#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w4a s ILE 2 N 0.00 5.18 0.04 3.17 -4.36 -1.26 -5.11 121.20 118.86 1w4a s ILE 2 Ca 0.00 -0.67 0.07 0.00 -0.26 0.00 0.00 60.65 59.79 1w4a s ILE 2 Cb 0.00 -3.62 -0.02 0.00 1.25 0.00 0.00 42.46 40.06 1w4a s ILE 2 CO 0.00 -0.03 -0.20 -1.00 0.24 0.00 0.00 174.94 173.95 1w4a s HIS 3 N -1.67 1.79 -0.06 1.37 3.76 -1.26 -4.79 115.29 114.43 1w4a s HIS 3 Ca 0.34 -0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 54.87 1w4a s HIS 3 Cb -0.11 -1.08 -0.03 0.00 1.11 0.00 0.00 32.58 32.47 1w4a s HIS 3 CO 0.27 0.08 0.00 -0.51 -0.85 0.00 0.00 174.74 173.73 1w4a s LEU 4 N -1.10 3.57 0.04 0.89 1.43 -1.26 -5.12 118.68 117.14 1w4a s LEU 4 Ca 0.07 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1w4a s LEU 4 Cb -0.09 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1w4a s LEU 4 CO 0.01 0.35 -0.03 -0.31 0.23 0.00 0.00 176.35 176.60 1w4a s TYR 5 N -0.94 0.45 0.41 0.29 2.02 -1.26 -4.98 117.35 113.34 1w4a s TYR 5 Ca 0.15 -0.88 0.03 0.00 -0.37 0.00 0.00 57.07 56.00 1w4a s TYR 5 Cb -0.11 -0.33 -0.01 0.00 -0.40 0.00 0.00 41.96 41.10 1w4a s TYR 5 CO 0.05 -0.31 0.13 -0.40 -1.57 0.00 0.00 175.55 173.44 1w4a n ASP 6 N 0.60 1.50 -0.28 2.29 5.68 -1.26 -4.97 116.55 120.12 1w4a n ASP 6 Ca -0.17 -3.14 0.00 0.00 -0.50 0.00 0.00 54.79 50.98 1w4a n ASP 6 Cb 0.59 0.93 0.13 0.00 -1.14 0.00 0.00 41.12 41.63 1w4a n ASP 6 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1w4a h ALA 7 N 1.61 1.07 0.36 2.12 0.00 -2.01 -1.82 119.26 120.58 1w4a h ALA 7 Ca -0.32 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1w4a h ALA 7 Cb 1.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1w4a h ALA 7 CO 0.52 0.14 -0.17 0.87 0.00 0.00 0.00 179.25 180.61 1w4a h LYS 8 N 0.81 -0.46 -0.01 0.00 1.57 -1.99 -1.72 116.57 114.77 1w4a h LYS 8 Ca 0.35 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 59.11 1w4a h LYS 8 Cb 0.23 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1w4a h LYS 8 CO -0.20 -0.21 -0.24 0.66 -0.57 0.00 0.00 179.45 178.89 1w4a h SER 9 N -0.65 0.01 -0.26 0.86 4.64 -1.95 -1.25 113.55 114.95 1w4a h SER 9 Ca -0.05 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.13 1w4a h SER 9 Cb 0.47 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1w4a h SER 9 CO 0.08 0.26 -0.38 0.15 -0.87 0.00 0.00 176.83 176.07 1w4a h PHE 10 N 0.01 0.88 -0.96 4.77 3.57 -1.26 -0.73 116.94 123.22 1w4a h PHE 10 Ca 0.00 -0.30 -0.00 0.00 3.53 0.00 0.00 57.97 61.20 1w4a h PHE 10 Cb 0.44 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 1w4a h PHE 10 CO 0.00 1.07 0.59 0.00 -2.23 0.00 0.00 178.31 177.74 1w4a h ALA 11 N 0.66 1.23 -0.59 2.41 0.00 -0.84 -1.15 119.26 120.98 1w4a h ALA 11 Ca 0.03 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1w4a h ALA 11 Cb 0.97 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1w4a h ALA 11 CO 0.09 0.67 -0.03 0.87 0.00 0.00 0.00 179.25 180.85 1w4a h LYS 12 N 1.32 1.06 -0.51 0.00 1.57 -1.01 -2.12 116.57 116.88 1w4a h LYS 12 Ca 0.35 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1w4a h LYS 12 Cb -0.08 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1w4a h LYS 12 CO -0.07 1.06 0.33 1.25 -0.57 0.00 0.00 179.45 181.45 1w4a h LEU 13 N 0.96 0.58 -0.85 2.94 5.85 -0.37 -1.47 115.31 122.94 1w4a h LEU 13 Ca 0.16 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1w4a h LEU 13 Cb 0.60 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1w4a h LEU 13 CO 0.04 0.42 -0.01 0.03 -0.34 0.00 0.00 178.44 178.58 1w4a h ARG 14 N 0.68 0.85 -0.45 1.25 2.47 -1.11 -0.87 114.38 117.19 1w4a h ARG 14 Ca 0.19 -0.24 -0.08 0.00 -1.26 0.00 0.00 59.98 58.59 1w4a h ARG 14 Cb -0.07 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.14 1w4a h ARG 14 CO -0.05 0.85 -0.05 0.00 0.56 0.00 0.00 179.97 181.28 1w4a h ALA 15 N 1.20 1.06 -0.17 0.04 0.00 -0.99 0.16 119.26 120.56 1w4a h ALA 15 Ca 0.15 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 1w4a h ALA 15 Cb 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1w4a h ALA 15 CO 0.02 0.58 -0.68 0.00 0.00 0.00 0.00 179.25 179.17 1w4a h ALA 16 N 1.22 0.48 -0.31 0.00 0.00 -0.97 -1.71 119.26 117.98 1w4a h ALA 16 Ca 0.13 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1w4a h ALA 16 Cb 0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1w4a h ALA 16 CO 0.03 0.70 -0.16 1.96 0.00 0.00 0.00 179.25 181.78 1w4a h GLN 17 N 0.48 0.65 -0.62 0.00 4.20 -0.95 -0.46 115.11 118.41 1w4a h GLN 17 Ca -0.02 -0.29 0.06 0.00 0.06 0.00 0.00 58.65 58.46 1w4a h GLN 17 Cb 1.28 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.99 1w4a h GLN 17 CO 0.13 0.88 0.32 -0.92 -0.67 0.00 0.00 178.83 178.57 1w4a h TYR 18 N 0.40 0.58 -0.30 2.96 5.03 -0.91 -2.00 116.97 122.74 1w4a h TYR 18 Ca 0.07 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.32 1w4a h TYR 18 Cb 0.69 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.78 1w4a h TYR 18 CO 0.06 0.26 -0.16 0.00 -1.32 0.00 0.00 178.16 177.00 1w4a h ALA 19 N 1.34 1.17 -0.13 1.82 0.00 -1.00 -0.98 119.26 121.48 1w4a h ALA 19 Ca 0.28 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1w4a h ALA 19 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1w4a h ALA 19 CO -0.20 0.53 0.16 0.00 0.00 0.00 0.00 179.25 179.73 1w4a h ALA 20 N 1.36 1.71 0.00 0.00 0.00 -0.31 -0.26 119.26 121.76 1w4a h ALA 20 Ca 0.08 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 1w4a h ALA 20 Cb 0.55 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1w4a h ALA 20 CO 0.04 -0.23 -1.69 0.34 0.00 0.00 0.00 179.25 177.71 1w4a n PHE 21 N -3.77 0.00 0.04 0.00 7.35 -0.95 -1.58 117.46 118.55 1w4a n PHE 21 