57 1w44 h HIS 22 Cb 1.50 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.95 1w44 h HIS 22 CO -0.14 0.83 -0.51 0.25 0.86 0.00 0.00 177.93 179.22 1w44 n THR 23 N -3.67 0.00 -1.05 2.45 -2.24 -0.69 -5.04 114.28 104.04 1w44 n THR 23 Ca -0.02 -0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.39 1w44 n THR 23 Cb 0.75 0.38 0.13 0.00 -2.10 0.00 0.00 70.33 69.49 1w44 n THR 23 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1w44 n ASP 24 N -0.84 0.89 -4.74 3.42 9.92 -0.20 -4.90 116.55 120.10 1w44 n ASP 24 Ca 0.00 0.56 -0.41 0.00 -0.53 0.00 0.00 54.79 54.41 1w44 n ASP 24 Cb 0.00 -1.50 -0.02 0.00 -0.64 0.00 0.00 41.12 38.96 1w44 n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1w44 s ALA 25 N -2.19 3.65 0.17 2.24 0.00 -1.26 -4.91 121.76 119.46 1w44 s ALA 25 Ca 0.72 1.35 -0.34 0.00 0.00 0.00 0.00 51.96 53.70 1w44 s ALA 25 Cb -0.28 -3.57 -0.14 0.00 0.00 0.00 0.00 23.12 19.13 1w44 s ALA 25 CO 0.52 -0.76 1.51 -2.30 0.00 0.00 0.00 175.76 174.72 1w44 n PRO 26 N 2.47 1.99 -0.93 0.00 -0.02 -1.26 -1.29 135.00 135.97 1w44 n PRO 26 Ca 0.07 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1w44 n PRO 26 Cb 0.40 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1w44 n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w44 n GLY 27 N 3.02 0.87 0.23 -1.23 0.00 -0.41 -4.82 105.19 102.85 1w44 n GLY 27 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1w44 n GLY 27 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1w44 h SER 28 N 0.00 0.40 -0.57 1.61 4.64 -1.40 -2.99 113.55 115.25 1w44 h SER 28 Ca 0.00 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.14 1w44 h SER 28 Cb 0.00 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1w44 h SER 28 CO 0.00 0.68 0.18 -0.25 -0.87 0.00 0.00 176.83 176.58 1w44 h TRP 29 N 0.35 0.91 -0.82 4.77 2.91 -1.83 -1.51 115.95 120.73 1w44 h TRP 29 Ca 0.05 -0.09 0.07 0.00 1.13 0.00 0.00 58.89 60.05 1w44 h TRP 29 Cb 0.69 -0.27 -0.06 0.00 -0.51 0.00 0.00 29.16 29.01 1w44 h TRP 29 CO 0.02 0.76 0.49 0.35 -1.03 0.00 0.00 178.44 179.03 1w44 h PHE 30 N 0.80 0.90 -0.46 2.65 3.57 -1.65 -0.44 116.94 122.31 1w44 h PHE 30 Ca 0.19 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 1w44 h PHE 30 Cb 0.27 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1w44 h PHE 30 CO 0.02 0.43 0.00 -0.44 -2.23 0.00 0.00 178.31 176.09 1w44 h ASP 31 N 0.88 0.72 0.00 0.41 3.45 -1.30 -0.85 116.42 119.73 1w44 h ASP 31 Ca 0.37 -0.17 -0.00 0.00 0.43 0.00 0.00 57.03 57.66 1w44 h ASP 31 Cb 0.22 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1w44 h ASP 31 CO -0.19 0.79 -0.00 -0.74 -1.57 0.00 0.00 179.24 177.52 1w44 h HIS 32 N 0.71 -0.00 -0.08 4.55 2.76 -0.19 -2.65 115.15 120.25 1w44 h HIS 32 Ca 0.14 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 1w44 h HIS 32 Cb 0.43 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 1w44 h HIS 32 CO 0.02 0.24 -0.16 1.79 -1.30 0.00 0.00 177.93 178.52 1w44 h THR 33 N -0.24 1.16 -0.61 6.26 1.35 -1.01 -0.45 112.91 119.37 1w44 h THR 33 Ca -0.00 -0.72 -0.02 0.00 -0.55 0.00 0.00 66.41 65.12 1w44 h THR 33 Cb 0.24 1.28 -0.03 0.00 -1.73 0.00 0.00 68.15 67.91 1w44 h THR 33 CO 0.00 0.22 0.31 0.28 -0.25 0.00 0.00 175.52 176.08 1w44 h SER 34 N 0.12 0.76 -0.33 5.36 0.02 -0.98 -0.14 113.55 118.35 1w44 h SER 34 Ca 0.02 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 1w44 h SER 34 Cb 0.36 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1w44 h SER 34 CO 0.02 0.63 -0.28 1.23 -1.14 0.00 0.00 176.83 177.29 1w44 h GLY 35 N 0.92 0.84 0.94 -3.77 0.00 -0.76 -1.13 103.07 100.11 1w44 h GLY 35 Ca 0.21 -0.83 0.01 0.00 0.00 0.00 0.00 47.33 46.73 1w44 h GLY 35 CO -0.03 0.75 0.18 -2.08 0.00 0.00 0.00 176.54 175.35 1w44 h VAL 36 N 0.54 1.03 -0.63 4.60 2.07 -0.95 -2.15 116.25 120.76 1w44 h VAL 36 Ca 0.06 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1w44 h VAL 36 Cb 0.85 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1w44 h VAL 36 CO 0.07 0.07 0.26 -0.07 0.02 0.00 0.00 177.57 177.92 1w44 h LEU 37 N 0.36 0.87 -1.31 2.57 3.38 -0.92 -2.75 115.31 117.51 1w44 h LEU 37 Ca 0.12 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1w44 h LEU 37 Cb -0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1w44 h LEU 37 CO -0.05 0.79 -0.13 1.05 0.09 0.00 0.00 178.44 180.19 1w44 h GLU 38 N 0.89 0.00 -0.08 1.13 4.11 -1.01 -2.67 114.58 116.95 1w44 h GLU 38 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 1w44 h GLU 38 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1w44 h GLU 38 CO -0.02 0.13 0.00 -1.13 0.07 0.00 0.00 179.01 178.06 1w44 n SER 39 N -3.30 0.91 -4.76 3.06 3.41 -0.83 -4.85 113.62 107.27 1w44 n SER 39 Ca 0.00 -1.53 -0.39 0.00 -0.26 0.00 0.00 58.87 56.69 1w44 n SER 39 Cb 0.37 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 1w44 n SER 39 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1w44 s VAL 40 N -1.91 3.60 0.52 -3.33 1.01 -1.01 -4.99 120.40 114.29 1w44 s VAL 40 Ca 0.33 1.52 -0.23 0.00 0.00 0.00 0.00 61.98 63.60 1w44 s VAL 40 Cb 0.16 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 1w44 s VAL 40 CO 0.26 0.30 1.39 -0.62 0.00 0.00 0.00 175.10 176.43 1w44 n GLU 41 N 0.94 1.86 -1.85 2.72 1.02 -1.26 -4.92 120.64 119.16 1w44 n GLU 41 Ca 0.00 0.68 -0.38 0.00 -0.02 0.00 0.00 57.16 57.44 1w44 n GLU 41 Cb 0.46 -2.61 0.04 0.00 -0.02 0.00 0.00 31.44 29.31 1w44 n GLU 41 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1w44 s ASP 42 N -0.79 5.19 0.00 1.62 1.01 -1.26 -2.40 116.67 120.04 1w44 s ASP 42 Ca 0.69 2.65 0.00 0.00 0.71 0.00 0.00 52.55 56.59 1w44 s ASP 42 Cb -0.42 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 40.88 1w44 s ASP 42 CO 0.51 -1.62 0.00 0.61 0.21 0.00 0.00 175.17 174.89 1w44 n GLY 43 N 0.71 2.97 3.70 0.21 0.00 -1.26 -5.00 105.19 106.53 1w44 n GLY 43 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1w44 n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w44 s THR 44 N -2.97 4.06 0.15 2.61 2.01 -1.01 -4.97 115.64 115.52 1w44 s THR 44 Ca 0.00 1.46 -0.31 0.00 0.31 0.00 0.00 61.69 63.14 1w44 s THR 44 Cb 0.00 -3.93 -0.10 0.00 0.01 0.00 0.00 72.50 68.47 1w44 s THR 44 CO 0.00 0.07 1.65 -2.84 -0.69 0.00 0.00 174.62 172.81 1w44 s PRO 45 N 1.48 4.18 -0.00 4.92 0.02 -1.26 -4.23 135.00 140.11 1w44 s PRO 45 Ca 0.58 2.44 0.04 0.00 0.02 0.00 0.00 61.00 64.08 1w44 s PRO 45 Cb -0.28 -3.26 -0.06 0.00 0.02 0.00 0.00 34.50 30.92 1w44 s PRO 45 CO 0.27 -0.69 0.08 1.33 -0.33 0.00 0.00 177.00 177.66 1w44 n VAL 46 N 4.19 0.00 -3.75 3.83 0.24 0.42 -4.52 118.33 118.74 1w44 n VAL 46 Ca 0.15 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 62.23 1w44 n VAL 46 Cb 0.38 0.45 -0.12 0.00 -1.47 0.00 0.00 33.84 33.08 1w44 n VAL 46 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1w44 s LEU 47 N -3.20 0.65 -0.05 1.34 2.96 -1.10 -0.03 118.68 119.25 1w44 s LEU 47 Ca -0.01 0.58 0.05 0.00 -0.22 0.00 0.00 54.13 54.53 1w44 s LEU 47 Cb 0.02 0.90 -0.01 0.00 0.50 0.00 0.00 46.19 47.61 1w44 s LEU 47 CO 0.15 -0.13 -0.21 0.00 -1.32 0.00 0.00 176.35 174.84 1w44 s ALA 48 N 0.69 1.81 -0.00 5.97 0.00 -0.48 -0.96 121.76 128.79 1w44 s ALA 48 Ca -0.04 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1w44 s ALA 48 Cb -0.06 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.49 1w44 s ALA 48 CO -0.04 0.35 -0.04 -1.50 0.00 0.00 0.00 175.76 174.53 1w44 s ILE 49 N -0.11 0.35 0.23 0.00 2.07 -0.52 -0.85 121.20 122.36 1w44 s ILE 49 Ca -0.02 -0.24 -0.30 0.00 -1.41 0.00 0.00 60.65 58.68 1w44 s ILE 49 Cb -0.12 -0.31 -0.09 0.00 0.13 0.00 0.00 42.46 42.08 1w44 s ILE 49 CO 0.02 0.06 1.14 -0.83 -1.91 0.00 0.00 174.94 173.42 1w44 s GLY 50 N -0.20 2.91 0.66 1.50 0.00 -1.26 -1.32 107.32 109.60 1w44 s GLY 50 Ca 0.01 0.91 0.03 0.00 0.00 0.00 0.00 44.72 45.67 1w44 s GLY 50 CO -0.00 1.65 0.90 -1.34 0.00 0.00 0.00 173.10 174.32 1w44 s VAL 51 N -0.65 2.21 0.25 1.40 -7.23 0.75 -4.86 120.40 112.27 1w44 s VAL 51 Ca 0.48 -0.73 -0.08 0.00 -1.81 0.00 0.00 61.98 59.84 1w44 s VAL 51 Cb -0.32 -2.49 0.30 0.00 0.56 0.00 0.00 36.38 34.44 1w44 s VAL 51 CO 0.39 0.00 1.62 -0.08 -0.31 0.00 0.00 175.10 176.72 1w44 h GLU 52 N -0.24 0.05 0.00 4.82 4.81 -1.88 0.18 114.58 122.32 1w44 h GLU 52 Ca -0.35 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1w44 h GLU 52 Cb 1.28 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1w44 h GLU 52 CO 0.41 0.03 -0.02 0.66 -0.73 0.00 0.00 179.01 179.37 1w44 h SER 53 N 0.05 0.00 0.00 1.04 4.64 -1.96 -2.05 113.55 115.28 1w44 h SER 53 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1w44 h SER 53 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1w44 h SER 53 CO -0.73 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 175.86 1w44 n GLY 54 N -0.70 0.81 3.64 -0.77 0.00 0.05 -4.72 105.19 103.50 1w44 n GLY 54 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1w44 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w44 s ASP 55 N -1.94 1.50 0.04 1.61 -0.00 -1.26 -4.70 116.67 111.92 1w44 s ASP 55 Ca 0.00 0.73 0.03 0.00 -0.00 0.00 0.00 52.55 53.31 1w44 s ASP 55 Cb 0.00 -1.06 -0.02 0.00 -0.00 0.00 0.00 42.92 41.84 1w44 s ASP 55 CO 0.00 -3.78 -0.11 0.00 -0.00 0.00 0.00 175.17 171.29 1w44 s ALA 56 N -3.07 0.85 0.14 5.23 0.00 -1.26 -0.18 121.76 123.47 1w44 s ALA 56 Ca 0.70 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.96 1w44 s ALA 56 Cb -0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1w44 s ALA 56 CO 0.56 0.11 0.07 0.96 0.00 0.00 0.00 175.76 177.46 1w44 s ILE 57 N -1.01 4.24 -0.02 0.00 -4.36 -0.43 -1.61 121.20 118.00 1w44 s ILE 57 Ca -0.03 -1.10 0.06 0.00 -0.26 0.00 0.00 60.65 59.31 1w44 s ILE 57 Cb -0.08 -3.12 -0.01 0.00 1.25 0.00 0.00 42.46 40.50 1w44 s ILE 57 CO 0.01 -0.04 -0.19 -0.69 0.24 0.00 0.00 174.94 174.27 1w44 s VAL 58 N -1.62 1.55 0.17 8.37 1.01 -1.26 -1.45 