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.58 1w4a n PHE 21 Cb 0.27 -0.70 0.00 0.00 0.35 0.00 0.00 39.48 39.40 1w4a n PHE 21 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1w4a h HIS 22 N -0.93 0.65 0.00 -5.13 3.86 -1.19 -3.40 115.15 109.01 1w4a h HIS 22 Ca -0.33 -0.29 -0.00 0.00 -1.16 0.00 0.00 60.37 58.58 1w4a h HIS 22 Cb 1.25 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.63 1w4a h HIS 22 CO -0.24 1.07 -1.01 0.25 0.86 0.00 0.00 177.93 178.86 1w4a n THR 23 N -3.84 0.01 -1.16 2.45 -2.24 -0.82 -5.05 114.28 103.62 1w4a n THR 23 Ca -0.05 -0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 1w4a n THR 23 Cb 0.73 -0.06 0.11 0.00 -2.10 0.00 0.00 70.33 69.01 1w4a n THR 23 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1w4a n ASP 24 N -1.69 0.19 -4.74 3.42 9.92 -0.17 -4.90 116.55 118.58 1w4a n ASP 24 Ca -0.00 0.58 -0.41 0.00 -0.53 0.00 0.00 54.79 54.43 1w4a n ASP 24 Cb 0.19 -1.40 -0.03 0.00 -0.64 0.00 0.00 41.12 39.24 1w4a n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1w4a s ALA 25 N -2.04 3.49 0.18 2.24 0.00 -1.26 -4.92 121.76 119.45 1w4a s ALA 25 Ca 0.70 1.04 -0.33 0.00 0.00 0.00 0.00 51.96 53.37 1w4a s ALA 25 Cb -0.31 -3.45 -0.14 0.00 0.00 0.00 0.00 23.12 19.22 1w4a s ALA 25 CO 0.54 -0.47 1.50 -2.30 0.00 0.00 0.00 175.76 175.03 1w4a n PRO 26 N 2.59 2.04 -0.96 0.00 -0.02 -1.26 -1.69 135.00 135.70 1w4a n PRO 26 Ca 0.05 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1w4a n PRO 26 Cb 0.44 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1w4a n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w4a n GLY 27 N 2.93 0.87 0.26 -1.23 0.00 -0.65 -4.84 105.19 102.53 1w4a n GLY 27 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 1w4a n GLY 27 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1w4a h SER 28 N 0.00 0.71 -0.55 1.61 4.64 -1.56 -2.51 113.55 115.90 1w4a h SER 28 Ca 0.00 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.04 1w4a h SER 28 Cb 0.01 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 1w4a h SER 28 CO 0.00 0.92 0.22 -0.25 -0.87 0.00 0.00 176.83 176.85 1w4a h TRP 29 N 0.62 0.83 -0.49 4.77 2.91 -1.85 -0.25 115.95 122.49 1w4a h TRP 29 Ca 0.09 -0.06 0.01 0.00 1.13 0.00 0.00 58.89 60.05 1w4a h TRP 29 Cb 0.71 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 29.08 1w4a h TRP 29 CO 0.03 0.67 0.32 0.35 -1.03 0.00 0.00 178.44 178.79 1w4a h PHE 30 N 0.75 0.61 -0.68 2.65 3.57 -1.66 0.36 116.94 122.54 1w4a h PHE 30 Ca 0.18 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.72 1w4a h PHE 30 Cb 0.19 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1w4a h PHE 30 CO 0.01 0.38 0.43 -0.44 -2.23 0.00 0.00 178.31 176.46 1w4a h ASP 31 N 0.65 0.72 -0.36 0.41 3.45 -0.99 0.18 116.42 120.50 1w4a h ASP 31 Ca 0.18 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.60 1w4a h ASP 31 Cb -0.07 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.52 1w4a h ASP 31 CO -0.04 0.51 0.11 -0.74 -1.57 0.00 0.00 179.24 177.50 1w4a h HIS 32 N 0.86 0.58 0.00 4.55 2.76 -0.43 -2.03 115.15 121.44 1w4a h HIS 32 Ca 0.26 -0.06 -0.10 0.00 -2.20 0.00 0.00 60.37 58.28 1w4a h HIS 32 Cb -0.03 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 1w4a h HIS 32 CO -0.04 0.56 -0.45 1.79 -1.30 0.00 0.00 177.93 178.49 1w4a h THR 33 N 0.42 1.31 -0.91 6.26 1.35 -0.46 -1.64 112.91 119.24 1w4a h THR 33 Ca 0.11 -1.56 -0.01 0.00 -0.55 0.00 0.00 66.41 64.40 1w4a h THR 33 Cb 0.26 1.85 -0.04 0.00 -1.73 0.00 0.00 68.15 68.49 1w4a h THR 33 CO -0.00 0.44 0.54 0.28 -0.25 0.00 0.00 175.52 176.53 1w4a h SER 34 N 0.00 1.11 -0.47 5.36 0.02 -0.40 -0.50 113.55 118.66 1w4a h SER 34 Ca -0.00 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1w4a h SER 34 Cb 0.81 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1w4a h SER 34 CO 0.06 0.86 0.17 1.23 -1.14 0.00 0.00 176.83 178.01 1w4a h GLY 35 N 1.27 0.77 1.00 -3.77 0.00 -0.59 -1.67 103.07 100.07 1w4a h GLY 35 Ca 0.33 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1w4a h GLY 35 CO -0.06 0.41 0.33 -2.08 0.00 0.00 0.00 176.54 175.14 1w4a h VAL 36 N 0.62 1.22 -0.64 4.60 2.07 -0.84 -2.35 116.25 120.93 1w4a h VAL 36 Ca 0.15 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 1w4a h VAL 36 Cb 0.23 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1w4a h VAL 36 CO -0.01 0.25 0.08 -0.07 0.02 0.00 0.00 177.57 177.83 1w4a h LEU 37 N 0.90 1.04 -1.01 2.57 3.38 -0.87 -2.81 115.31 118.50 1w4a h LEU 37 Ca 0.23 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1w4a h LEU 37 Cb 0.09 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1w4a h LEU 37 CO -0.03 1.05 0.00 1.05 0.09 0.00 0.00 178.44 180.60 1w4a h GLU 38 N 0.99 0.00 -0.00 1.13 4.11 -1.15 -2.94 114.58 116.72 1w4a h GLU 38 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1w4a h GLU 38 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1w4a h GLU 38 CO 0.02 0.00 -0.25 -1.13 0.07 0.00 0.00 179.01 177.72 1w4a n SER 39 N -2.92 0.53 -4.76 3.06 3.41 -0.90 -4.92 113.62 107.13 1w4a n SER 39 Ca 0.02 -0.38 -0.37 0.00 -0.26 0.00 0.00 58.87 57.88 1w4a n SER 39 Cb 0.34 0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.31 1w4a n SER 39 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1w4a s VAL 40 N -2.73 2.76 0.32 -3.33 1.01 -1.11 -4.96 120.40 112.36 1w4a s VAL 40 Ca 0.20 0.55 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 1w4a s VAL 40 Cb 0.19 -3.27 -0.12 0.00 0.00 0.00 0.00 36.38 33.17 1w4a s VAL 40 CO 0.56 -0.02 1.40 -0.62 0.00 0.00 0.00 175.10 176.42 1w4a n GLU 41 N -0.79 2.29 -1.75 2.72 1.02 -1.26 -4.90 120.64 117.97 1w4a n GLU 41 Ca 0.09 0.81 -0.40 0.00 -0.02 0.00 0.00 57.16 57.64 1w4a n