120.40 127.17 1w44 s VAL 58 Ca 0.29 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.55 1w44 s VAL 58 Cb -0.10 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1w44 s VAL 58 CO 0.21 0.44 -0.24 -0.36 0.00 0.00 0.00 175.10 175.16 1w44 s PHE 59 N -0.34 2.19 0.69 5.22 0.40 -0.13 -0.64 117.98 125.36 1w44 s PHE 59 Ca 0.05 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.03 1w44 s PHE 59 Cb -0.09 -1.12 0.13 0.00 0.51 0.00 0.00 43.02 42.45 1w44 s PHE 59 CO 0.00 0.41 0.95 0.16 0.70 0.00 0.00 175.22 177.44 1w44 s ASP 60 N -2.47 4.51 0.49 1.36 1.47 -0.46 -0.43 116.67 121.14 1w44 s ASP 60 Ca 0.17 -0.64 0.33 0.00 1.18 0.00 0.00 52.55 53.59 1w44 s ASP 60 Cb -0.08 0.28 1.79 0.00 -0.34 0.00 0.00 42.92 44.57 1w44 s ASP 60 CO 0.08 -1.77 2.01 0.07 0.68 0.00 0.00 175.17 176.24 1w44 h LYS 61 N -0.33 0.00 -0.65 2.11 2.10 -1.90 -1.04 116.57 116.86 1w44 h LYS 61 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1w44 h LYS 61 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1w44 h LYS 61 CO 0.38 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.92 1w44 n ASN 62 N -2.66 4.72 -2.90 7.07 5.03 -1.26 -4.92 115.26 120.34 1w44 n ASN 62 Ca -0.02 -2.49 -0.20 0.00 0.87 0.00 0.00 54.58 52.74 1w44 n ASN 62 Cb 0.06 -0.59 0.05 0.00 -1.02 0.00 0.00 39.78 38.28 1w44 n ASN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1w44 n ALA 63 N 1.02 -0.98 -2.60 5.41 0.00 -0.39 -5.01 120.51 117.95 1w44 n ALA 63 Ca 0.25 0.30 -0.33 0.00 0.00 0.00 0.00 53.44 53.66 1w44 n ALA 63 Cb 0.90 -4.14 -0.13 0.00 0.00 0.00 0.00 19.45 16.08 1w44 n ALA 63 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1w44 s GLN 64 N -5.83 2.71 0.42 0.00 -1.52 -1.26 -4.90 119.66 109.28 1w44 s GLN 64 Ca 0.38 -0.66 -0.25 0.00 -1.95 0.00 0.00 55.36 52.88 1w44 s GLN 64 Cb -0.17 -2.47 -0.08 0.00 -0.22 0.00 0.00 33.01 30.07 1w44 s GLN 64 CO 0.47 0.56 1.23 1.03 -0.25 0.00 0.00 175.29 178.33 1w44 s ARG 65 N -0.55 3.89 -0.26 2.91 0.52 -1.26 -1.35 118.95 122.84 1w44 s ARG 65 Ca 0.08 1.96 -0.09 0.00 -0.52 0.00 0.00 55.73 57.17 1w44 s ARG 65 Cb -0.12 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 1w44 s ARG 65 CO 0.02 -0.49 0.12 0.42 0.02 0.00 0.00 175.30 175.38 1w44 s ILE 66 N -1.38 4.68 -0.13 1.52 1.01 0.18 -4.87 121.20 122.23 1w44 s ILE 66 Ca 0.59 -0.05 0.18 0.00 0.00 0.00 0.00 60.65 61.38 1w44 s ILE 66 Cb -0.34 -3.21 -0.20 0.00 0.01 0.00 0.00 42.46 38.72 1w44 s ILE 66 CO 0.42 0.30 0.58 1.33 0.00 0.00 0.00 174.94 177.57 1w44 n VAL 67 N 4.98 0.96 -3.77 2.92 0.24 -1.26 -4.56 118.33 117.84 1w44 n VAL 67 Ca -0.15 -0.69 -0.13 0.00 -2.04 0.00 0.00 64.34 61.33 1w44 n VAL 67 Cb 0.52 -0.50 -0.14 0.00 -1.47 0.00 0.00 33.84 32.25 1w44 n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1w44 s ALA 68 N -2.96 -0.35 -0.28 2.33 0.00 -1.26 -0.70 121.76 118.54 1w44 s ALA 68 Ca -0.06 0.63 -0.08 0.00 0.00 0.00 0.00 51.96 52.45 1w44 s ALA 68 Cb 0.09 -0.40 0.13 0.00 0.00 0.00 0.00 23.12 22.94 1w44 s ALA 68 CO 0.84 -0.13 0.60 -0.47 0.00 0.00 0.00 175.76 176.59 1w44 s TYR 69 N 0.77 -1.29 0.35 0.00 6.14 0.47 -4.90 117.35 118.89 1w44 s TYR 69 Ca -0.06 2.08 -0.27 0.00 0.64 0.00 0.00 57.07 59.46 1w44 s TYR 69 Cb -0.07 0.67 -0.09 0.00 0.42 0.00 0.00 41.96 42.89 1w44 s TYR 69 CO -0.04 -0.67 1.16 0.15 0.64 0.00 0.00 175.55 176.78 1w44 s LYS 70 N 2.84 4.30 0.08 4.97 1.02 -1.26 -0.98 119.74 130.71 1w44 s LYS 70 Ca -0.01 1.85 -0.25 0.00 0.02 0.00 0.00 55.97 57.58 1w44 s LYS 70 Cb -0.13 -2.89 -0.14 0.00 -0.52 0.00 0.00 37.83 34.16 1w44 s LYS 70 CO -0.18 -0.11 0.58 -1.91 -0.92 0.00 0.00 175.35 172.81 1w44 n GLU 71 N 0.53 0.00 -3.66 1.68 2.13 -1.26 -4.77 120.64 115.30 1w44 n GLU 71 Ca 0.02 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.76 1w44 n GLU 71 Cb 0.45 -0.92 -0.09 0.00 0.27 0.00 0.00 31.44 31.16 1w44 n GLU 71 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1w44 s LYS 72 N -0.39 0.39 0.03 5.31 2.36 -0.63 -4.99 119.74 121.83 1w44 s LYS 72 Ca 0.57 1.05 0.01 0.00 -2.55 0.00 0.00 55.97 55.05 1w44 s LYS 72 Cb -0.81 0.32 -0.04 0.00 -1.05 0.00 0.00 37.83 36.25 1w44 s LYS 72 CO 0.42 -0.22 0.07 -1.12 1.55 0.00 0.00 175.35 176.05 1w44 s SER 73 N 2.33 5.57 -0.02 1.43 0.01 -1.26 -1.61 113.70 120.15 1w44 s SER 73 Ca -0.04 0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.29 1w44 s SER 73 Cb -0.11 -1.55 0.02 0.00 0.21 0.00 0.00 66.02 64.59 1w44 s SER 73 CO -0.14 0.23 -0.01 -0.69 0.41 0.00 0.00 173.24 173.04 1w44 s VAL 74 N -1.27 0.21 -0.16 3.43 1.01 -0.04 -4.98 120.40 118.61 1w44 s VAL 74 Ca 0.25 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 1w44 s VAL 74 Cb -0.12 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.95 1w44 s VAL 74 CO 0.17 0.13 0.26 -0.75 0.00 0.00 0.00 175.10 174.90 1w44 s LYS 75 N 0.70 4.17 0.69 2.72 2.20 -1.26 -0.75 119.74 128.21 1w44 s LYS 75 Ca -0.07 0.04 -0.05 0.00 -0.36 0.00 0.00 55.97 55.53 1w44 s LYS 75 Cb -0.10 -3.40 0.07 0.00 -1.51 0.00 0.00 37.83 32.89 1w44 s LYS 75 CO -0.01 0.31 0.98 0.00 -0.36 0.00 0.00 175.35 176.26 1w44 s ALA 76 N 0.27 3.34 0.21 3.13 0.00 0.56 -4.97 121.76 124.30 1w44 s ALA 76 Ca 0.15 -1.13 -0.09 0.00 0.00 0.00 0.00 51.96 50.89 1w44 s ALA 76 Cb -0.13 -2.42 0.23 0.00 0.00 0.00 0.00 23.12 20.80 1w44 s ALA 76 CO 0.03 -1.26 1.84 1.49 0.00 0.00 0.00 175.76 177.86 1w44 h GLU 77 N -0.50 0.82 0.00 0.00 4.81 -1.98 -1.90 114.58 115.82 1w44 h GLU 77 Ca -0.43 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1w44 h GLU 77 Cb 1.30 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1w44 h GLU 77 CO 0.55 0.54 0.00 -0.40 -0.73 0.00 0.00 179.01 178.97 1w44 n ASP 78 N -4.68 0.00 0.00 1.04 3.85 -1.26 -4.87 116.55 110.62 1w44 n ASP 78 Ca 0.09 -0.05 0.00 0.00 -0.71 0.00 0.00 54.79 54.11 1w44 n ASP 78 Cb 0.12 -0.28 0.00 0.00 -1.35 0.00 0.00 41.12 39.61 1w44 n ASP 78 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1w44 n GLY 79 N 0.61 1.48 3.77 6.12 0.00 -0.72 -4.97 105.19 111.49 1w44 n GLY 79 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1w44 n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w44 s SER 80 N -1.66 5.28 -0.09 1.61 1.04 -1.26 -4.68 113.70 113.94 1w44 s SER 80 Ca 0.00 2.04 0.04 0.00 0.48 0.00 0.00 55.95 58.51 1w44 s SER 80 Cb 0.00 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.55 1w44 s SER 80 CO 0.00 -1.52 -0.21 -0.69 0.98 0.00 0.00 173.24 171.80 1w44 s VAL 81 N -2.19 2.35 -0.22 5.02 1.01 -1.26 -0.33 120.40 124.79 1w44 s VAL 81 Ca 0.68 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 1w44 s VAL 81 Cb -0.21 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1w44 s VAL 81 CO 0.38 0.56 0.04 -0.55 0.00 0.00 0.00 175.10 175.53 1w44 s SER 82 N 0.10 5.14 -0.19 3.32 0.15 0.07 -4.94 113.70 117.36 1w44 s SER 82 Ca -0.10 -0.14 -0.00 0.00 0.70 0.00 0.00 55.95 56.41 1w44 s SER 82 Cb -0.16 -1.90 0.01 0.00 -1.71 0.00 0.00 66.02 62.26 1w44 s SER 82 CO 0.06 0.05 -0.15 -0.69 1.20 0.00 0.00 173.24 173.71 1w44 s VAL 83 N 1.10 2.51 -0.09 4.45 1.01 -1.26 -0.86 120.40 127.27 1w44 s VAL 83 Ca 0.04 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1w44 s VAL 83 Cb -0.14 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1w44 s VAL 83 CO 0.03 0.50 -0.14 -0.69 0.00 0.00 0.00 175.10 174.80 1w44 s VAL 84 N 1.26 3.02 -0.20 2.92 1.01 -0.63 -2.00 120.40 125.78 1w44 s VAL 84 Ca 0.03 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 1w44 s VAL 84 Cb -0.14 -2.22 0.07 0.00 0.00 0.00 0.00 36.38 34.09 1w44 s VAL 84 CO -0.08 0.56 0.46 -1.58 0.00 0.00 0.00 175.10 174.46 1w44 s GLN 85 N -0.22 0.43 -0.09 2.72 0.74 0.15 -1.60 119.66 121.79 1w44 s GLN 85 Ca 0.01 0.92 0.04 0.00 0.05 0.00 0.00 55.36 56.38 1w44 s GLN 85 Cb -0.13 0.09 -0.00 0.00 1.10 0.00 0.00 33.01 34.07 1w44 s GLN 85 CO 0.03 -0.18 -0.23 0.08 -0.55 0.00 0.00 175.29 174.44 1w44 s VAL 86 N 1.71 2.14 -0.02 1.34 1.01 -0.15 0.53 120.40 126.95 1w44 s VAL 86 Ca -0.08 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 60.90 1w44 s VAL 86 Cb -0.09 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.51 1w44 s VAL 86 CO -0.14 0.56 0.04 -0.70 0.00 0.00 0.00 175.10 174.86 1w44 s GLU 87 N 0.24 -0.02 -1.51 2.72 2.12 -0.05 -0.39 118.70 121.80 1w44 s GLU 87 Ca -0.15 0.18 -0.13 0.00 0.36 0.00 0.00 54.97 55.23 1w44 s GLU 87 Cb -0.17 -0.21 0.07 0.00 0.26 0.00 0.00 34.13 34.08 1w44 s GLU 87 CO 0.08 -0.15 1.00 0.09 -0.54 0.00 0.00 175.26 175.74 1w44 n ASN 88 N 4.06 -5.09 0.00 -1.70 4.13 -1.04 -1.66 115.26 113.96 1w44 n ASN 88 Ca -0.26 -0.73 0.00 0.00 1.68 0.00 0.00 54.58 55.27 1w44 n ASN 88 Cb 0.51 -4.05 0.00 0.00 -1.54 0.00 0.00 39.78 34.71 1w44 n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1w44 n GLY 89 N -1.73 1.48 3.24 7.41 0.00 0.12 -5.02 105.19 110.69 1w44 n GLY 89 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1w44 n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1w44 s PHE 90 N -3.60 1.51 0.05 1.61 0.40 -0.66 -4.62 117.98 112.66 1w44 s PHE 90 Ca 0.00 -0.47 -0.31 0.00 -0.60 0.00 0.00 56.93 55.56 1w44 s PHE 90 Cb 0.00 -0.82 -0.07 0.00 0.51 0.00 0.00 43.02 42.64 1w44 s PHE 90 CO 0.00 0.15 1.57 1.41 0.70 0.00 0.00 175.22 179.05 1w44 s MET 91 N -2.10 4.22 -0.20 0.44 -2.45 -0.64 -0.87 119.30 117.70 1w44 s MET 91 Ca 0.05 2.21 0.14 0.00 -1.25 0.00 0.00 55.69 56.84 1w44 s MET 91 Cb -0.08 -3.59 -0.23 0.00 1.25 0.00 0.00 34.83 32.18 1w44 s MET 91 CO 0.03 -0.68 0.04 1.17 1.05 0.00 0.00 175.02 176.63 1w44 n LYS 92 N 5.51 0.68 -3.78 4.11 3.00 0.19 -4.75 118.16 123.11 1w44 n LYS 92 Ca 0.15 0.05 -0.13 0.00 -0.00 0.00 0.00 58.31 58.38 1w44 n LYS 92 Cb 0.41 -1.54 -0.13 0.00 0.00 0.00 0.00 35.03 33.78 1w44 n LYS 92 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1w44 s GLN 93 N -2.50 0.18 0.00 1.64 -0.21 -0.74 -4.93 119.66 113.09 1w44 s GLN 93 Ca -0.16 0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.56 1w44 s GLN 93 Cb 0.07 -0.02 0.00 0.00 1.00 0.00 0.00 33.01 34.06 1w44 s GLN 93 CO 0.78 -0.09 0.00 0.41 -2.12 0.00 0.00 175.29 174.27 1w44 n GLY 94 N 3.55 0.82 3.18 3.09 0.00 -0.85 -0.67 105.19 114.31 1w44 n GLY 94 Ca -0.19 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 1w44 n GLY 94 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1w44 s HIS 95 N -2.96 0.63 0.54 1.61 -3.43 -1.26 -5.02 115.29 105.39 1w44 s HIS 95 Ca 0.00 -1.05 -0.18 0.00 -0.80 0.00 0.00 55.06 53.04 1w44 s HIS 95 Cb 0.00 -0.34 -0.06 0.00 -1.43 0.00 0.00 32.58 30.75 1w44 s HIS 95 CO 0.00 -0.53 1.04 1.03 -2.00 0.00 0.00 174.74 174.28 1w44 s ARG 96 N -3.99 3.60 0.00 -0.38 0.52 -1.26 -4.58 118.95 112.86 1w44 s ARG 96 Ca 0.17 1.23 0.00 0.00 -0.52 0.00 0.00 55.73 56.60 1w44 s ARG 96 Cb 0.07 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.46 1w44 s ARG 96 CO -0.03 -0.59 0.00 0.41 0.02 0.00 0.00 175.30 175.12 1w44 n GLY 97 N -0.79 -0.95 3.69 -3.53 0.00 -0.03 -4.91 105.19 98.67 1w44 n GLY 97 Ca 0.09 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1w44 n GLY 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1w44 s TRP 98 N 0.00 3.15 -0.98 1.61 0.52 -1.26 -1.39 118.94 120.59 1w44 s TRP 98 Ca 0.00 1.13 0.26 0.00 0.02 0.00 0.00 56.10 57.51 1w44 s TRP 98 Cb 0.00 -3.48 0.65 0.00 -1.15 0.00 0.00 33.47 29.49 1w44 s TRP 98 CO 0.00 -1.59 1.52 1.28 0.02 0.00 0.00 176.95 178.18 1w44 n LEU 99 N 5.03 0.41 -4.36 2.99 4.77 0.95 -4.76 117.00 122.03 1w44 n LEU 99 Ca 0.11 0.12 -0.30 0.00 -0.03 0.00 0.00 56.01 55.91 1w44 n LEU 99 Cb 0.46 -0.30 -0.14 0.00 -2.33 0.00 0.00 43.42 41.10 1w44 n LEU 99 CO 0.56 0.09 -0.56 0.68 -1.33 0.00 0.00 177.39 176.82 1w44 s VAL 100 N -3.01 2.20 -0.28 4.08 -7.23 -1.24 -4.93 120.40 109.99 1w44 s VAL 100 Ca 0.11 -1.39 -0.29 0.00 -1.81 0.00 0.00 61.98 58.60 1w44 s VAL 100 Cb 0.18 -1.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 1w44 s VAL 100 CO 0.66 0.35 1.62 -0.62 -0.31 0.00 0.00 175.10 176.81 1w44 s ASP 101 N -1.29 6.26 0.00 4.85 2.15 -1.26 -4.86 116.67 122.51 1w44 s ASP 101 Ca 0.12 1.41 0.21 0.00 0.43 0.00 0.00 52.55 54.72 1w44 s ASP 101 Cb -0.10 -2.53 -0.16 0.00 -0.30 0.00 0.00 42.92 39.83 1w44 s ASP 101 CO 0.02 -1.39 0.96 0.18 -0.17 0.00 0.00 175.17 174.77 1w44 n LEU 102 N 8.94 1.26 -0.02 -1.34 4.77 -1.26 -4.67 117.00 124.69 1w44 n LEU 102 Ca 0.19 -0.56 -0.02 0.00 -0.03 0.00 0.00 56.01 55.59 1w44 n LEU 102 Cb 0.46 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1w44 n LEU 102 CO 0.66 0.28 -0.61 0.35 -1.33 0.00 0.00 177.39 176.74 1w44 n THR 103 N -1.11 0.23 -1.77 -5.08 -2.24 -1.26 -4.88 114.28 98.17 1w44 n THR 103 Ca 0.05 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1w44 n THR 103 Cb 0.37 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1w44 n THR 103 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w44 n GLY 104 N 2.95 2.68 0.01 3.38 0.00 -1.26 -2.07 105.19 110.87 1w44 n GLY 104 Ca -0.06 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.76 1w44 n GLY 104 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1w44 n GLU 105 N 13.54 0.02 -3.09 1.61 1.02 -1.26 -4.56 120.64 127.92 1w44 n GLU 105 Ca 0.00 0.04 -0.45 0.00 -0.02 0.00 0.00 57.16 56.73 1w44 n GLU 105 Cb 0.00 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 29.88 1w44 n GLU 105 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1w44 s LEU 106 N -3.09 5.69 0.33 -4.62 2.96 -0.88 -4.99 118.68 114.08 1w44 s LEU 106 Ca 0.13 -2.20 0.06 0.00 -0.22 0.00 0.00 54.13 51.90 1w44 s LEU 106 Cb 0.18 -2.32 -0.07 0.00 0.50 0.00 0.00 46.19 44.48 1w44 s LEU 106 CO 0.51 -0.90 -0.00 0.68 -1.32 0.00 0.00 176.35 175.32 1w44 s VAL 107 N 1.80 1.60 -0.56 1.68 -7.23 -1.26 -4.75 120.40 111.69 1w44 s VAL 107 Ca 0.25 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1w44 s VAL 107 Cb -0.09 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1w44 s VAL 107 CO -0.08 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 1w44 n GLY 108 N -0.72 0.61 3.95 2.32 0.00 -1.26 -4.93 105.19 105.16 1w44 n GLY 108 Ca -0.04 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 1w44 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w44 n SER 110 N -1.57 2.44 -4.65 0.00 7.64 -1.26 -4.85 113.62 111.37 1w44 n SER 110 Ca -0.01 -3.15 -0.54 0.00 1.01 0.00 0.00 58.87 56.19 1w44 n SER 110 Cb 0.58 -0.67 -0.06 0.00 -1.01 0.00 0.00 64.21 63.06 1w44 n SER 110 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1w44 n PRO 111 N 1.25 1.28 -1.68 1.43 -0.02 -1.26 -4.31 135.00 131.70 1w44 n PRO 111 Ca 0.26 0.46 -0.47 0.00 -2.02 0.00 0.00 63.50 61.74 1w44 n PRO 111 Cb 0.44 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 1w44 n PRO 111 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1w44 n VAL 112 N 3.64 0.40 -0.03 -1.45 3.14 -0.44 -1.42 118.33 122.17 1w44 n VAL 112 Ca 0.22 -0.07 -0.08 0.00 -2.96 0.00 0.00 64.34 61.45 1w44 n VAL 112 Cb 0.18 -1.79 -0.14 0.00 -1.06 0.00 0.00 33.84 31.02 1w44 n VAL 112 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1w44 n VAL 113 N 4.61 1.53 -3.62 1.55 3.14 0.21 -1.29 118.33 124.46 1w44 n VAL 113 Ca 0.21 -0.79 -0.04 0.00 -2.96 0.00 0.00 64.34 60.76 1w44 n VAL 113 Cb 0.30 -0.92 -0.01 0.00 -1.06 0.00 0.00 33.84 32.15 1w44 n VAL 113 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1w44 s ALA 114 N -2.62 -1.95 -0.05 1.55 0.00 -1.21 -2.92 121.76 114.57 1w44 s ALA 114 Ca -0.05 0.83 0.03 0.00 0.00 0.00 0.00 51.96 52.77 1w44 s ALA 114 Cb 0.08 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.54 1w44 s ALA 114 CO 0.83 -0.86 -0.12 -2.00 0.00 0.00 0.00 175.76 173.61 1w44 s GLU 115 N -2.81 1.50 -0.19 0.00 2.12 -1.26 -0.75 118.70 117.31 1w44 s GLU 115 Ca 0.10 -0.42 -0.16 0.00 0.36 0.00 0.00 54.97 54.85 1w44 s GLU 115 Cb 0.00 -1.29 0.05 0.00 0.26 0.00 0.00 34.13 33.15 1w44 s GLU 115 CO -0.04 0.10 0.49 0.12 -0.54 0.00 0.00 175.26 175.39 1w44 s PHE 116 N 0.41 -0.57 -1.84 5.30 5.36 -0.18 -4.91 117.98 121.54 1w44 s PHE 116 Ca -0.09 1.35 0.00 0.00 -0.96 0.00 0.00 56.93 57.23 1w44 s PHE 116 Cb -0.13 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.77 1w44 s PHE 116 CO 0.02 -0.28 0.00 0.41 -1.46 0.00 0.00 175.22 173.91 1w44 n GLY 117 N 3.11 0.64 1.55 13.12 0.00 -1.26 -1.58 105.19 120.76 1w44 n GLY 117 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1w44 n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w44 n GLY 118 N -0.67 0.59 3.17 -0.02 0.00 -1.26 -4.80 105.19 102.20 1w44 n GLY 118 Ca -0.21 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 1w44 n GLY 118 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1w44 s HIS 119 N -2.00 1.46 0.08 1.61 3.76 -0.62 -5.13 115.29 114.46 1w44 s HIS 119 Ca 0.00 -0.32 -0.17 0.00 -0.15 0.00 0.00 55.06 54.42 1w44 s HIS 119 Cb 0.00 -0.90 -0.07 0.00 1.11 0.00 0.00 32.58 32.72 1w44 s HIS 119 CO 0.00 0.02 0.54 1.03 -0.85 0.00 0.00 174.74 175.48 1w44 s ARG 120 N -0.80 4.09 0.02 1.40 0.52 -1.26 -1.01 118.95 121.91 1w44 s ARG 120 Ca 0.05 0.62 0.08 0.00 -0.52 0.00 0.00 55.73 55.96 1w44 s ARG 120 Cb -0.07 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.23 1w44 s ARG 120 CO 0.01 0.60 -0.23 0.71 0.02 0.00 0.00 175.30 176.41 1w44 s TYR 121 N -1.21 2.44 0.29 -0.53 2.02 0.07 -4.99 117.35 115.43 1w44 s TYR 121 Ca 0.31 -0.34 -0.10 0.00 -0.37 0.00 0.00 57.07 56.56 1w44 s TYR 121 Cb -0.18 -1.46 -0.07 0.00 -0.40 0.00 0.00 41.96 39.85 1w44 s TYR 121 CO 0.18 0.14 0.63 0.00 -1.57 0.00 0.00 175.55 174.93 1w44 s ALA 122 N -0.79 3.48 1.01 3.71 0.00 -1.26 -0.62 121.76 127.29 1w44 s ALA 122 Ca 0.12 -0.23 -0.08 0.00 0.00 0.00 0.00 51.96 51.77 1w44 s ALA 122 Cb -0.10 -2.53 0.11 0.00 0.00 0.00 0.00 23.12 20.59 1w44 s ALA 122 CO 0.02 0.35 0.64 -1.13 0.00 0.00 0.00 175.76 175.64 1w44 n SER 123 N -0.49 -0.04 0.00 0.00 3.41 -0.50 -4.59 113.62 111.40 1w44 n SER 123 Ca 0.01 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1w44 n SER 123 Cb 0.53 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1w44 n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w44 n GLY 124 N 0.69 -1.44 3.75 5.00 0.00 -0.27 -4.73 105.19 108.18 1w44 n GLY 124 Ca 0.08 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 1w44 n GLY 124 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1w44 s MET 125 N 0.00 3.85 -0.19 1.61 -2.45 -1.26 -1.28 119.30 119.59 1w44 s MET 125 Ca 0.00 -0.23 -0.01 0.00 -1.25 0.00 0.00 55.69 54.20 1w44 s MET 125 Cb 0.00 -3.27 0.00 0.00 1.25 0.00 0.00 34.83 32.81 1w44 s MET 125 CO 0.00 0.46 -0.14 0.08 1.05 0.00 0.00 175.02 176.48 1w44 s VAL 126 N -0.13 2.65 -0.20 10.11 1.01 0.85 0.22 120.40 134.92 1w44 s VAL 126 Ca 0.09 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 1w44 s VAL 126 Cb -0.12 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1w44 s VAL 126 CO 0.00 0.49 0.12 -0.63 0.00 0.00 0.00 175.10 175.09 1w44 s ILE 127 N 1.23 5.23 -0.29 2.22 1.01 -0.90 -0.75 121.20 128.95 1w44 s ILE 127 Ca 0.03 0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.72 1w44 s ILE 127 Cb -0.14 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1w44 s ILE 127 CO -0.06 0.43 0.10 -0.69 0.00 0.00 0.00 174.94 174.71 1w44 s VAL 128 N 0.48 4.24 0.00 2.92 1.01 0.37 -0.60 120.40 128.82 1w44 s VAL 128 Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1w44 s VAL 128 Cb -0.12 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1w44 s VAL 128 CO -0.00 0.14 0.00 1.07 0.00 0.00 0.00 175.10 176.31 1w44 n THR 129 N 4.92 0.00 0.00 3.92 5.66 -0.14 -1.31 114.28 127.33 1w44 n THR 129 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1w44 n THR 129 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1w44 n THR 129 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1w44 n GLY 130 N 0.00 2.96 3.65 1.09 0.00 -1.26 -2.03 105.19 109.60 1w44 n GLY 130 