GLU 41 Cb 0.47 -2.46 0.02 0.00 -0.02 0.00 0.00 31.44 29.46 1w4a n GLU 41 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1w4a n ASP 42 N 1.24 3.01 0.00 1.62 8.00 -1.26 -1.69 116.55 127.46 1w4a n ASP 42 Ca 0.06 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.64 1w4a n ASP 42 Cb 0.36 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 39.88 1w4a n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1w4a n GLY 43 N 0.67 0.90 3.72 0.44 0.00 -1.26 -5.00 105.19 104.67 1w4a n GLY 43 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1w4a n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w4a s THR 44 N -3.42 4.31 0.02 2.61 2.01 -0.68 -4.97 115.64 115.52 1w4a s THR 44 Ca 0.00 1.76 -0.30 0.00 0.31 0.00 0.00 61.69 63.46 1w4a s THR 44 Cb 0.00 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 1w4a s THR 44 CO 0.00 0.19 1.63 -2.84 -0.69 0.00 0.00 174.62 172.91 1w4a s PRO 45 N 0.56 4.20 -0.00 4.92 0.02 -1.26 -4.21 135.00 139.23 1w4a s PRO 45 Ca 0.53 2.25 0.04 0.00 0.02 0.00 0.00 61.00 63.84 1w4a s PRO 45 Cb -0.26 -3.72 -0.06 0.00 0.02 0.00 0.00 34.50 30.48 1w4a s PRO 45 CO 0.30 -0.75 0.09 1.33 -0.33 0.00 0.00 177.00 177.64 1w4a n VAL 46 N 4.95 0.00 -3.71 3.83 0.24 -0.37 -4.55 118.33 118.71 1w4a n VAL 46 Ca 0.16 -0.11 -0.11 0.00 -2.04 0.00 0.00 64.34 62.23 1w4a n VAL 46 Cb 0.42 0.46 -0.11 0.00 -1.47 0.00 0.00 33.84 33.14 1w4a n VAL 46 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1w4a s LEU 47 N -3.17 0.16 -0.06 1.34 2.96 -1.07 -0.59 118.68 118.25 1w4a s LEU 47 Ca -0.01 0.79 0.05 0.00 -0.22 0.00 0.00 54.13 54.73 1w4a s LEU 47 Cb 0.02 1.21 -0.00 0.00 0.50 0.00 0.00 46.19 47.92 1w4a s LEU 47 CO 0.15 -0.17 -0.21 0.00 -1.32 0.00 0.00 176.35 174.80 1w4a s ALA 48 N 1.11 1.90 -0.00 5.97 0.00 -0.75 -0.24 121.76 129.74 1w4a s ALA 48 Ca -0.07 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1w4a s ALA 48 Cb -0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 1w4a s ALA 48 CO -0.09 0.32 -0.05 -1.50 0.00 0.00 0.00 175.76 174.44 1w4a s ILE 49 N 0.07 0.41 0.07 0.00 2.07 -0.32 -0.48 121.20 123.01 1w4a s ILE 49 Ca -0.08 -0.27 -0.31 0.00 -1.41 0.00 0.00 60.65 58.59 1w4a s ILE 49 Cb -0.14 -0.36 -0.06 0.00 0.13 0.00 0.00 42.46 42.04 1w4a s ILE 49 CO 0.04 0.08 1.19 -0.83 -1.91 0.00 0.00 174.94 173.51 1w4a s GLY 50 N -0.21 2.44 0.81 1.50 0.00 -1.26 -1.04 107.32 109.57 1w4a s GLY 50 Ca 0.01 0.84 -0.06 0.00 0.00 0.00 0.00 44.72 45.51 1w4a s GLY 50 CO -0.00 2.01 1.12 -1.34 0.00 0.00 0.00 173.10 174.89 1w4a s VAL 51 N 0.99 2.06 0.29 1.40 -7.23 0.90 -4.79 120.40 114.02 1w4a s VAL 51 Ca 0.58 -0.39 0.02 0.00 -1.81 0.00 0.00 61.98 60.38 1w4a s VAL 51 Cb -0.29 -2.67 0.32 0.00 0.56 0.00 0.00 36.38 34.29 1w4a s VAL 51 CO 0.29 0.00 1.63 -0.08 -0.31 0.00 0.00 175.10 176.64 1w4a h GLU 52 N -0.94 0.16 0.00 4.82 4.81 -1.89 -0.68 114.58 120.86 1w4a h GLU 52 Ca -0.39 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1w4a h GLU 52 Cb 1.25 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1w4a h GLU 52 CO 0.38 0.11 0.00 0.66 -0.73 0.00 0.00 179.01 179.43 1w4a h SER 53 N 0.17 0.00 0.00 1.04 4.64 -1.95 -1.73 113.55 115.72 1w4a h SER 53 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1w4a h SER 53 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1w4a h SER 53 CO -0.69 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.88 1w4a n GLY 54 N -0.01 0.55 3.83 -0.77 0.00 -0.27 -4.77 105.19 103.75 1w4a n GLY 54 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1w4a n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w4a s ASP 55 N -1.94 4.86 0.07 1.61 -0.00 -1.26 -4.77 116.67 115.24 1w4a s ASP 55 Ca 0.00 1.27 0.09 0.00 -0.00 0.00 0.00 52.55 53.91 1w4a s ASP 55 Cb 0.00 -2.03 -0.03 0.00 -0.00 0.00 0.00 42.92 40.85 1w4a s ASP 55 CO 0.00 -1.73 -0.25 0.00 -0.00 0.00 0.00 175.17 173.19 1w4a s ALA 56 N -3.22 2.36 0.21 5.23 0.00 -1.26 -0.07 121.76 125.01 1w4a s ALA 56 Ca 0.60 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 51.33 1w4a s ALA 56 Cb -0.13 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1w4a s ALA 56 CO 0.53 0.54 -0.00 0.96 0.00 0.00 0.00 175.76 177.80 1w4a s ILE 57 N -0.90 3.62 0.00 0.00 -4.36 -0.20 -1.93 121.20 117.43 1w4a s ILE 57 Ca 0.13 -1.60 0.06 0.00 -0.26 0.00 0.00 60.65 58.98 1w4a s ILE 57 Cb -0.10 -2.86 -0.02 0.00 1.25 0.00 0.00 42.46 40.73 1w4a s ILE 57 CO 0.04 -0.21 -0.20 -0.69 0.24 0.00 0.00 174.94 174.12 1w4a s VAL 58 N -1.94 1.59 0.22 8.37 1.01 -1.26 -1.18 120.40 127.21 1w4a s VAL 58 Ca 0.29 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.41 1w4a s VAL 58 Cb -0.08 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1w4a s VAL 58 CO 0.19 0.36 -0.18 -0.36 0.00 0.00 0.00 175.10 175.11 1w4a s PHE 59 N -0.57 1.98 0.31 5.22 0.40 0.66 -0.58 117.98 125.41 1w4a s PHE 59 Ca 0.07 -0.45 0.05 0.00 -0.60 0.00 0.00 56.93 56.01 1w4a s PHE 59 Cb -0.08 -0.92 0.05 0.00 0.51 0.00 0.00 43.02 42.58 1w4a s PHE 59 CO 0.00 0.48 0.41 -0.40 0.70 0.00 0.00 175.22 176.42 1w4a n ASP 60 N -0.24 1.22 0.33 1.36 5.68 -0.53 -1.24 116.55 123.13 1w4a n ASP 60 Ca -0.09 -1.85 0.22 0.00 -0.50 0.00 0.00 54.79 52.57 1w4a n ASP 60 Cb 0.59 -0.21 1.15 0.00 -1.14 0.00 0.00 41.12 41.51 1w4a n ASP 60 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1w4a h LYS 61 N 0.00 0.00 -0.60 0.11 2.10 -1.88 -1.92 116.57 114.38 1w4a h LYS 61 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1w4a h LYS 61 Cb 0.