Ca 0.00 -2.02 -0.22 0.00 0.00 0.00 0.00 46.02 43.78 1w44 n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1w44 n LYS 131 N -1.13 0.67 0.00 1.61 5.02 -1.26 -4.38 118.16 118.69 1w44 n LYS 131 Ca 0.00 -3.12 0.00 0.00 -2.02 0.00 0.00 58.31 53.17 1w44 n LYS 131 Cb 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 1w44 n LYS 131 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1w44 n GLY 132 N -1.48 -1.91 0.12 0.72 0.00 -1.26 -4.72 105.19 96.66 1w44 n GLY 132 Ca 0.06 -2.12 0.02 0.00 0.00 0.00 0.00 46.02 43.99 1w44 n GLY 132 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1w44 h ASN 133 N 0.00 0.00 -2.41 1.61 2.35 -1.97 -3.46 115.58 111.70 1w44 h ASN 133 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1w44 h ASN 133 Cb 0.00 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.40 1w44 h ASN 133 CO 0.00 0.50 1.16 -1.20 -1.65 0.00 0.00 177.43 176.25 1w44 n SER 134 N -3.08 4.07 -4.69 5.81 7.64 -1.26 -4.92 113.62 117.19 1w44 n SER 134 Ca -0.02 0.95 -0.42 0.00 1.01 0.00 0.00 58.87 60.38 1w44 n SER 134 Cb 0.76 -1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.41 1w44 n SER 134 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1w44 s GLY 135 N 3.53 2.04 0.03 0.23 0.00 -1.26 -4.97 107.32 106.93 1w44 s GLY 135 Ca 0.85 0.80 -0.17 0.00 0.00 0.00 0.00 44.72 46.20 1w44 s GLY 135 CO 0.40 2.32 1.11 0.50 0.00 0.00 0.00 173.10 177.43 1w44 h LYS 136 N 7.46 0.54 -0.47 2.90 1.57 -1.95 -3.12 116.57 123.50 1w44 h LYS 136 Ca -0.37 -0.63 0.01 0.00 -1.87 0.00 0.00 60.65 57.78 1w44 h LYS 136 Cb 1.18 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.66 1w44 h LYS 136 CO 0.88 1.25 0.31 1.15 -0.57 0.00 0.00 179.45 182.46 1w44 h THR 137 N 0.11 1.10 -0.14 -0.16 2.02 -1.97 -0.68 112.91 113.19 1w44 h THR 137 Ca -0.12 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 1w44 h THR 137 Cb 1.59 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1w44 h THR 137 CO 0.17 0.11 -0.18 -0.65 0.37 0.00 0.00 175.52 175.34 1w44 h PRO 138 N 0.62 0.24 -0.24 6.66 0.11 -1.90 -2.83 132.00 134.65 1w44 h PRO 138 Ca 0.18 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.07 1w44 h PRO 138 Cb -0.05 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1w44 h PRO 138 CO -0.05 0.42 -0.44 1.25 -0.21 0.00 0.00 178.00 178.97 1w44 h LEU 139 N 0.22 0.81 -1.12 2.35 7.12 -1.29 -2.19 115.31 121.22 1w44 h LEU 139 Ca 0.04 -0.53 -0.05 0.00 0.13 0.00 0.00 57.88 57.47 1w44 h LEU 139 Cb 0.46 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.33 1w44 h LEU 139 CO 0.03 1.19 0.12 -0.37 -0.13 0.00 0.00 178.44 179.28 1w44 h VAL 140 N 0.46 1.21 -0.25 1.05 -1.51 -0.97 -0.45 116.25 115.79 1w44 h VAL 140 Ca 0.01 -0.76 -0.15 0.00 -1.23 0.00 0.00 66.70 64.57 1w44 h VAL 140 Cb 1.05 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 1w44 h VAL 140 CO 0.10 0.28 -0.46 0.45 -1.23 0.00 0.00 177.57 176.71 1w44 h HIS 141 N 0.72 0.80 -0.56 5.19 3.86 -1.50 -0.21 115.15 123.45 1w44 h HIS 141 Ca 0.16 -0.25 -0.11 0.00 -1.16 0.00 0.00 60.37 59.01 1w44 h HIS 141 Cb 0.27 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1w44 h HIS 141 CO 0.01 1.00 -0.07 0.00 0.86 0.00 0.00 177.93 179.73 1w44 h ALA 142 N 0.96 0.81 -0.62 2.45 0.00 -0.85 -1.25 119.26 120.76 1w44 h ALA 142 Ca 0.03 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1w44 h ALA 142 Cb 1.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1w44 h ALA 142 CO 0.09 0.67 0.00 -0.07 0.00 0.00 0.00 179.25 179.94 1w44 h LEU 143 N 0.92 1.07 -0.22 0.00 3.38 -0.97 -0.45 115.31 119.03 1w44 h LEU 143 Ca 0.15 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1w44 h LEU 143 Cb 0.63 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1w44 h LEU 143 CO 0.04 1.11 0.15 1.23 0.09 0.00 0.00 178.44 181.06 1w44 h GLY 144 N 0.99 0.32 0.97 0.83 0.00 -0.78 0.43 103.07 105.83 1w44 h GLY 144 Ca 0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 1w44 h GLY 144 CO 0.03 0.12 0.13 -2.09 0.00 0.00 0.00 176.54 174.73 1w44 h GLU 145 N 0.30 0.79 -0.42 4.80 4.22 -1.08 0.77 114.58 123.97 1w44 h GLU 145 Ca 0.08 -0.18 -0.10 0.00 0.08 0.00 0.00 59.36 59.24 1w44 h GLU 145 Cb -0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1w44 h GLU 145 CO -0.02 0.76 -0.13 0.00 -2.18 0.00 0.00 179.01 177.43 1w44 h ALA 146 N 1.00 0.58 0.00 2.92 0.00 -0.80 -2.37 119.26 120.59 1w44 h ALA 146 Ca 0.16 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1w44 h ALA 146 Cb 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1w44 h ALA 146 CO -0.00 0.48 -0.38 -0.07 0.00 0.00 0.00 179.25 179.29 1w44 h LEU 147 N 0.64 0.00 -0.76 0.00 3.38 -0.92 -3.04 115.31 114.61 1w44 h LEU 147 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1w44 h LEU 147 Cb 0.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1w44 h LEU 147 CO 0.05 0.38 0.37 1.23 0.09 0.00 0.00 178.44 180.56 1w44 h GLY 148 N 3.31 1.16 0.00 0.83 0.00 -0.57 -3.46 103.07 104.34 1w44 h GLY 148 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1w44 h GLY 148 CO 0.05 0.54 0.00 0.61 0.00 0.00 0.00 176.54 177.74 1w44 n GLY 149 N -1.00 1.25 0.08 4.60 0.00 -0.92 -1.28 105.19 107.93 1w44 n GLY 149 Ca 0.07 0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.49 1w44 n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w44 h LYS 150 N 0.00 0.00 -5.94 1.61 1.57 -1.90 -3.46 116.57 108.45 1w44 h LYS 150 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1w44 h LYS 150 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1w44 h LYS 150 CO 0.00 0.00 -0.51 -0.51 -0.57 0.00 0.00 179.45 177.86 1w44 s ASP 151 N -4.42 6.28 0.49 0.86 -0.00 -0.40 -5.10 116.67 114.37 1w44 s ASP 151 Ca 0.07 0.24 -0.20 0.00 -0.00 0.00 0.00 52.55 52.67 1w44 s ASP 151 Cb 0.13 -1.91 -0.08 0.00 -0.00 0.00 0.00 42.92 41.05 1w44 s ASP 151 CO 0.68 0.17 1.02 -0.54 -0.00 0.00 0.00 175.17 176.50 1w44 s LYS 152 N -2.52 3.84 0.15 8.23 1.02 -1.26 -4.51 119.74 124.70 1w44 s LYS 152 Ca 0.34 1.27 0.03 0.00 0.02 0.00 0.00 55.97 57.64 1w44 s LYS 152 Cb -0.13 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1w44 s LYS 152 CO 0.27 -0.38 0.23 1.52 -0.92 0.00 0.00 175.35 176.07 1w44 s TYR 153 N -2.11 3.37 -0.07 3.18 1.13 -1.26 -4.77 117.35 116.82 1w44 s TYR 153 Ca 0.65 0.07 -0.13 0.00 -1.41 0.00 0.00 57.07 56.25 1w44 s TYR 153 Cb -0.14 -1.61 -0.05 0.00 -1.10 0.00 0.00 41.96 39.05 1w44 s TYR 153 CO 0.21 0.52 0.34 0.00 -2.51 0.00 0.00 175.55 174.10 1w44 s ALA 154 N -1.75 3.68 -0.17 9.51 0.00 -0.30 -4.98 121.76 127.76 1w44 s ALA 154 Ca 0.33 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 1w44 s ALA 154 Cb -0.11 -2.34 -0.00 0.00 0.00 0.00 0.00 23.12 20.67 1w44 s ALA 154 CO 0.27 0.36 -0.13 0.99 0.00 0.00 0.00 175.76 177.25 1w44 s THR 155 N -0.50 2.81 -0.23 0.00 2.01 -1.26 -0.08 115.64 118.39 1w44 s THR 155 Ca 0.20 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 1w44 s THR 155 Cb -0.15 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 1w44 s THR 155 CO 0.09 0.50 0.03 -0.69 -0.69 0.00 0.00 174.62 173.85 1w44 s VAL 156 N 0.98 4.05 -0.15 3.82 1.01 0.50 -4.97 120.40 125.64 1w44 s VAL 156 Ca -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 1w44 s VAL 156 Cb -0.15 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1w44 s VAL 156 CO -0.02 0.39 -0.04 -0.13 0.00 0.00 0.00 175.10 175.29 1w44 s ARG 157 N 1.35 3.60 -0.16 2.72 0.52 -1.26 -1.04 118.95 124.68 1w44 s ARG 157 Ca 0.05 -0.53 -0.11 0.00 -0.52 0.00 0.00 55.73 54.62 1w44 s ARG 157 Cb -0.15 -2.88 0.05 0.00 0.52 0.00 0.00 34.95 32.49 1w44 s ARG 157 CO 0.02 0.27 0.40 0.12 0.02 0.00 0.00 175.30 176.13 1w44 s PHE 158 N 0.27 -0.51 -1.35 -0.53 5.36 -0.93 -4.00 117.98 116.28 1w44 s PHE 158 Ca -0.03 1.17 -0.08 0.00 -0.96 0.00 0.00 56.93 57.02 1w44 s PHE 158 Cb -0.14 0.20 0.01 0.00 -0.34 0.00 0.00 43.02 42.76 1w44 s PHE 158 CO 0.03 -0.28 1.14 0.41 -1.46 0.00 0.00 175.22 175.07 1w44 n GLY 159 N 3.57 -0.52 3.24 13.12 0.00 -0.38 -4.32 105.19 119.91 1w44 n GLY 159 Ca -0.18 0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1w44 n GLY 159 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w44 s GLU 160 N -6.20 1.32 -1.57 1.61 0.41 -1.26 -4.76 118.70 108.25 1w44 s GLU 160 Ca 0.50 -0.93 -0.10 0.00 -0.41 0.00 0.00 54.97 54.03 1w44 s GLU 160 Cb -0.22 -1.43 -0.05 0.00 -1.78 0.00 0.00 34.13 30.65 1w44 s GLU 160 CO 0.74 0.36 2.80 -0.35 -0.49 0.00 0.00 175.26 178.32 1w44 n PRO 161 N 1.81 3.74 -4.32 0.39 -0.04 -1.26 -4.72 135.00 130.59 1w44 n PRO 161 Ca -0.17 -2.43 -0.17 0.00 -0.04 0.00 0.00 63.50 60.69 1w44 n PRO 161 Cb 0.53 -2.83 -0.10 0.00 -0.04 0.00 0.00 33.50 31.06 1w44 n PRO 161 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1w44 s LEU 162 N 0.07 2.27 0.43 1.53 1.43 -1.26 -5.11 118.68 118.04 1w44 s LEU 162 Ca 0.65 -1.18 -0.26 0.00 -1.03 0.00 0.00 54.13 52.31 1w44 s LEU 162 Cb 0.18 -0.30 -0.09 0.00 0.03 0.00 0.00 46.19 46.00 1w44 s LEU 162 CO -0.07 -0.47 1.43 -1.54 0.23 0.00 0.00 176.35 175.94 1w44 n SER 163 N -0.38 3.35 0.00 2.29 3.41 -1.26 -2.79 113.62 118.23 1w44 n SER 163 Ca -0.06 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 1w44 n SER 163 Cb 0.63 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 1w44 n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w44 n GLY 164 N 0.58 0.19 3.68 5.00 0.00 -1.26 -4.97 105.19 108.41 1w44 n GLY 164 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1w44 n GLY 164 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w44 s TYR 165 N -1.48 3.50 0.50 1.61 2.02 -1.12 -5.02 117.35 117.36 1w44 s TYR 165 Ca 0.00 1.55 -0.21 0.00 -0.37 0.00 0.00 57.07 58.04 1w44 s TYR 165 Cb 0.00 -3.17 -0.07 0.00 -0.40 0.00 0.00 41.96 38.33 1w44 s TYR 165 CO 0.00 -0.23 1.14 1.21 -1.57 0.00 0.00 175.55 176.10 1w44 s ASN 166 N 1.10 5.95 0.00 2.29 2.47 -1.26 -4.81 114.94 120.69 1w44 s ASN 166 Ca 0.47 2.22 0.00 0.00 0.42 0.00 0.00 52.86 55.97 1w44 s ASN 166 Cb -0.18 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.03 1w44 s ASN 166 CO 0.17 -1.07 0.62 0.35 -3.72 0.00 0.00 177.10 173.45 1w44 n THR 167 N -0.93 0.34 -3.35 -5.21 -2.24 -1.26 -1.25 114.28 100.38 1w44 n THR 167 Ca 0.10 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 61.09 1w44 n THR 167 Cb 0.50 0.93 -0.09 0.00 -2.10 0.00 0.00 70.33 69.56 1w44 n THR 167 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1w44 s ASP 168 N -0.34 6.21 0.38 3.42 -1.08 -1.26 -4.85 116.67 119.15 1w44 s ASP 168 Ca 0.00 -0.28 0.17 0.00 -0.52 0.00 0.00 52.55 51.92 1w44 s ASP 168 Cb 0.00 -2.22 1.08 0.00 -1.46 0.00 0.00 42.92 40.33 1w44 s ASP 168 CO 0.00 -0.42 1.75 0.15 0.52 0.00 0.00 175.17 177.17 1w44 h PHE 169 N 8.52 0.73 0.00 -5.34 3.57 -1.99 -1.17 116.94 121.25 1w44 h PHE 169 Ca -0.29 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.16 1w44 h PHE 169 Cb 1.13 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 1w44 h PHE 169 CO 0.68 0.03 -0.40 -0.91 -2.23 0.00 0.00 178.31 175.49 1w44 h ASN 170 N 0.41 0.00 0.52 0.41 2.35 -1.96 -2.11 115.58 115.20 1w44 h ASN 170 Ca 0.63 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 56.11 1w44 h ASN 170 Cb 1.54 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.91 1w44 h ASN 170 CO -0.35 0.40 -1.16 0.58 -1.65 0.00 0.00 177.43 175.24 1w44 h VAL 171 N 0.00 1.46 0.10 2.81 2.07 -1.66 -3.15 116.25 117.88 1w44 h VAL 171 Ca -0.00 -2.85 0.01 0.00 0.82 0.00 0.00 66.70 64.68 1w44 h VAL 171 Cb 0.91 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.44 1w44 h VAL 171 CO 0.05 0.84 -0.17 0.15 0.02 0.00 0.00 177.57 178.46 1w44 h PHE 172 N 0.13 -0.45 0.00 1.57 3.57 -1.05 -0.54 116.94 120.16 1w44 h PHE 172 Ca -0.12 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.34 1w44 h PHE 172 Cb 1.86 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.78 1w44 h PHE 172 CO 0.07 -0.26 -0.20 -0.39 -2.23 0.00 0.00 178.31 175.30 1w44 h VAL 173 N -0.34 0.63 -0.21 1.41 -1.51 -1.49 -0.50 116.25 114.24 1w44 h VAL 173 Ca 0.02 -0.90 -0.09 0.00 -1.23 0.00 0.00 66.70 64.51 1w44 h VAL 173 Cb 0.35 1.58 -0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1w44 h VAL 173 CO -0.09 0.19 -0.22 -0.78 -1.23 0.00 0.00 177.57 175.45 1w44 h ASP 174 N 0.00 0.55 -0.33 4.19 1.82 -1.42 -1.44 116.42 119.79 1w44 h ASP 174 Ca -0.00 -0.48 0.02 0.00 -0.39 0.00 0.00 57.03 56.18 1w44 h ASP 174 Cb 0.57 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.39 1w44 h ASP 174 CO 0.03 0.92 0.17 0.44 -1.61 0.00 0.00 179.24 179.18 1w44 h ASP 175 N 0.19 0.25 -0.39 2.28 3.32 -0.25 -2.17 116.42 119.64 1w44 h ASP 175 Ca 0.03 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1w44 h ASP 175 Cb 0.77 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1w44 h ASP 175 CO 0.05 0.18 0.17 0.40 -1.72 0.00 0.00 179.24 178.33 1w44 h ILE 176 N 0.34 1.18 -0.10 0.35 2.04 -1.08 -0.95 117.51 119.30 1w44 h ILE 176 Ca 0.14 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1w44 h ILE 176 Cb 0.04 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1w44 h ILE 176 CO -0.09 0.20 -0.04 0.00 0.00 0.00 0.00 178.15 178.21 1w44 h ALA 177 N 1.02 0.04 -0.62 1.87 0.00 -1.10 -0.83 119.26 119.64 1w44 h ALA 177 Ca 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1w44 h ALA 177 Cb 0.15 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1w44 h ALA 177 CO -0.01 -0.51 0.27 -0.09 0.00 0.00 0.00 179.25 178.92 1w44 h ARG 178 N -0.03 0.89 -0.51 0.00 2.43 -1.30 -0.49 114.38 115.38 1w44 h ARG 178 Ca 0.06 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 1w44 h ARG 178 Cb 0.11 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1w44 h ARG 178 CO -0.12 0.71 -0.10 0.00 -1.51 0.00 0.00 179.97 178.95 1w44 h ALA 179 N 1.42 0.69 0.00 2.80 0.00 -0.69 -2.12 119.26 121.36 1w44 h ALA 179 Ca 0.21 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1w44 h ALA 179 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1w44 h ALA 179 CO -0.02 0.59 -0.61 0.52 0.00 0.00 0.00 179.25 179.73 1w44 h MET 180 N 0.82 0.00 0.00 0.00 2.86 -0.85 0.56 114.93 118.33 1w44 h MET 180 Ca 0.13 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1w44 h MET 180 Cb 0.66 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1w44 h MET 180 CO 0.05 0.61 -0.31 -0.07 1.06 0.00 0.00 176.91 178.25 1w44 h LEU 181 N 0.00 0.00 -0.48 1.22 3.38 -0.89 -3.37 115.31 115.17 1w44 h LEU 181 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1w44 h LEU 181 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1w44 h LEU 181 CO 0.08 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.92 1w44 n GLN 182 N -3.44 2.45 -3.90 1.13 6.02 -0.81 -4.99 117.38 113.84 1w44 n GLN 182 Ca 0.00 -0.24 -0.11 0.00 -0.01 0.00 0.00 57.00 56.64 1w44 n GLN 182 Cb 0.49 -0.72 -0.12 0.00 1.02 0.00 0.00 30.24 30.90 1w44 n GLN 182 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1w44 s HIS 183 N -0.42 0.07 0.09 1.08 3.76 0.18 -5.04 115.29 115.01 1w44 s HIS 183 Ca 0.00 -0.15 0.10 0.00 -0.15 0.00 0.00 55.06 54.86 1w44 s HIS 183 Cb 0.00 -0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.60 1w44 s HIS 183 CO 0.00 -0.12 1.39 -0.09 -0.85 0.00 0.00 174.74 175.07 1w44 h ARG 184 N 5.31 0.00 -4.62 1.40 2.43 -1.90 -3.42 114.38 113.57 1w44 h ARG 184 Ca -0.28 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.34 1w44 h ARG 184 Cb 1.21 0.00 -0.34 0.00 -0.42 0.00 0.00 29.97 30.41 1w44 h ARG 184 CO 0.44 0.81 -0.82 0.08 -1.51 0.00 0.00 179.97 178.97 1w44 s VAL 185 N -2.94 1.32 -0.02 0.20 1.01 -1.26 -0.51 120.40 118.20 1w44 s VAL 185 Ca 0.01 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1w44 s VAL 185 Cb 0.10 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1w44 s VAL 185 CO 0.79 0.40 -0.05 -0.63 0.00 0.00 0.00 175.10 175.61 1w44 s ILE 186 N 0.94 0.48 -0.08 2.22 1.01 -0.13 -1.14 121.20 124.49 1w44 s ILE 186 Ca -0.09 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1w44 s ILE 186 Cb -0.15 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.85 1w44 s ILE 186 CO -0.00 0.16 -0.11 -0.69 0.00 0.00 0.00 174.94 174.30 1w44 s VAL 187 N 0.24 3.34 -0.21 2.92 1.01 0.88 -0.01 120.40 128.58 1w44 s VAL 187 Ca -0.03 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1w44 s VAL 187 Cb -0.07 -2.36 0.04 0.00 0.00 0.00 0.00 36.38 34.00 1w44 s VAL 187 CO -0.00 0.58 -0.14 -0.63 0.00 0.00 0.00 175.10 174.90 1w44 s ILE 188 N -0.50 1.94 -0.50 2.22 1.01 0.51 -0.37 121.20 125.51 1w44 s ILE 188 Ca 0.07 -1.14 -0.13 0.00 0.00 0.00 0.00 60.65 59.44 1w44 s ILE 188 Cb -0.12 -1.92 0.11 0.00 0.01 0.00 0.00 42.46 40.55 1w44 s ILE 188 CO 0.02 0.26 0.42 -0.62 0.00 0.00 0.00 174.94 175.02 1w44 s ASP 189 N 1.28 5.99 0.00 3.58 -1.08 -0.21 -2.74 116.67 123.49 1w44 s ASP 189 Ca -0.01 -1.72 0.00 0.00 -0.52 0.00 0.00 52.55 50.30 1w44 s ASP 189 Cb -0.16 -2.13 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 1w44 s ASP 189 CO -0.09 -0.75 0.00 -0.24 0.52 0.00 0.00 175.17 174.61 1w44 n SER 190 N 5.11 -0.26 0.01 -0.34 2.88 -1.26 -2.20 113.62 117.57 1w44 n SER 190 Ca -0.12 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.55 1w44 n SER 190 Cb 0.41 -0.13 0.34 0.00 -0.75 0.00 0.00 64.21 64.09 1w44 n SER 190 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1w44 n LEU 191 N 0.00 0.39 -0.34 2.46 7.94 -0.62 -4.19 117.00 122.63 1w44 n LEU 191 Ca 0.00 0.16 0.23 0.00 -1.11 0.00 0.00 56.01 55.29 1w44 n LEU 191 Cb 0.00 -0.31 0.46 0.00 0.53 0.00 0.00 43.42 44.10 1w44 n LEU 191 CO 0.00 0.07 1.14 0.11 -1.11 0.00 0.00 177.39 177.60 1w44 h LYS 192 N 0.00 0.36 -0.00 1.96 1.57 -1.92 -0.23 116.57 118.32 1w44 h LYS 192 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1w44 h LYS 192 Cb 0.52 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1w44 h LYS 192 CO 0.00 0.24 -0.09 0.09 -0.57 0.00 0.00 179.45 179.12 1w44 n ASN 193 N -4.98 0.12 0.02 0.86 4.13 -1.26 -2.89 115.26 111.26 1w44 n ASN 193 Ca 0.31 0.22 -0.04 0.00 1.68 0.00 0.00 54.58 56.74 1w44 n ASN 193 Cb 0.95 -0.32 -0.11 0.00 -1.54 0.00 0.00 39.78 38.76 1w44 n ASN 193 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 1w44 h VAL 194 N 0.04 0.81 -1.15 2.41 -1.51 -1.33 -3.51 116.25 112.02 1w44 h VAL 194 Ca 0.00 -2.48 -0.60 0.00 -1.23 0.00 0.00 66.70 62.39 1w44 h VAL 194 Cb 0.47 2.32 -0.10 0.00 -2.13 0.00 0.00 31.29 31.84 1w44 h VAL 194 CO 0.00 0.46 1.48 -0.63 -1.23 0.00 0.00 177.57 177.65 1w44 s ILE 195 N -2.75 3.94 -0.30 7.19 -1.09 -1.02 -4.85 121.20 122.32 1w44 s ILE 195 Ca -0.03 -0.79 -0.19 0.00 -2.23 0.00 0.00 60.65 57.41 1w44 s ILE 195 Cb 0.08 -5.05 0.19 0.00 -1.58 0.00 0.00 42.46 36.10 1w44 s ILE 195 CO 0.81 -1.93 1.24 -0.63 -1.23 0.00 0.00 174.94 173.21 1w44 s ILE 207 N 4.91 0.00 0.95 2.92 1.01 -1.26 -5.04 121.20 124.70 1w44 s ILE 207 Ca 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.99 1w44 s ILE 207 Cb -0.00 -1.00 0.16 0.00 0.01 0.00 0.00 42.46 41.63 1w44 s ILE 207 CO -0.10 0.00 1.09 -0.94 0.00 0.00 0.00 174.94 174.99 1w44 s SER 208 N 0.73 2.81 0.13 3.58 1.04 -1.26 -4.84 113.70 115.89 1w44 s SER 208 Ca -0.03 1.71 -0.17 0.00 0.48 0.00 0.00 55.95 57.95 1w44 s SER 208 Cb -0.03 -2.34 -0.01 0.00 0.10 0.00 0.00 66.02 63.73 1w44 s SER 208 CO -0.12 -3.09 1.71 -0.09 0.98 0.00 0.00 173.24 172.63 1w44 h ARG 209 N -1.86 0.52 -1.01 4.02 2.43 -1.84 -2.10 114.38 114.54 1w44 h ARG 209 Ca -0.50 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 58.65 1w44 h ARG 209 Cb 1.29 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.68 1w44 h ARG 209 CO 0.50 0.46 0.65 0.78 -1.51 0.00 0.00 179.97 180.85 1w44 h GLY 210 N 0.45 1.51 1.20 2.80 0.00 -1.38 0.16 103.07 107.81 1w44 h GLY 210 Ca 0.13 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 1w44 h GLY 210 CO -0.02 0.36 -0.09 0.00 