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1w4a h LYS 61 CO 0.22 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.76 1w4a n ASN 62 N -3.15 5.58 -2.11 7.07 5.03 -1.26 -4.92 115.26 121.50 1w4a n ASN 62 Ca -0.03 -2.84 -0.19 0.00 0.87 0.00 0.00 54.58 52.39 1w4a n ASN 62 Cb 0.09 -0.67 -0.01 0.00 -1.02 0.00 0.00 39.78 38.17 1w4a n ASN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1w4a n ALA 63 N 0.72 -0.54 -2.76 5.41 0.00 -0.72 -4.99 120.51 117.63 1w4a n ALA 63 Ca 0.27 0.16 -0.35 0.00 0.00 0.00 0.00 53.44 53.52 1w4a n ALA 63 Cb 1.15 -2.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 1w4a n ALA 63 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1w4a s GLN 64 N -4.88 3.28 0.29 0.00 -1.52 -1.26 -4.87 119.66 110.70 1w4a s GLN 64 Ca 0.00 -0.36 -0.29 0.00 -1.95 0.00 0.00 55.36 52.76 1w4a s GLN 64 Cb 0.00 -2.94 -0.10 0.00 -0.22 0.00 0.00 33.01 29.75 1w4a s GLN 64 CO 0.00 0.61 1.28 1.03 -0.25 0.00 0.00 175.29 177.96 1w4a s ARG 65 N -0.61 4.40 -0.34 2.91 0.52 -1.26 -1.46 118.95 123.12 1w4a s ARG 65 Ca 0.11 2.12 -0.13 0.00 -0.52 0.00 0.00 55.73 57.31 1w4a s ARG 65 Cb -0.12 -3.12 -0.02 0.00 0.52 0.00 0.00 34.95 32.22 1w4a s ARG 65 CO 0.02 -0.15 0.25 0.42 0.02 0.00 0.00 175.30 175.87 1w4a s ILE 66 N -0.83 5.27 -0.02 1.52 1.01 0.26 -4.91 121.20 123.51 1w4a s ILE 66 Ca 0.50 -0.17 0.05 0.00 0.00 0.00 0.00 60.65 61.04 1w4a s ILE 66 Cb -0.38 -3.72 -0.24 0.00 0.01 0.00 0.00 42.46 38.13 1w4a s ILE 66 CO 0.47 -0.01 0.76 -0.37 0.00 0.00 0.00 174.94 175.80 1w4a h VAL 67 N 5.49 1.02 -3.32 2.92 -1.51 -1.89 -3.42 116.25 115.54 1w4a h VAL 67 Ca -0.31 -2.78 -0.27 0.00 -1.23 0.00 0.00 66.70 62.11 1w4a h VAL 67 Cb 1.16 2.58 -0.33 0.00 -2.13 0.00 0.00 31.29 32.57 1w4a h VAL 67 CO 0.64 0.70 -0.65 0.00 -1.23 0.00 0.00 177.57 177.03 1w4a s ALA 68 N -2.61 -0.13 -0.23 5.19 0.00 -1.26 -0.15 121.76 122.57 1w4a s ALA 68 Ca -0.08 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 1w4a s ALA 68 Cb 0.08 -0.43 0.12 0.00 0.00 0.00 0.00 23.12 22.89 1w4a s ALA 68 CO 0.82 -0.19 0.40 -0.47 0.00 0.00 0.00 175.76 176.32 1w4a s TYR 69 N 1.29 -0.86 0.27 0.00 6.14 0.78 -4.91 117.35 120.07 1w4a s TYR 69 Ca -0.07 1.10 -0.29 0.00 0.64 0.00 0.00 57.07 58.44 1w4a s TYR 69 Cb -0.12 0.14 -0.09 0.00 0.42 0.00 0.00 41.96 42.30 1w4a s TYR 69 CO -0.05 -0.65 1.18 0.15 0.64 0.00 0.00 175.55 176.82 1w4a s LYS 70 N 2.58 4.53 0.03 4.97 1.02 -1.26 0.14 119.74 131.75 1w4a s LYS 70 Ca 0.09 1.94 -0.12 0.00 0.02 0.00 0.00 55.97 57.90 1w4a s LYS 70 Cb -0.14 -3.17 -0.06 0.00 -0.52 0.00 0.00 37.83 33.94 1w4a s LYS 70 CO -0.15 0.03 0.28 -1.91 -0.92 0.00 0.00 175.35 172.68 1w4a n GLU 71 N 1.38 0.00 -3.45 1.68 2.13 -1.26 -4.82 120.64 116.30 1w4a n GLU 71 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1w4a n GLU 71 Cb 0.44 -0.43 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1w4a n GLU 71 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1w4a s LYS 72 N -0.14 0.55 0.23 5.31 2.36 -0.88 -5.00 119.74 122.17 1w4a s LYS 72 Ca 0.26 1.23 0.06 0.00 -2.55 0.00 0.00 55.97 54.97 1w4a s LYS 72 Cb -0.37 0.67 -0.03 0.00 -1.05 0.00 0.00 37.83 37.04 1w4a s LYS 72 CO 0.19 -0.38 0.26 -1.12 1.55 0.00 0.00 175.35 175.85 1w4a s SER 73 N 2.85 5.90 -0.07 1.43 0.01 -1.26 -2.10 113.70 120.47 1w4a s SER 73 Ca 0.05 -0.08 -0.03 0.00 1.31 0.00 0.00 55.95 57.21 1w4a s SER 73 Cb -0.13 -1.63 0.04 0.00 0.21 0.00 0.00 66.02 64.51 1w4a s SER 73 CO -0.19 -0.03 0.13 -0.69 0.41 0.00 0.00 173.24 172.87 1w4a s VAL 74 N -2.00 -0.14 -0.21 3.43 1.01 0.94 -4.97 120.40 118.47 1w4a s VAL 74 Ca 0.33 0.28 -0.22 0.00 0.00 0.00 0.00 61.98 62.37 1w4a s VAL 74 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 1w4a s VAL 74 CO 0.27 0.11 0.69 -0.75 0.00 0.00 0.00 175.10 175.42 1w4a s LYS 75 N 1.69 4.20 0.50 2.72 2.20 -1.26 0.12 119.74 129.91 1w4a s LYS 75 Ca -0.03 0.71 -0.08 0.00 -0.36 0.00 0.00 55.97 56.20 1w4a s LYS 75 Cb -0.12 -3.60 0.12 0.00 -1.51 0.00 0.00 37.83 32.71 1w4a s LYS 75 CO -0.05 -0.33 0.63 0.00 -0.36 0.00 0.00 175.35 175.24 1w4a n ALA 76 N 5.37 -0.88 0.23 3.13 0.00 0.73 -4.96 120.51 124.12 1w4a n ALA 76 Ca 0.01 -0.84 -0.14 0.00 0.00 0.00 0.00 53.44 52.47 1w4a n ALA 76 Cb 0.49 -0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 1w4a n ALA 76 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1w4a h GLU 77 N 0.00 -0.58 0.00 0.00 4.81 -1.97 -3.02 114.58 113.82 1w4a h GLU 77 Ca -0.21 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1w4a h GLU 77 Cb 0.58 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1w4a h GLU 77 CO 0.15 -0.28 0.00 -0.40 -0.73 0.00 0.00 179.01 177.75 1w4a n ASP 78 N -5.24 0.00 0.00 1.04 3.85 -1.26 -4.74 116.55 110.20 1w4a n ASP 78 Ca -0.10 -0.09 0.00 0.00 -0.71 0.00 0.00 54.79 53.88 1w4a n ASP 78 Cb 0.30 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.07 1w4a n ASP 78 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1w4a n GLY 79 N -0.80 0.79 3.70 6.12 0.00 -1.14 -5.05 105.19 108.81 1w4a n GLY 79 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1w4a n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w4a s SER 80 N -2.66 2.97 -0.04 1.61 1.04 -1.26 -4.72 113.70 110.64 1w4a s SER 80 Ca 0.00 1.29 0.03 0.00 0.48 0.00 0.00 55.95 57.76 1w4a s SER 80 Cb 0.00 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.16 1w4a s SER 80 CO 0.00 -2.93 -0.14 -0.69 0.98 0.00 0.00 173.24 170.46 1w4a s VAL 81 N -2.96 1.16 -0.14 5.02 1.01 -1.26 -0.19 120.40 123.04 1w4a s VAL 81 Ca 0.65 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 1w4a s VAL 81 Cb -0.18 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1w4a s VAL 81 CO 0.57 0.35 -0.03 -0.55 0.00 0.00 0.00 175.10 175.44 1w4a s SER 82 N 0.15 4.90 -0.03 3.32 0.15 0.12 -4.93 113.70 117.38 1w4a s SER 82 Ca -0.04 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.59 1w4a s SER 82 Cb -0.11 -1.67 -0.00 0.00 -1.71 0.00 0.00 66.02 62.53 1w4a s SER 82 CO 0.02 0.23 -0.15 -0.69 1.20 0.00 0.00 173.24 173.84 1w4a s VAL 83 N 0.02 1.22 -0.06 4.45 1.01 -1.26 -0.04 120.40 125.73 1w4a s VAL 83 Ca 0.01 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1w4a s VAL 83 Cb -0.13 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1w4a s VAL 83 CO 0.02 0.35 -0.12 -0.69 0.00 0.00 0.00 175.10 174.67 1w4a s VAL 84 N -0.07 1.11 -0.14 2.92 1.01 -0.89 -2.33 120.40 122.01 1w4a s VAL 84 Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1w4a s VAL 84 Cb -0.09 -1.02 0.05 0.00 0.00 0.00 0.00 36.38 35.33 1w4a s VAL 84 CO 0.01 0.35 0.34 -1.58 0.00 0.00 0.00 175.10 174.21 1w4a s GLN 85 N 0.61 0.31 -0.08 2.72 0.74 -0.29 -2.06 119.66 121.61 1w4a s GLN 85 Ca -0.13 0.67 0.04 0.00 0.05 0.00 0.00 55.36 55.99 1w4a s GLN 85 Cb -0.15 -0.06 0.00 0.00 1.10 0.00 0.00 33.01 33.90 1w4a s GLN 85 CO 0.03 -0.16 -0.19 0.08 -0.55 0.00 0.00 175.29 174.50 1w4a s VAL 86 N 1.33 1.67 -0.02 1.34 1.01 0.12 0.88 120.40 126.73 1w4a s VAL 86 Ca -0.09 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1w4a s VAL 86 Cb -0.09 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.84 1w4a s VAL 86 CO -0.11 0.47 -0.04 -0.70 0.00 0.00 0.00 175.10 174.73 1w4a s GLU 87 N 0.34 0.44 -1.72 2.72 2.12 -0.38 -0.16 118.70 122.07 1w4a s GLU 87 Ca -0.14 -0.10 -0.18 0.00 0.36 0.00 0.00 54.97 54.91 1w4a s GLU 87 Cb -0.16 -0.48 0.16 0.00 0.26 0.00 0.00 34.13 33.92 1w4a s GLU 87 CO 0.06 0.02 0.74 0.09 -0.54 0.00 0.00 175.26 175.62 1w4a n ASN 88 N 3.42 -2.94 0.00 -1.70 4.13 -1.05 -0.57 115.26 116.54 1w4a n ASN 88 Ca -0.18 -1.05 0.00 0.00 1.68 0.00 0.00 54.58 55.03 1w4a n ASN 88 Cb 0.55 -2.61 0.00 0.00 -1.54 0.00 0.00 39.78 36.19 1w4a n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1w4a n GLY 89 N -1.40 0.93 3.25 7.41 0.00 0.79 -5.02 105.19 111.15 1w4a n GLY 89 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1w4a n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1w4a s PHE 90 N -3.77 1.86 -0.03 1.61 0.40 0.26 -4.54 117.98 113.78 1w4a s PHE 90 Ca 0.00 -0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 55.66 1w4a s PHE 90 Cb 0.00 -1.13 -0.07 0.00 0.51 0.00 0.00 43.02 42.33 1w4a s PHE 90 CO 0.00 0.07 1.85 1.41 0.70 0.00 0.00 175.22 179.25 1w4a s MET 91 N -1.03 4.07 -0.10 0.44 -2.45 -0.81 -1.25 119.30 118.17 1w4a s MET 91 Ca 0.08 2.37 -0.02 0.00 -1.25 0.00 0.00 55.69 56.86 1w4a s MET 91 Cb -0.09 -4.11 -0.25 0.00 1.25 0.00 0.00 34.83 31.63 1w4a s MET 91 CO 0.01 -1.01 0.43 1.17 1.05 0.00 0.00 175.02 176.67 1w4a n LYS 92 N 7.48 0.73 -4.00 4.11 3.00 0.25 -4.77 118.16 124.96 1w4a n LYS 92 Ca 0.19 0.27 -0.13 0.00 -0.00 0.00 0.00 58.31 58.65 1w4a n LYS 92 Cb 0.42 -1.73 -0.13 0.00 0.00 0.00 0.00 35.03 33.59 1w4a n LYS 92 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1w4a s GLN 93 N -2.57 0.25 0.00 1.64 -0.21 -0.86 -4.95 119.66 112.97 1w4a s GLN 93 Ca -0.18 -0.27 0.00 0.00 0.02 0.00 0.00 55.36 54.92 1w4a s GLN 93 Cb 0.07 -0.13 0.00 0.00 1.00 0.00 0.00 33.01 33.95 1w4a s GLN 93 CO 0.78 0.03 0.00 0.41 -2.12 0.00 0.00 175.29 174.39 1w4a n GLY 94 N 2.54 0.87 3.20 3.09 0.00 -0.99 -1.13 105.19 112.78 1w4a n GLY 94 Ca -0.16 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.77 1w4a n GLY 94 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1w4a s HIS 95 N -2.06 1.11 0.31 1.61 -3.43 -1.26 -5.03 115.29 106.54 1w4a s HIS 95 Ca 0.00 -1.27 -0.25 0.00 -0.80 0.00 0.00 55.06 52.73 1w4a s HIS 95 Cb 0.00 -0.59 -0.10 0.00 -1.43 0.00 0.00 32.58 30.47 1w4a s HIS 95 CO 0.00 -0.52 0.92 1.03 -2.00 0.00 0.00 174.74 174.17 1w4a s ARG 96 N -4.09 4.54 0.00 -0.38 0.52 -1.26 -4.64 118.95 113.65 1w4a s ARG 96 Ca 0.32 1.27 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 1w4a s ARG 96 Cb 0.07 -2.79 0.00 0.00 0.52 0.00 0.00 34.95 32.75 1w4a s ARG 96 CO 0.08 0.29 0.00 0.41 0.02 0.00 0.00 175.30 176.10 1w4a n GLY 97 N 0.55 -0.24 3.72 -3.53 0.00 0.36 -4.95 105.19 101.10 1w4a n GLY 97 Ca 0.02 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 1w4a n GLY 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1w4a s TRP 98 N 0.00 3.20 -2.38 1.61 0.52 -1.26 -1.80 118.94 118.82 1w4a s TRP 98 Ca 0.00 0.87 0.26 0.00 0.02 0.00 0.00 56.10 57.25 1w4a s TRP 98 Cb 0.00 -3.74 0.58 0.00 -1.15 0.00 0.00 33.47 29.15 1w4a s TRP 98 CO 0.00 -2.64 1.46 1.28 0.02 0.00 0.00 176.95 177.07 1w4a n LEU 99 N 3.93 1.88 -4.23 2.99 4.77 0.25 -4.86 117.00 121.72 1w4a n LEU 99 Ca 0.12 -0.62 -0.18 0.00 -0.03 0.00 0.00 56.01 55.30 1w4a n LEU 99 Cb 0.41 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.36 1w4a n LEU 99 CO 0.59 0.32 -0.45 0.68 -1.33 0.00 0.00 177.39 177.21 1w4a s VAL 100 N -2.20 1.27 -0.26 4.08 -7.23 -1.26 -4.90 120.40 109.91 1w4a s VAL 100 Ca 0.29 -1.68 -0.29 0.00 -1.81 0.00 0.00 61.98 58.48 1w4a s VAL 100 Cb 0.20 -1.49 0.01 0.00 0.56 0.00 0.00 36.38 35.66 1w4a s VAL 100 CO 0.41 -0.42 1.11 -0.62 -0.31 0.00 0.00 175.10 175.27 1w4a s ASP 101 N -2.41 6.97 -0.21 4.85 2.15 -1.26 -4.88 116.67 121.89 1w4a s ASP 101 Ca 0.08 1.28 0.02 0.00 0.43 0.00 0.00 52.55 54.36 1w4a s ASP 101 Cb -0.05 -2.54 -0.14 0.00 -0.30 0.00 0.00 42.92 39.89 1w4a s ASP 101 CO 0.03 -0.80 -0.17 0.18 -0.17 0.00 0.00 175.17 174.23 1w4a n LEU 102 N 6.70 2.87 -0.02 -1.34 4.77 -1.26 -4.80 117.00 123.92 1w4a n LEU 102 Ca 0.13 -0.11 -0.01 0.00 -0.03 0.00 0.00 56.01 55.99 1w4a n LEU 102 Cb 0.46 -0.68 -0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1w4a n LEU 102 CO 0.56 0.83 0.03 0.71 -1.33 0.00 0.00 177.39 178.19 1w4a h THR 103 N 0.00 0.00 0.00 -5.08 1.35 -1.85 -3.47 112.91 103.86 1w4a h THR 103 Ca -0.46 