0.00 0.00 0.00 176.54 176.79 1w44 h ALA 211 N 1.45 0.86 -0.31 3.60 0.00 -1.76 0.76 119.26 123.86 1w44 h ALA 211 Ca 0.42 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1w44 h ALA 211 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1w44 h ALA 211 CO -0.16 0.65 -0.04 0.35 0.00 0.00 0.00 179.25 180.05 1w44 h PHE 212 N 0.85 0.63 -0.49 0.00 3.57 -0.70 -2.07 116.94 118.73 1w44 h PHE 212 Ca 0.14 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1w44 h PHE 212 Cb 0.63 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1w44 h PHE 212 CO 0.04 0.73 0.29 -0.44 -2.23 0.00 0.00 178.31 176.70 1w44 h ASP 213 N 0.35 0.48 -0.21 0.41 3.32 -0.40 -2.31 116.42 118.06 1w44 h ASP 213 Ca 0.08 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1w44 h ASP 213 Cb 0.50 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1w44 h ASP 213 CO 0.02 0.34 0.07 0.25 -1.72 0.00 0.00 179.24 178.21 1w44 h LEU 214 N 0.59 0.08 -1.29 1.55 5.85 -0.66 0.18 115.31 121.61 1w44 h LEU 214 Ca 0.19 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1w44 h LEU 214 Cb 0.00 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1w44 h LEU 214 CO -0.08 0.08 0.42 -0.07 -0.34 0.00 0.00 178.44 178.45 1w44 h LEU 215 N 0.17 0.80 0.00 2.25 -0.00 -1.25 -1.52 115.31 115.75 1w44 h LEU 215 Ca 0.09 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1w44 h LEU 215 Cb 0.06 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 40.52 1w44 h LEU 215 CO -0.09 0.60 -0.37 0.77 -0.00 0.00 0.00 178.44 179.34 1w44 h SER 216 N 0.93 0.00 0.04 -0.43 4.64 -0.92 -3.40 113.55 114.41 1w44 h SER 216 Ca 0.25 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.18 1w44 h SER 216 Cb -0.06 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 61.97 1w44 h SER 216 CO -0.05 0.02 -2.35 0.47 -0.87 0.00 0.00 176.83 174.04 1w44 n ASP 217 N -2.95 1.86 -0.28 4.97 8.00 0.58 -4.73 116.55 124.01 1w44 n ASP 217 Ca 0.02 -0.04 0.06 0.00 0.71 0.00 0.00 54.79 55.54 1w44 n ASP 217 Cb 0.54 -0.41 0.20 0.00 -0.02 0.00 0.00 41.12 41.43 1w44 n ASP 217 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1w44 h ILE 218 N 0.02 0.73 -0.43 0.53 2.10 -1.49 -1.31 117.51 117.66 1w44 h ILE 218 Ca -0.54 -0.20 -0.00 0.00 1.08 0.00 0.00 64.86 65.20 1w44 h ILE 218 Cb 1.95 0.11 -0.02 0.00 -1.09 0.00 0.00 36.82 37.77 1w44 h ILE 218 CO -0.04 0.11 0.27 1.23 -1.08 0.00 0.00 178.15 178.63 1w44 h GLY 219 N 0.58 0.62 1.11 8.18 0.00 -1.83 -0.58 103.07 111.14 1w44 h GLY 219 Ca 0.43 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.38 1w44 h GLY 219 CO -0.36 0.25 -0.17 0.00 0.00 0.00 0.00 176.54 176.27 1w44 h ALA 220 N 1.13 0.72 -0.36 3.60 0.00 -1.73 0.35 119.26 122.96 1w44 h ALA 220 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1w44 h ALA 220 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1w44 h ALA 220 CO -0.03 0.68 0.24 0.52 0.00 0.00 0.00 179.25 180.65 1w44 h MET 221 N 0.90 0.48 -0.20 0.00 2.07 -0.94 -0.70 114.93 116.53 1w44 h MET 221 Ca 0.13 -0.03 -0.07 0.00 -2.07 0.00 0.00 59.70 57.66 1w44 h MET 221 Cb 0.75 -0.11 -0.00 0.00 -1.87 0.00 0.00 31.60 30.36 1w44 h MET 221 CO 0.06 0.32 -0.13 0.00 1.07 0.00 0.00 176.91 178.23 1w44 h ALA 222 N 1.13 0.29 -0.88 6.32 0.00 -0.97 -2.38 119.26 122.76 1w44 h ALA 222 Ca 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1w44 h ALA 222 Cb -0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1w44 h ALA 222 CO -0.03 0.15 0.56 0.00 0.00 0.00 0.00 179.25 179.93 1w44 h ALA 223 N 0.68 1.32 -0.44 0.00 0.00 -0.87 0.29 119.26 120.23 1w44 h ALA 223 Ca 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1w44 h ALA 223 Cb 0.64 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1w44 h ALA 223 CO 0.04 0.61 0.08 0.77 0.00 0.00 0.00 179.25 180.74 1w44 h SER 224 N 1.21 0.62 0.86 0.00 0.02 -1.00 -2.74 113.55 112.52 1w44 h SER 224 Ca 0.32 -0.11 -0.21 0.00 -0.84 0.00 0.00 61.79 60.95 1w44 h SER 224 Cb -0.09 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1w44 h SER 224 CO -0.06 0.64 -1.00 -0.09 -1.14 0.00 0.00 176.83 175.18 1w44 h ARG 225 N 0.65 0.07 0.00 3.45 9.65 -0.83 -3.45 114.38 123.91 1w44 h ARG 225 Ca 0.14 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1w44 h ARG 225 Cb 0.29 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1w44 h ARG 225 CO 0.00 1.00 0.00 0.41 2.80 0.00 0.00 179.97 184.19 1w44 n GLY 226 N 1.24 0.77 3.92 2.80 0.00 0.94 -3.95 105.19 110.91 1w44 n GLY 226 Ca -0.02 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 1w44 n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w44 s VAL 228 N -2.25 1.87 -0.24 0.00 0.11 0.33 -1.12 120.40 119.11 1w44 s VAL 228 Ca 0.43 -0.96 -0.02 0.00 -2.93 0.00 0.00 61.98 58.49 1w44 s VAL 228 Cb -0.07 -1.59 0.01 0.00 -1.53 0.00 0.00 36.38 33.20 1w44 s VAL 228 CO 0.29 0.52 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.83 1w44 s VAL 229 N -0.09 3.03 -0.37 2.04 1.01 -0.40 -0.96 120.40 124.66 1w44 s VAL 229 Ca -0.04 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 1w44 s VAL 229 Cb -0.13 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.80 1w44 s VAL 229 CO 0.03 0.28 0.19 -0.63 0.00 0.00 0.00 175.10 174.97 1w44 s ILE 230 N 1.38 4.43 -0.08 2.22 1.01 0.99 -0.10 121.20 131.04 1w44 s ILE 230 Ca 0.02 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.80 1w44 s ILE 230 Cb -0.16 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1w44 s ILE 230 CO -0.04 -0.23 -0.22 0.00 0.00 0.00 0.00 174.94 174.45 1w44 s ALA 231 N 1.53 1.96 0.27 9.38 0.00 0.07 -0.37 121.76 134.60 1w44 s ALA 231 Ca 0.01 -0.86 -0.23 0.00 0.00 0.00 0.00 51.96 50.88 1w44 s ALA 231 Cb -0.19 -0.72 -0.09 0.00 0.00 0.00 0.00 23.12 22.11 1w44 s ALA 231 CO 0.06 0.28 0.84 -1.54 0.00 0.00 0.00 175.76 175.39 1w44 s SER 232 N 0.30 7.23 -0.21 0.00 1.04 -1.11 -0.48 113.70 120.47 1w44 s SER 232 Ca -0.15 1.65 -0.04 0.00 0.48 0.00 0.00 55.95 57.89 1w44 s SER 232 Cb -0.17 -2.51 0.11 0.00 0.10 0.00 0.00 66.02 63.56 1w44 s SER 232 CO 0.07 0.00 0.34 -0.22 0.98 0.00 0.00 173.24 174.40 1w44 s LEU 233 N -1.93 -0.48 -0.28 2.42 2.96 -0.43 -1.60 118.68 119.34 1w44 s LEU 233 Ca 0.46 0.29 -0.22 0.00 -0.22 0.00 0.00 54.13 54.44 1w44 s LEU 233 Cb -0.18 0.94 -0.01 0.00 0.50 0.00 0.00 46.19 47.44 1w44 s LEU 233 CO 0.23 -0.29 0.72 0.20 -1.32 0.00 0.00 176.35 175.89 1w44 s ASN 234 N 2.49 6.64 0.26 3.68 -0.87 -1.26 -4.33 114.94 121.55 1w44 s ASN 234 Ca 0.08 0.70 0.04 0.00 -1.57 0.00 0.00 52.86 52.10 1w44 s ASN 234 Cb -0.15 -2.38 0.34 0.00 -0.02 0.00 0.00 41.25 39.04 1w44 s ASN 234 CO -0.14 -0.50 1.64 -0.65 -2.57 0.00 0.00 177.10 174.88 1w44 h PRO 235 N 7.99 0.34 -5.32 -0.60 0.11 -1.96 -3.45 132.00 129.10 1w44 h PRO 235 Ca -0.25 -0.18 -0.53 0.00 0.11 0.00 0.00 66.00 65.15 1w44 h PRO 235 Cb 1.11 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1w44 h PRO 235 CO 0.84 0.73 1.66 0.25 -0.21 0.00 0.00 178.00 181.26 1w44 n THR 236 N -3.99 -0.00 0.00 -1.15 -2.24 -1.26 -4.71 114.28 100.92 1w44 n THR 236 Ca -0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1w44 n THR 236 Cb 0.52 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 1w44 n THR 236 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1w44 n SER 237 N 11.59 0.00 -4.07 3.42 2.88 -1.26 -5.07 113.62 121.11 1w44 n SER 237 Ca 0.55 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.69 1w44 n SER 237 Cb 0.17 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.61 1w44 n SER 237 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1w44 n ASN 238 N 0.00 3.78 -3.33 -3.46 3.02 -1.26 -4.31 115.26 109.70 1w44 n ASN 238 Ca 0.00 -2.81 -0.21 0.00 -0.03 0.00 0.00 54.58 51.53 1w44 n ASN 238 Cb 0.00 -1.58 -0.08 0.00 -0.61 0.00 0.00 39.78 37.50 1w44 n ASN 238 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1w44 s ASP 239 N 4.35 1.33 0.00 6.41 3.68 -1.26 -5.01 116.67 126.17 1w44 s ASP 239 Ca 0.54 -2.21 0.00 0.00 2.13 0.00 0.00 52.55 53.01 1w44 s ASP 239 Cb 0.09 0.19 0.00 0.00 -1.45 0.00 0.00 42.92 41.75 1w44 s ASP 239 CO 0.04 -0.22 0.28 -0.90 0.13 0.00 0.00 175.17 174.50 1w44 n ASP 240 N 3.60 0.00 0.10 -0.34 5.75 -1.26 0.14 116.55 124.53 1w44 n ASP 240 Ca 0.18 0.04 -0.24 0.00 -0.01 0.00 0.00 54.79 54.76 1w44 n ASP 240 Cb 0.45 -0.04 -0.15 0.00 -1.03 0.00 0.00 41.12 40.35 1w44 n ASP 240 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1w44 h LYS 241 N 0.00 0.44 0.06 0.11 3.11 -1.95 -3.17 116.57 115.17 1w44 h LYS 241 Ca 0.00 -0.75 -0.26 0.00 -2.81 0.00 0.00 60.65 56.83 1w44 h LYS 241 Cb 0.14 0.28 -0.02 0.00 -1.00 0.00 0.00 32.23 31.63 1w44 h LYS 241 CO 0.00 1.36 -1.37 0.97 -2.81 0.00 0.00 179.45 177.60 1w44 h ILE 242 N 0.08 0.95 -0.14 2.00 2.10 0.80 -3.24 117.51 120.06 1w44 h ILE 242 Ca -0.31 -2.29 0.04 0.00 1.08 0.00 0.00 64.86 63.38 1w44 h ILE 242 Cb 2.09 2.51 -0.01 0.00 -1.09 0.00 0.00 36.82 40.32 1w44 h ILE 242 CO 0.21 0.57 0.10 1.62 -1.08 0.00 0.00 178.15 179.57 1w44 h VAL 243 N -0.57 0.93 0.00 2.19 3.04 -1.40 0.19 116.25 120.62 1w44 h VAL 243 Ca -0.33 -0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.26 1w44 h VAL 243 Cb 1.57 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 31.76 1w44 h VAL 243 CO -0.06 0.00 -0.46 -0.33 -1.01 0.00 0.00 177.57 175.72 1w44 h GLU 244 N 0.01 0.00 0.00 4.17 4.39 -1.70 -2.40 114.58 119.06 1w44 h GLU 244 Ca 0.07 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.63 1w44 h GLU 244 Cb 0.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1w44 h GLU 244 CO -0.00 0.46 -0.64 1.25 -1.16 0.00 0.00 179.01 178.92 1w44 h LEU 245 N 0.00 0.00 -0.13 1.33 5.85 -0.72 -0.64 115.31 121.01 1w44 h LEU 245 Ca -0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1w44 h LEU 245 Cb 1.32 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.35 1w44 h LEU 245 CO 0.06 0.64 -0.49 0.58 -0.34 0.00 0.00 178.44 178.88 1w44 h VAL 246 N 0.00 1.35 -0.44 1.05 2.07 -1.09 -1.24 116.25 117.95 1w44 h VAL 246 Ca -0.01 -1.79 -0.10 0.00 0.82 0.00 0.00 66.70 65.62 1w44 h VAL 246 Cb 1.28 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 33.14 1w44 h VAL 246 CO 0.08 0.54 -0.14 0.11 0.02 0.00 0.00 177.57 178.18 1w44 h LYS 247 N 0.18 0.82 -0.27 1.57 1.57 -1.36 -0.56 116.57 118.53 1w44 h LYS 247 Ca -0.03 -0.29 -0.17 0.00 -1.87 0.00 0.00 60.65 58.29 1w44 h LYS 247 Cb 1.13 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1w44 h LYS 247 CO 0.10 0.92 -0.51 1.49 -0.57 0.00 0.00 179.45 180.88 1w44 h GLU 248 N 0.73 0.82 -0.59 3.15 4.57 -1.10 0.91 114.58 123.07 1w44 h GLU 248 Ca 0.12 -0.52 -0.08 0.00 -1.18 0.00 0.00 59.36 57.69 1w44 h GLU 248 Cb 0.65 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 1w44 h GLU 248 CO 0.05 1.15 0.05 0.00 -1.18 0.00 0.00 179.01 179.08 1w44 h ALA 249 N 0.66 0.97 0.00 2.92 0.00 -1.13 0.26 119.26 122.95 1w44 h ALA 249 Ca 0.01 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1w44 h ALA 249 Cb 1.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1w44 h ALA 249 CO 0.11 0.63 -0.56 0.77 0.00 0.00 0.00 179.25 180.21 1w44 h SER 250 N 0.92 0.00 0.03 0.00 0.02 -0.95 -1.59 113.55 111.99 1w44 h SER 250 Ca 0.18 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.01 1w44 h SER 250 Cb 0.46 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1w44 h SER 250 CO 0.02 0.56 -0.61 -0.09 -1.14 0.00 0.00 176.83 175.56 1w44 h ARG 251 N 0.00 0.06 0.00 3.45 2.43 -0.38 -3.40 114.38 116.54 1w44 h ARG 251 Ca -0.01 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1w44 h ARG 251 Cb 1.07 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1w44 h ARG 251 CO 0.07 1.05 -1.09 0.43 -1.51 0.00 0.00 179.97 178.93 1w44 n SER 252 N -4.42 1.54 -0.51 -3.80 7.64 0.89 -4.61 113.62 110.34 1w44 n SER 252 Ca -0.18 -0.34 0.05 0.00 1.01 0.00 0.00 58.87 59.41 1w44 n SER 252 Cb 0.63 1.30 0.09 0.00 -1.01 0.00 0.00 64.21 65.21 1w44 n SER 252 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1w44 n ASN 253 N -1.62 2.34 -4.45 6.43 4.13 -0.62 -4.98 115.26 116.48 1w44 n ASN 253 Ca -0.00 -1.69 -0.33 0.00 1.68 0.00 0.00 54.58 54.24 1w44 n ASN 253 Cb 0.25 -0.10 -0.13 0.00 -1.54 0.00 0.00 39.78 38.26 1w44 n ASN 253 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1w44 s SER 254 N -0.94 4.11 0.09 6.41 0.01 -1.05 -4.48 113.70 117.86 1w44 s SER 254 Ca 0.17 -0.22 -0.12 0.00 1.31 0.00 0.00 55.95 57.09 1w44 s SER 254 Cb 0.10 -1.19 -0.20 0.00 0.21 0.00 0.00 66.02 64.95 1w44 s SER 254 CO 0.14 0.28 1.23 0.74 0.41 0.00 0.00 173.24 176.04 1w44 h THR 255 N 4.75 1.30 -3.88 1.44 2.02 -0.57 -3.46 112.91 114.51 1w44 h THR 255 Ca -0.39 -2.25 -0.26 0.00 0.77 0.00 0.00 66.41 64.28 1w44 h THR 255 Cb 1.18 2.34 -0.18 0.00 -1.74 0.00 0.00 68.15 69.75 1w44 h THR 255 CO 0.53 0.69 -0.72 -0.44 0.37 0.00 0.00 175.52 175.95 1w44 s SER 256 N -7.23 1.05 -0.06 4.18 0.01 -0.80 -1.32 113.70 109.53 1w44 s SER 256 Ca -0.09 -0.78 0.03 0.00 1.31 0.00 0.00 55.95 56.42 1w44 s SER 256 Cb 0.07 0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.37 1w44 s SER 256 CO 0.91 -0.32 -0.14 -0.22 0.41 0.00 0.00 173.24 173.87 1w44 s LEU 257 N -2.31 1.77 -0.23 2.44 2.96 0.45 -2.11 118.68 121.64 1w44 s LEU 257 Ca 0.01 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1w44 s LEU 257 Cb -0.03 -0.89 0.03 0.00 0.50 0.00 0.00 46.19 45.81 1w44 s LEU 257 CO -0.02 0.08 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.29 1w44 s VAL 258 N 0.42 2.48 -0.04 1.68 1.01 0.23 -0.65 120.40 125.53 1w44 s VAL 258 Ca -0.11 -1.15 0.04 0.00 0.00 0.00 0.00 61.98 60.76 1w44 s VAL 258 Cb -0.14 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 1w44 s VAL 258 CO 0.03 0.24 -0.15 -0.51 0.00 0.00 0.00 175.10 174.71 1w44 s ILE 259 N 1.26 1.28 0.77 2.22 2.07 -0.02 -0.97 121.20 127.82 1w44 s ILE 259 Ca -0.01 -0.64 -0.12 0.00 -1.41 0.00 0.00 60.65 58.48 1w44 s ILE 259 Cb -0.16 -1.11 0.06 0.00 0.13 0.00 0.00 42.46 41.38 1w44 s ILE 259 CO -0.07 0.37 1.11 -0.94 -1.91 0.00 0.00 174.94 173.51 1w44 s SER 260 N 0.07 4.33 0.04 4.50 1.04 -0.86 -0.90 113.70 121.92 1w44 s SER 260 Ca -0.03 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.35 1w44 s SER 260 Cb -0.11 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.47 1w44 s SER 260 CO 0.02 -2.16 0.00 0.35 0.98 0.00 0.00 173.24 172.43 1w44 n THR 261 N -3.37 0.00 0.18 2.02 -2.24 -1.05 -4.77 114.28 105.05 1w44 n THR 261 Ca 0.10 -0.19 0.05 0.00 -2.27 0.00 0.00 64.05 61.74 1w44 n THR 261 Cb 0.52 0.04 0.49 0.00 -2.10 0.00 0.00 70.33 69.29 1w44 n THR 261 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1w44 h ASP 262 N 0.09 0.10 -3.78 3.42 3.45 -1.95 -3.41 116.42 114.34 1w44 h ASP 262 Ca -0.03 -0.01 -0.64 0.00 0.43 0.00 0.00 57.03 56.78 1w44 h ASP 262 Cb 0.10 -0.03 -0.16 0.00 -0.56 0.00 0.00 39.33 38.68 1w44 h ASP 262 CO 0.05 0.21 -0.34 -0.69 -1.57 0.00 0.00 179.24 176.91 1w44 s VAL 263 N -4.83 5.22 0.25 -1.35 1.01 -1.26 -5.04 120.40 114.39 1w44 s VAL 263 Ca -0.05 0.37 -0.31 0.00 0.00 0.00 0.00 61.98 61.99 1w44 s VAL 263 Cb 0.16 -3.65 -0.13 0.00 0.00 0.00 0.00 36.38 32.76 1w44 s VAL 263 CO 0.70 0.16 1.46 0.47 0.00 0.00 0.00 175.10 177.90 1w44 n ASP 264 N 5.24 3.03 0.00 3.32 10.43 -1.26 -1.38 116.55 135.94 1w44 n ASP 264 Ca -0.10 1.14 0.00 0.00 2.57 0.00 0.00 54.79 58.39 1w44 n ASP 264 Cb 0.51 -1.47 0.00 0.00 1.84 0.00 0.00 41.12 42.00 1w44 n ASP 264 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1w44 n GLY 265 N 2.25 1.91 3.77 0.44 0.00 -1.26 -4.97 105.19 107.33 1w44 n GLY 265 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1w44 n GLY 265 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1w44 s GLU 266 N -0.49 3.45 0.08 1.61 2.12 -0.48 -2.03 118.70 122.96 1w44 s GLU 266 Ca 0.00 -0.26 0.04 0.00 0.36 0.00 0.00 54.97 55.11 1w44 s GLU 266 Cb 0.00 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 1w44 s GLU 266 CO 0.00 0.63 -0.11 -1.58 -0.54 0.00 0.00 175.26 173.67 1w44 s TRP 267 N -0.65 1.02 -0.10 5.30 0.52 -0.44 -2.52 118.94 122.07 1w44 s TRP 267 Ca 0.12 -0.55 -0.00 0.00 0.02 0.00 0.00 56.10 55.68 1w44 s TRP 267 Cb -0.12 -0.57 -0.03 0.00 -1.15 0.00 0.00 33.47 31.60 1w44 s TRP 267 CO 0.02 0.00 -0.08 -0.65 0.02 0.00 0.00 176.95 176.26 1w44 s GLN 268 N -2.15 3.13 -0.18 4.98 -0.21 -0.07 -0.52 119.66 124.64 1w44 s GLN 268 Ca -0.01 -0.59 -0.03 0.00 0.02 0.00 0.00 55.36 54.75 1w44 s GLN 268 Cb -0.07 -2.67 -0.02 0.00 1.00 0.00 0.00 33.01 31.26 1w44 s GLN 268 CO 0.01 0.44 -0.05 0.08 -2.12 0.00 0.00 175.29 173.64 1w44 s VAL 269 N -0.20 3.49 -0.17 1.09 1.01 0.36 -0.84 120.40 125.15 1w44 s VAL 269 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1w44 s VAL 269 Cb -0.13 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1w44 s VAL 269 CO 0.03 0.46 -0.17 -0.76 0.00 0.00 0.00 175.10 174.66 1w44 s LEU 270 N 0.93 2.32 -0.15 3.92 2.01 0.18 -1.68 118.68 126.21 1w44 s LEU 270 Ca -0.01 -0.56 0.01 0.00 0.01 0.00 0.00 54.13 53.58 1w44 s LEU 270 Cb -0.15 -1.53 0.00 0.00 0.01 0.00 0.00 46.19 44.52 1w44 s LEU 270 CO 0.01 0.04 -0.16 -0.89 1.01 0.00 0.00 176.35 176.35 1w44 s THR 271 N 1.09 2.56 -0.33 5.49 2.01 -0.26 -0.41 115.64 125.79 1w44 s THR 271 Ca -0.00 -0.80 -0.28 0.00 0.31 0.00 0.00 61.69 60.92 1w44 s THR 271 Cb -0.14 -2.08 0.02 0.00 0.01 0.00 0.00 72.50 70.31 1w44 s THR 271 CO -0.06 0.52 1.03 -0.13 -0.69 0.00 0.00 174.62 175.29 1w44 s ARG 272 N 0.85 4.02 0.06 4.92 0.52 -0.43 -0.88 118.95 127.99 1w44 s ARG 272 Ca -0.05 0.95 0.27 0.00 -0.52 0.00 0.00 55.73 56.38 1w44 s ARG 272 Cb -0.15 -3.75 0.82 0.00 0.52 0.00 0.00 34.95 32.39 1w44 s ARG 272 CO -0.01 -0.91 1.67 0.25 0.02 0.00 0.00 175.30 176.32 1w44 n THR 273 N 5.90 0.16 0.00 0.02 -2.24 -1.24 -4.81 114.28 112.07 1w44 n THR 273 Ca 0.11 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1w44 n THR 273 Cb 0.47 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1w44 n THR 273 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w44 n GLY 274 N 1.44 1.77 3.68 3.38 0.00 -1.26 -3.97 105.19 110.22 1w44 n GLY 274 Ca 0.06 -1.06 -0.44 0.00 0.00 0.00 0.00 46.02 44.58 1w44 n GLY 274 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1w44 n GLU 275 N -0.85 2.64 -0.79 1.61 2.13 0.17 -1.62 120.64 123.92 1w44 n GLU 275 Ca 0.00 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.78 1w44 n GLU 275 Cb 0.00 -2.86 0.00 0.00 0.27 0.00 0.00 31.44 28.85 1w44 n GLU 275 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1w44 n GLY 276 N 4.29 0.57 3.98 8.31 0.00 -1.26 -4.99 105.19 116.08 1w44 n GLY 276 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 1w44 n GLY 276 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w44 s LEU 277 N 0.00 3.25 0.45 0.99 1.43 -0.64 -5.07 118.68 119.09 1w44 s LEU 277 Ca 0.00 -0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 52.76 1w44 s LEU 277 Cb 0.00 -2.68 -0.10 0.00 0.03 0.00 0.00 46.19 43.44 1w44 s LEU 277 CO 0.00 -1.22 0.97 -1.10 0.23 0.00 0.00 176.35 175.23 1w44 s GLN 278 N -4.78 4.11 0.25 1.70 -0.21 -1.26 -4.72 119.66 114.75 1w44 s GLN 278 Ca 0.59 1.18 -0.23 0.00 0.02 0.00 0.00 55.36 56.91 1w44 s GLN 278 Cb -0.09 -2.16 -0.09 0.00 1.00 0.00 0.00 33.01 31.67 1w44 s GLN 278 CO 0.39 -0.14 0.82 1.03 -2.12 0.00 0.00 175.29 175.27 1w44 s ARG 279 N -3.21 4.44 0.39 2.91 0.52 -1.26 -3.63 118.95 119.12 1w44 s ARG 279 Ca 0.63 1.10 0.08 0.00 -0.52 0.00 0.00 55.73 57.02 1w44 s ARG 279 Cb -0.11 -2.92 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 1w44 s ARG 279 CO 0.15 0.39 0.29 -0.51 0.02 0.00 0.00 175.30 175.64 1w44 s LEU 280 N -1.85 3.35 -0.10 2.53 1.43 -0.06 -1.46 118.68 122.52 1w44 s LEU 280 Ca 0.44 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 1w44 s LEU 280 Cb -0.19 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.15 