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1w4a h THR 103 Cb 1.73 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1w4a h THR 103 CO -0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.81 1w4a n GLY 104 N 1.68 0.99 0.08 5.82 0.00 -1.26 -3.90 105.19 108.60 1w4a n GLY 104 Ca -0.01 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.69 1w4a n GLY 104 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1w4a n GLU 105 N 1.10 0.19 -2.88 1.61 1.02 -1.26 -4.48 120.64 115.95 1w4a n GLU 105 Ca 0.00 0.21 -0.44 0.00 -0.02 0.00 0.00 57.16 56.92 1w4a n GLU 105 Cb 0.00 -1.75 -0.02 0.00 -0.02 0.00 0.00 31.44 29.65 1w4a n GLU 105 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1w4a s LEU 106 N -4.17 4.83 0.41 -4.62 2.96 -1.25 -4.98 118.68 111.86 1w4a s LEU 106 Ca 0.10 -2.19 0.07 0.00 -0.22 0.00 0.00 54.13 51.89 1w4a s LEU 106 Cb 0.13 -2.43 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 1w4a s LEU 106 CO 0.54 -1.05 0.15 0.68 -1.32 0.00 0.00 176.35 175.35 1w4a s VAL 107 N 2.78 2.32 -0.99 1.68 -7.23 -1.26 -4.75 120.40 112.95 1w4a s VAL 107 Ca 0.37 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1w4a s VAL 107 Cb -0.03 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.92 1w4a s VAL 107 CO -0.07 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.31 1w4a n GLY 108 N -1.20 0.23 3.94 2.32 0.00 -1.26 -4.94 105.19 104.28 1w4a n GLY 108 Ca -0.02 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 1w4a n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w4a n SER 110 N -1.54 1.65 -4.66 0.00 7.64 -1.26 -4.88 113.62 110.57 1w4a n SER 110 Ca -0.01 -2.93 -0.50 0.00 1.01 0.00 0.00 58.87 56.44 1w4a n SER 110 Cb 0.59 -0.66 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 1w4a n SER 110 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1w4a n PRO 111 N 1.81 1.73 -1.68 1.43 -0.02 -1.26 -4.30 135.00 132.71 1w4a n PRO 111 Ca 0.25 0.63 -0.44 0.00 -2.02 0.00 0.00 63.50 61.92 1w4a n PRO 111 Cb 0.44 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1w4a n PRO 111 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1w4a n VAL 112 N 3.87 0.54 -0.03 -1.45 3.14 -0.62 -1.15 118.33 122.65 1w4a n VAL 112 Ca 0.21 -0.10 -0.07 0.00 -2.96 0.00 0.00 64.34 61.41 1w4a n VAL 112 Cb 0.24 -2.12 -0.14 0.00 -1.06 0.00 0.00 33.84 30.76 1w4a n VAL 112 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1w4a n VAL 113 N 5.04 1.50 -3.68 1.55 3.14 0.73 -1.63 118.33 124.99 1w4a n VAL 113 Ca 0.20 -0.79 -0.03 0.00 -2.96 0.00 0.00 64.34 60.76 1w4a n VAL 113 Cb 0.37 -0.90 -0.01 0.00 -1.06 0.00 0.00 33.84 32.24 1w4a n VAL 113 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1w4a s ALA 114 N -2.63 -1.87 -0.04 1.55 0.00 -1.17 -3.15 121.76 114.44 1w4a s ALA 114 Ca -0.05 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.41 1w4a s ALA 114 Cb 0.08 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.69 1w4a s ALA 114 CO 0.83 -0.98 -0.13 -2.00 0.00 0.00 0.00 175.76 173.48 1w4a s GLU 115 N -2.96 1.45 -0.19 0.00 2.12 -1.26 -0.06 118.70 117.79 1w4a s GLU 115 Ca 0.12 -0.44 -0.14 0.00 0.36 0.00 0.00 54.97 54.87 1w4a s GLU 115 Cb 0.01 -1.26 0.06 0.00 0.26 0.00 0.00 34.13 33.19 1w4a s GLU 115 CO -0.01 0.13 0.48 0.12 -0.54 0.00 0.00 175.26 175.44 1w4a s PHE 116 N 0.27 -0.63 -1.82 5.30 5.36 0.27 -4.91 117.98 121.82 1w4a s PHE 116 Ca -0.06 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.30 1w4a s PHE 116 Cb -0.12 0.27 0.00 0.00 -0.34 0.00 0.00 43.02 42.84 1w4a s PHE 116 CO 0.02 -0.32 0.00 0.41 -1.46 0.00 0.00 175.22 173.86 1w4a n GLY 117 N 3.57 0.58 1.34 13.12 0.00 -1.26 -1.53 105.19 121.02 1w4a n GLY 117 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1w4a n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w4a n GLY 118 N -0.69 0.72 3.24 -0.02 0.00 -1.26 -4.77 105.19 102.41 1w4a n GLY 118 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1w4a n GLY 118 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1w4a s HIS 119 N -2.24 1.72 0.07 1.61 3.76 -0.58 -5.13 115.29 114.50 1w4a s HIS 119 Ca 0.00 -0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 54.43 1w4a s HIS 119 Cb 0.00 -1.01 -0.06 0.00 1.11 0.00 0.00 32.58 32.62 1w4a s HIS 119 CO 0.00 0.10 0.41 1.03 -0.85 0.00 0.00 174.74 175.43 1w4a s ARG 120 N -1.28 3.78 -0.01 1.40 0.52 -1.26 -0.57 118.95 121.53 1w4a s ARG 120 Ca 0.06 0.21 0.08 0.00 -0.52 0.00 0.00 55.73 55.57 1w4a s ARG 120 Cb -0.09 -3.02 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 1w4a s ARG 120 CO 0.02 0.57 -0.25 0.71 0.02 0.00 0.00 175.30 176.37 1w4a s TYR 121 N -1.37 2.35 0.43 -0.53 2.02 0.91 -4.98 117.35 116.18 1w4a s TYR 121 Ca 0.32 -0.42 -0.14 0.00 -0.37 0.00 0.00 57.07 56.46 1w4a s TYR 121 Cb -0.14 -1.49 -0.08 0.00 -0.40 0.00 0.00 41.96 39.85 1w4a s TYR 121 CO 0.18 -0.01 0.84 0.00 -1.57 0.00 0.00 175.55 174.99 1w4a s ALA 122 N -0.64 3.23 0.88 3.71 0.00 -1.26 -0.20 121.76 127.49 1w4a s ALA 122 Ca 0.10 0.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.01 1w4a s ALA 122 Cb -0.10 -2.88 0.10 0.00 0.00 0.00 0.00 23.12 20.24 1w4a s ALA 122 CO -0.01 -0.01 0.58 -1.13 0.00 0.00 0.00 175.76 175.20 1w4a n SER 123 N -1.16 0.20 0.00 0.00 3.41 -0.30 -4.57 113.62 111.20 1w4a n SER 123 Ca 0.04 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 1w4a n SER 123 Cb 0.54 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1w4a n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w4a n GLY 124 N 1.08 -1.46 3.75 5.00 0.00 -0.07 -4.75 105.19 108.74 1w4a n GLY 124 Ca 0.08 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 1w4a n GLY 124 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1w4a s MET 125 N 0.00 3.92 -0.20 1.61 -2.45 -1.26 -1.22 119.30 119.70 1w4a s MET 125 Ca 0.00 -0.23 -0.01 0.00 -1.25 0.00 0.00 55.69 54.20 1w4a s MET 125 Cb 0.00 -3.30 0.00 0.00 1.25 0.00 0.00 34.83 32.78 1w4a s MET 125 CO 0.00 0.43 -0.12 0.08 1.05 0.00 0.00 175.02 176.46 1w4a s VAL 126 N -0.04 2.74 -0.18 10.11 1.01 0.34 0.79 120.40 135.16 1w4a s VAL 126 Ca 0.09 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 1w4a s VAL 126 Cb -0.11 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1w4a s VAL 126 CO 0.00 0.48 0.05 -0.63 0.00 0.00 0.00 175.10 175.00 1w4a s ILE 127 N 1.34 4.60 -0.24 2.22 1.01 -1.01 -0.44 121.20 128.68 1w4a s ILE 127 Ca 0.05 -0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 1w4a s ILE 127 Cb -0.14 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 1w4a s ILE 127 CO -0.07 0.45 0.06 -0.69 0.00 0.00 0.00 174.94 174.69 1w4a s VAL 128 N 0.50 4.32 0.03 2.92 1.01 0.64 -0.91 120.40 128.91 1w4a s VAL 128 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 1w4a s VAL 128 Cb -0.13 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1w4a s VAL 128 CO 0.01 0.36 0.05 1.07 0.00 0.00 0.00 175.10 176.59 1w4a n THR 129 N 4.73 0.00 0.00 3.92 5.66 -0.51 0.15 114.28 128.23 1w4a n THR 129 Ca -0.16 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 1w4a n THR 129 Cb 0.52 0.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 1w4a n THR 129 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1w4a n GLY 130 N -0.04 2.22 2.60 1.09 0.00 -1.26 -2.09 105.19 107.72 1w4a n GLY 130 Ca -0.00 -2.05 -0.18 0.00 0.00 0.00 0.00 46.02 43.78 1w4a n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1w4a n LYS 131 N -1.38 0.94 0.00 1.61 5.02 -1.26 -4.47 118.16 118.62 1w4a n LYS 131 Ca 0.00 -2.36 0.00 0.00 -2.02 0.00 0.00 58.31 53.93 1w4a n LYS 131 Cb 0.00 0.27 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 1w4a n LYS 131 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1w4a n GLY 132 N 0.47 -3.02 0.14 0.72 0.00 -1.26 -4.67 105.19 97.58 1w4a n GLY 132 Ca -0.02 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.20 1w4a n GLY 132 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1w4a h ASN 133 N 0.00 0.00 -2.56 1.61 2.35 -1.97 -3.46 115.58 111.55 1w4a h ASN 133 Ca 0.00 -0.03 -0.53 0.00 -0.55 0.00 0.00 56.30 55.19 1w4a h ASN 133 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.39 1w4a h ASN 133 CO 0.00 0.01 1.10 -0.44 -1.65 0.00 0.00 177.43 176.45 1w4a s SER 134 N -5.19 6.54 0.12 5.81 0.01 -1.26 -4.94 113.70 114.79 1w4a s SER 134 Ca 0.08 2.54 -0.30 0.00 1.31 0.00 0.00 55.95 59.58 1w4a s SER 134 Cb 0.09 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.71 1w4a s SER 134 CO 0.66 -0.96 1.11 -0.83 0.41 0.00 0.00 173.24 173.63 1w4a s GLY 135 N 3.14 2.73 -0.06 3.44 0.00 -1.26 -4.98 107.32 110.33 1w4a s GLY 135 Ca 0.79 0.78 -0.22 0.00 0.00 0.00 0.00 44.72 46.07 1w4a s GLY 135 CO 0.35 1.76 0.85 0.50 0.00 0.00 0.00 173.10 176.57 1w4a h LYS 136 N 5.84 0.27 -0.46 2.90 1.57 -1.96 -3.18 116.57 121.54 1w4a h LYS 136 Ca -0.43 -0.46 0.06 0.00 -1.87 0.00 0.00 60.65 57.95 1w4a h LYS 136 Cb 1.21 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.64 1w4a h LYS 136 CO 0.75 1.22 0.16 1.15 -0.57 0.00 0.00 179.45 182.17 1w4a h THR 137 N -0.43 0.85 -0.33 -0.16 2.02 -1.98 0.27 112.91 113.15 1w4a h THR 137 Ca -0.14 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 1w4a h THR 137 Cb 1.59 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1w4a h THR 137 CO 0.13 0.06 -0.02 -0.65 0.37 0.00 0.00 175.52 175.41 1w4a h PRO 138 N 0.34 0.52 -0.22 6.66 0.11 -1.90 -2.89 132.00 134.62 1w4a h PRO 138 Ca 0.22 -0.12 -0.05 0.00 0.11 0.00 0.00 66.00 66.16 1w4a h PRO 138 Cb 0.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1w4a h PRO 138 CO -0.22 0.56 -0.07 1.25 -0.21 0.00 0.00 178.00 179.32 1w4a h LEU 139 N 0.50 0.44 -1.22 2.35 7.12 -1.20 -1.93 115.31 121.36 1w4a h LEU 139 Ca 0.10 -0.38 -0.03 0.00 0.13 0.00 0.00 57.88 57.71 1w4a h LEU 139 Cb 0.36 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.34 1w4a h LEU 139 CO 0.01 0.72 0.21 -0.37 -0.13 0.00 0.00 178.44 178.88 1w4a h VAL 140 N 0.16 1.19 -0.28 1.05 -1.51 -0.87 -0.53 116.25 115.47 1w4a h VAL 140 Ca 0.05 -0.60 -0.16 0.00 -1.23 0.00 0.00 66.70 64.77 1w4a h VAL 140 Cb 0.53 0.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.25 1w4a h VAL 140 CO 0.02 0.24 -0.47 0.45 -1.23 0.00 0.00 177.57 176.58 1w4a h HIS 141 N 0.75 0.89 -0.31 5.19 3.86 -1.47 0.10 115.15 124.17 1w4a h HIS 141 Ca 0.18 -0.29 -0.12 0.00 -1.16 0.00 0.00 60.37 58.98 1w4a h HIS 141 Cb 0.15 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1w4a h HIS 141 CO 0.01 1.06 -0.30 0.00 0.86 0.00 0.00 177.93 179.56 1w4a h ALA 142 N 0.89 0.91 -0.23 2.45 0.00 -0.84 -1.31 119.26 121.13 1w4a h ALA 142 Ca 0.03 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 1w4a h ALA 142 Cb 1.