1w44 s LEU 280 CO 0.23 -0.54 0.33 0.28 0.23 0.00 0.00 176.35 176.89 1w44 s THR 281 N -2.47 0.01 0.16 5.49 -1.32 0.13 -1.11 115.64 116.54 1w44 s THR 281 Ca 0.44 -0.10 -0.15 0.00 -1.21 0.00 0.00 61.69 60.67 1w44 s THR 281 Cb -0.02 -0.50 0.02 0.00 -1.51 0.00 0.00 72.50 70.49 1w44 s THR 281 CO 0.26 -0.06 0.41 -1.38 -2.21 0.00 0.00 174.62 171.64 1w44 s HIS 282 N -0.15 -0.03 0.13 9.09 -3.43 -0.68 -4.65 115.29 115.57 1w44 s HIS 282 Ca -0.03 -0.31 0.07 0.00 -0.80 0.00 0.00 55.06 53.99 1w44 s HIS 282 Cb -0.03 0.23 -0.04 0.00 -1.43 0.00 0.00 32.58 31.30 1w44 s HIS 282 CO 0.01 -0.77 -0.04 0.99 -2.00 0.00 0.00 174.74 172.93 1w44 s THR 283 N -3.86 3.67 -0.03 -5.38 2.01 -1.26 -0.49 115.64 110.29 1w44 s THR 283 Ca 0.08 -1.26 0.05 0.00 0.31 0.00 0.00 61.69 60.87 1w44 s THR 283 Cb 0.01 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 1w44 s THR 283 CO -0.06 0.03 -0.18 -0.76 -0.69 0.00 0.00 174.62 172.95 1w44 s LEU 284 N -2.52 1.97 0.03 4.42 1.02 0.32 -4.97 118.68 118.94 1w44 s LEU 284 Ca 0.25 -0.35 0.04 0.00 0.02 0.00 0.00 54.13 54.09 1w44 s LEU 284 Cb -0.11 -0.98 -0.04 0.00 0.02 0.00 0.00 46.19 45.09 1w44 s LEU 284 CO 0.17 0.18 -0.06 -1.10 0.02 0.00 0.00 176.35 175.56 1w44 s GLN 285 N -0.14 2.48 0.14 1.70 -1.52 -1.26 -1.33 119.66 119.72 1w44 s GLN 285 Ca 0.00 -0.78 -0.05 0.00 -1.95 0.00 0.00 55.36 52.58 1w44 s GLN 285 Cb -0.10 -2.47 -0.03 0.00 -0.22 0.00 0.00 33.01 30.19 1w44 s GLN 285 CO 0.01 0.58 0.15 0.95 -0.25 0.00 0.00 175.29 176.73 1w44 s THR 286 N -1.07 0.09 0.07 -0.19 -4.23 -0.86 -0.41 115.64 109.04 1w44 s THR 286 Ca 0.19 -1.67 -0.20 0.00 -1.18 0.00 0.00 61.69 58.83 1w44 s THR 286 Cb -0.11 -1.92 0.05 0.00 1.34 0.00 0.00 72.50 71.85 1w44 s THR 286 CO 0.10 -0.42 0.48 -0.94 -0.54 0.00 0.00 174.62 173.30 1w44 s SER 287 N -3.00 -0.38 -0.00 3.99 1.04 -0.70 -4.82 113.70 109.83 1w44 s SER 287 Ca 0.20 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.60 1w44 s SER 287 Cb 0.06 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 1w44 s SER 287 CO 0.00 -0.76 0.25 -0.31 0.98 0.00 0.00 173.24 173.40 1w44 s TYR 288 N -2.85 3.58 0.00 5.02 2.02 -1.26 -0.99 117.35 122.87 1w44 s TYR 288 Ca -0.03 0.54 0.00 0.00 -0.37 0.00 0.00 57.07 57.21 1w44 s TYR 288 Cb -0.00 -1.96 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 1w44 s TYR 288 CO -0.05 0.63 0.00 0.41 -1.57 0.00 0.00 175.55 174.97 1w44 n GLY 289 N 1.14 3.75 3.79 0.71 0.00 -0.02 -4.98 105.19 109.58 1w44 n GLY 289 Ca -0.12 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 1w44 n GLY 289 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w44 s GLU 290 N 2.83 3.52 -1.56 1.61 2.02 -1.26 -3.75 118.70 122.10 1w44 s GLU 290 Ca 0.00 1.46 -0.14 0.00 0.02 0.00 0.00 54.97 56.31 1w44 s GLU 290 Cb 0.00 -2.04 0.10 0.00 0.10 0.00 0.00 34.13 32.28 1w44 s GLU 290 CO 0.00 -0.68 0.91 0.72 0.02 0.00 0.00 175.26 176.23 1w44 n HIS 291 N -1.28 -2.14 -2.04 1.61 8.25 -1.26 -2.11 115.22 116.25 1w44 n HIS 291 Ca 0.10 0.87 -0.18 0.00 -0.26 0.00 0.00 57.72 58.26 1w44 n HIS 291 Cb 0.52 -3.76 -0.04 0.00 1.12 0.00 0.00 29.99 27.83 1w44 n HIS 291 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1w44 n SER 292 N -2.81 -4.97 -4.66 0.41 7.64 -1.25 -4.94 113.62 103.04 1w44 n SER 292 Ca 0.02 0.22 -0.43 0.00 1.01 0.00 0.00 58.87 59.69 1w44 n SER 292 Cb 0.53 -4.29 -0.02 0.00 -1.01 0.00 0.00 64.21 59.42 1w44 n SER 292 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1w44 s VAL 293 N -2.73 4.63 0.12 0.44 1.01 -0.90 -4.85 120.40 118.12 1w44 s VAL 293 Ca 0.00 1.96 -0.12 0.00 0.00 0.00 0.00 61.98 63.83 1w44 s VAL 293 Cb 0.00 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 1w44 s VAL 293 CO 0.00 -0.16 0.48 -0.22 0.00 0.00 0.00 175.10 175.20 1w44 s LEU 294 N 3.14 4.33 -0.07 3.92 2.96 -1.26 -0.84 118.68 130.86 1w44 s LEU 294 Ca 0.46 0.92 0.05 0.00 -0.22 0.00 0.00 54.13 55.33 1w44 s LEU 294 Cb -0.16 -3.17 -0.00 0.00 0.50 0.00 0.00 46.19 43.35 1w44 s LEU 294 CO 0.08 0.12 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.12 1w44 s THR 295 N -1.47 1.88 -0.24 3.68 2.01 -0.16 -4.68 115.64 116.67 1w44 s THR 295 Ca 0.36 -0.95 -0.19 0.00 0.31 0.00 0.00 61.69 61.23 1w44 s THR 295 Cb -0.14 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 1w44 s THR 295 CO 0.19 0.52 0.55 -0.63 -0.69 0.00 0.00 174.62 174.57 1w44 s ILE 296 N 0.13 5.05 0.41 1.82 1.01 -1.26 -1.71 121.20 126.66 1w44 s ILE 296 Ca -0.11 0.98 -0.24 0.00 0.00 0.00 0.00 60.65 61.28 1w44 s ILE 296 Cb -0.15 -3.87 -0.08 0.00 0.01 0.00 0.00 42.46 38.37 1w44 s ILE 296 CO 0.06 0.09 1.15 -1.00 0.00 0.00 0.00 174.94 175.23 1w44 s HIS 297 N 2.18 3.06 0.00 3.97 3.76 0.45 -5.00 115.29 123.71 1w44 s HIS 297 Ca 0.24 1.57 0.00 0.00 -0.15 0.00 0.00 55.06 56.71 1w44 s HIS 297 Cb -0.16 -3.34 0.00 0.00 1.11 0.00 0.00 32.58 30.19 1w44 s HIS 297 CO 0.09 -1.23 0.00 2.41 -0.85 0.00 0.00 174.74 175.16 1w44 n THR 298 N -0.08 0.00 -1.50 1.30 -1.04 -1.26 -4.59 114.28 107.11 1w44 n THR 298 Ca 0.05 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.65 1w44 n THR 298 Cb 0.47 -0.22 -0.11 0.00 -1.82 0.00 0.00 70.33 68.66 1w44 n THR 298 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1w44 n SER 299 N 0.00 1.07 0.00 8.00 2.88 -1.26 -4.95 113.62 119.36 1w44 n SER 299 Ca 0.00 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1w44 n SER 299 Cb 0.00 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 1w44 n SER 299 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1w44 n GLN 306 N 8.59 0.00 -3.00 -1.46 10.64 -1.26 -5.13 117.38 125.75 1w44 n GLN 306 Ca 0.55 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 55.33 1w44 n GLN 306 Cb 0.20 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.52 1w44 n GLN 306 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1w44 s ALA 307 N -0.00 3.42 0.27 2.61 0.00 -1.26 0.22 121.76 127.01 1w44 s ALA 307 Ca 0.00 0.32 0.07 0.00 0.00 0.00 0.00 51.96 52.35 1w44 s ALA 307 Cb 0.00 -2.94 -0.06 0.00 0.00 0.00 0.00 23.12 20.13 1w44 s ALA 307 CO 0.00 0.29 -0.08 -1.54 0.00 0.00 0.00 175.76 174.43 1w44 s SER 308 N -1.32 2.77 0.37 0.00 1.04 -0.54 -4.89 113.70 111.13 1w44 s SER 308 Ca 0.39 -1.15 0.07 0.00 0.48 0.00 0.00 55.95 55.74 1w44 s SER 308 Cb -0.21 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.72 1w44 s SER 308 CO 0.25 -0.29 0.36 -0.83 0.98 0.00 0.00 173.24 173.71 1w44 s GLY 309 N -3.42 1.89 0.40 7.32 0.00 -1.26 -4.33 107.32 107.92 1w44 s GLY 309 Ca 0.28 -1.71 0.14 0.00 0.00 0.00 0.00 44.72 43.42 1w44 s GLY 309 CO 0.11 -1.59 1.88 1.70 0.00 0.00 0.00 173.10 175.20 1w44 h LYS 310 N 1.09 0.50 0.03 2.90 1.63 -2.00 -1.72 116.57 119.01 1w44 h LYS 310 Ca -0.43 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.35 1w44 h LYS 310 Cb 1.26 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.75 1w44 h LYS 310 CO 0.56 0.33 -0.14 0.00 -3.45 0.00 0.00 179.45 176.76 1w44 h ALA 311 N 1.62 -0.19 -0.99 5.00 0.00 -2.00 -1.66 119.26 121.05 1w44 h ALA 311 Ca 0.43 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.43 1w44 h ALA 311 Cb 0.89 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1w44 h ALA 311 CO -0.17 -0.64 0.63 0.82 0.00 0.00 0.00 179.25 179.89 1w44 h ILE 312 N -0.25 1.01 -0.06 0.00 2.04 -1.72 -1.64 117.51 116.88 1w44 h ILE 312 Ca 0.04 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1w44 h ILE 312 Cb 0.29 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1w44 h ILE 312 CO -0.11 0.20 0.03 -0.61 0.00 0.00 0.00 178.15 177.66 1w44 h GLN 313 N 1.07 0.09 -0.18 2.37 -0.00 -1.06 -2.01 115.11 115.40 1w44 h GLN 313 Ca 0.46 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 59.05 1w44 h GLN 313 Cb 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 1w44 h GLN 313 CO -0.22 0.14 -0.08 1.15 0.00 0.00 0.00 178.83 179.83 1w44 h THR 314 N 0.01 1.17 -0.44 2.39 2.02 -0.89 -1.48 112.91 115.68 1w44 h THR 314 Ca 0.02 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 1w44 h THR 314 Cb 0.08 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1w44 h THR 314 CO -0.00 0.22 0.20 0.58 0.37 0.00 0.00 175.52 176.89 1w44 h VAL 315 N 0.27 1.19 -0.66 3.16 2.07 -0.91 -1.49 116.25 119.87 1w44 h VAL 315 Ca 0.06 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1w44 h VAL 315 Cb 0.32 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1w44 h VAL 315 CO 0.02 0.21 0.30 0.40 0.02 0.00 0.00 177.57 178.52 1w44 h ILE 316 N 0.57 1.23 -0.36 4.57 5.03 -0.85 -2.49 117.51 125.22 1w44 h ILE 316 Ca 0.15 -0.66 -0.01 0.00 -0.12 0.00 0.00 64.86 64.22 1w44 h ILE 316 Cb 0.15 0.44 -0.02 0.00 -3.03 0.00 0.00 36.82 34.36 1w44 h ILE 316 CO -0.02 0.27 0.17 0.11 -0.68 0.00 0.00 178.15 178.01 1w44 h LYS 317 N 0.92 0.49 -0.72 2.37 1.79 -0.96 -1.71 116.57 118.75 1w44 h LYS 317 Ca 0.23 -0.05 0.17 0.00 -2.18 0.00 0.00 60.65 58.82 1w44 h LYS 317 Cb 0.14 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.65 1w44 h LYS 317 CO -0.03 0.38 0.50 -0.91 -1.08 0.00 0.00 179.45 178.31 1w44 h ASN 318 N 0.50 0.22 -0.99 0.86 4.21 -0.79 -2.09 115.58 117.50 1w44 h ASN 318 Ca 0.13 0.02 0.25 0.00 1.21 0.00 0.00 56.30 57.90 1w44 h ASN 318 Cb 0.05 -0.03 -0.07 0.00 -1.12 0.00 0.00 38.32 37.15 1w44 h ASN 318 CO -0.02 0.11 0.66 0.44 -1.29 0.00 0.00 177.43 177.33 1w44 h ASP 319 N 0.23 0.33 -0.28 5.81 5.19 -1.36 -2.92 116.42 123.42 1w44 h ASP 319 Ca 0.35 0.05 -0.19 0.00 -0.62 0.00 0.00 57.03 56.62 1w44 h ASP 319 Cb 1.05 -0.01 -0.08 0.00 0.18 0.00 0.00 39.33 40.48 1w44 h ASP 319 CO -0.08 0.10 0.15 -0.62 -3.12 0.00 0.00 179.24 175.67 1w44 n GLU 320 N -4.49 1.55 0.00 3.56 1.02 -0.79 -4.59 120.64 116.90 1w44 n GLU 320 Ca 0.22 -0.93 0.00 0.00 -0.02 0.00 0.00 57.16 56.43 1w44 n GLU 320 Cb 0.86 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 1w44 n GLU 320 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59