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1w4a h ALA 142 CO 0.10 0.62 -0.34 1.25 0.00 0.00 0.00 179.25 180.88 1w4a h LEU 143 N 0.55 0.70 -0.79 0.00 6.46 -0.99 -0.57 115.31 120.66 1w4a h LEU 143 Ca 0.07 -0.51 0.04 0.00 -0.12 0.00 0.00 57.88 57.35 1w4a h LEU 143 Cb 0.79 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.46 1w4a h LEU 143 CO 0.06 1.08 0.50 1.23 -0.62 0.00 0.00 178.44 180.70 1w4a h GLY 144 N 0.35 1.16 0.91 3.75 0.00 -0.66 0.26 103.07 108.83 1w4a h GLY 144 Ca 0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 1w4a h GLY 144 CO 0.08 0.31 -0.25 -2.09 0.00 0.00 0.00 176.54 174.59 1w4a h GLU 145 N 0.97 0.60 -0.42 4.80 4.22 -1.15 -1.65 114.58 121.95 1w4a h GLU 145 Ca 0.32 -0.32 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 1w4a h GLU 145 Cb 0.04 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1w4a h GLU 145 CO -0.12 0.92 0.20 0.00 -2.18 0.00 0.00 179.01 177.83 1w4a h ALA 146 N 0.67 0.54 0.00 2.92 0.00 -0.73 -2.67 119.26 119.99 1w4a h ALA 146 Ca 0.04 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1w4a h ALA 146 Cb 0.82 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1w4a h ALA 146 CO 0.06 0.10 -0.34 -0.07 0.00 0.00 0.00 179.25 179.00 1w4a h LEU 147 N 0.54 0.00 -1.10 0.00 3.38 -1.01 -2.84 115.31 114.29 1w4a h LEU 147 Ca 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1w4a h LEU 147 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1w4a h LEU 147 CO -0.02 0.34 0.13 1.23 0.09 0.00 0.00 178.44 180.21 1w4a h GLY 148 N 3.07 0.82 0.00 0.83 0.00 -1.08 -3.46 103.07 103.26 1w4a h GLY 148 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1w4a h GLY 148 CO 0.04 0.43 0.00 0.61 0.00 0.00 0.00 176.54 177.63 1w4a n GLY 149 N -0.91 1.26 0.21 4.60 0.00 -1.03 -0.81 105.19 108.52 1w4a n GLY 149 Ca 0.04 0.35 0.11 0.00 0.00 0.00 0.00 46.02 46.52 1w4a n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w4a h LYS 150 N 0.00 0.00 -6.18 1.61 1.57 -1.90 -3.46 116.57 108.21 1w4a h LYS 150 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1w4a h LYS 150 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1w4a h LYS 150 CO 0.00 0.04 -0.35 -0.51 -0.57 0.00 0.00 179.45 178.06 1w4a s ASP 151 N -6.23 6.39 0.62 0.86 -0.00 0.01 -5.10 116.67 113.24 1w4a s ASP 151 Ca 0.07 0.39 -0.13 0.00 -0.00 0.00 0.00 52.55 52.88 1w4a s ASP 151 Cb 0.05 -2.00 -0.03 0.00 -0.00 0.00 0.00 42.92 40.94 1w4a s ASP 151 CO 0.68 -0.01 1.04 -0.54 -0.00 0.00 0.00 175.17 176.33 1w4a s LYS 152 N -3.20 3.38 0.15 8.23 1.02 -1.26 -4.47 119.74 123.59 1w4a s LYS 152 Ca 0.38 0.93 0.05 0.00 0.02 0.00 0.00 55.97 57.36 1w4a s LYS 152 Cb -0.11 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.11 1w4a s LYS 152 CO 0.28 -0.74 0.07 1.52 -0.92 0.00 0.00 175.35 175.56 1w4a s TYR 153 N -2.92 3.05 -0.07 3.18 1.13 -1.26 -4.76 117.35 115.69 1w4a s TYR 153 Ca 0.58 -0.04 -0.12 0.00 -1.41 0.00 0.00 57.07 56.08 1w4a s TYR 153 Cb -0.13 -1.49 -0.05 0.00 -1.10 0.00 0.00 41.96 39.19 1w4a s TYR 153 CO 0.48 0.51 0.29 0.00 -2.51 0.00 0.00 175.55 174.32 1w4a s ALA 154 N -1.64 3.75 -0.17 9.51 0.00 -0.29 -4.98 121.76 127.94 1w4a s ALA 154 Ca 0.29 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 1w4a s ALA 154 Cb -0.10 -2.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.78 1w4a s ALA 154 CO 0.21 0.46 -0.14 0.99 0.00 0.00 0.00 175.76 177.28 1w4a s THR 155 N -0.78 2.71 -0.26 0.00 2.01 -1.26 -0.43 115.64 117.63 1w4a s THR 155 Ca 0.19 -0.74 -0.07 0.00 0.31 0.00 0.00 61.69 61.38 1w4a s THR 155 Cb -0.14 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1w4a s THR 155 CO 0.08 0.50 0.06 -0.69 -0.69 0.00 0.00 174.62 173.89 1w4a s VAL 156 N 0.96 4.07 -0.18 3.82 1.01 0.37 -4.98 120.40 125.47 1w4a s VAL 156 Ca -0.02 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1w4a s VAL 156 Cb -0.15 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1w4a s VAL 156 CO -0.02 0.26 0.05 -0.13 0.00 0.00 0.00 175.10 175.26 1w4a s ARG 157 N 1.56 3.91 -0.17 2.72 0.52 -1.26 -0.76 118.95 125.46 1w4a s ARG 157 Ca 0.05 -0.37 -0.15 0.00 -0.52 0.00 0.00 55.73 54.75 1w4a s ARG 157 Cb -0.16 -3.16 0.05 0.00 0.52 0.00 0.00 34.95 32.20 1w4a s ARG 157 CO 0.02 0.29 0.46 0.12 0.02 0.00 0.00 175.30 176.20 1w4a s PHE 158 N 0.32 -0.53 -1.55 -0.53 5.36 -1.07 -3.95 117.98 116.02 1w4a s PHE 158 Ca 0.02 1.26 -0.03 0.00 -0.96 0.00 0.00 56.93 57.22 1w4a s PHE 158 Cb -0.13 0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.76 1w4a s PHE 158 CO 0.01 -0.27 0.39 0.41 -1.46 0.00 0.00 175.22 174.30 1w4a n GLY 159 N 3.11 -0.46 3.37 13.12 0.00 -0.69 -4.42 105.19 119.22 1w4a n GLY 159 Ca -0.15 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1w4a n GLY 159 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w4a s GLU 160 N -5.42 2.03 0.00 1.61 0.41 -1.26 -4.79 118.70 111.27 1w4a s GLU 160 Ca 0.19 -0.98 -0.05 0.00 -0.41 0.00 0.00 54.97 53.72 1w4a s GLU 160 Cb -0.08 -2.09 -0.23 0.00 -1.78 0.00 0.00 34.13 29.95 1w4a s GLU 160 CO 0.24 0.55 3.23 -0.35 -0.49 0.00 0.00 175.26 178.44 1w4a n PRO 161 N 1.99 1.75 -4.46 0.39 -0.04 -1.26 -4.74 135.00 128.63 1w4a n PRO 161 Ca -0.16 -0.86 -0.24 0.00 -0.04 0.00 0.00 63.50 62.20 1w4a n PRO 161 Cb 0.52 -1.91 -0.10 0.00 -0.04 0.00 0.00 33.50 31.96 1w4a n PRO 161 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1w4a s LEU 162 N 0.00 2.60 0.48 1.53 1.43 -1.26 -5.12 118.68 118.34 1w4a s LEU 162 Ca 0.58 -1.04 -0.24 0.00 -1.03 0.00 0.00 54.13 52.39 1w4a s LEU 162 Cb 0.27 -1.06 -0.07 0.00 0.03 0.00 0.00 46.19 45.37 1w4a s LEU 162 CO 0.00 0.00 1.38 -0.94 0.23 0.00 0.00 176.35 177.02 1w4a s SER 163 N -3.50 5.72 0.00 2.29 1.04 -1.26 -2.95 113.70 115.04 1w4a s SER 163 Ca 0.30 2.81 0.00 0.00 0.48 0.00 0.00 55.95 59.54 1w4a s SER 163 Cb -0.04 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1w4a s SER 163 CO 0.14 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.70 1w4a n GLY 164 N 0.63 0.25 3.67 7.32 0.00 -1.26 -4.98 105.19 110.82 1w4a n GLY 164 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1w4a n GLY 164 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w4a s TYR 165 N -1.51 3.43 0.30 1.61 2.02 -1.15 -5.04 117.35 117.01 1w4a s TYR 165 Ca 0.00 1.04 -0.28 0.00 -0.37 0.00 0.00 57.07 57.46 1w4a s TYR 165 Cb 0.00 -2.83 -0.09 0.00 -0.40 0.00 0.00 41.96 38.64 1w4a s TYR 165 CO 0.00 -0.12 1.09 1.21 -1.57 0.00 0.00 175.55 176.16 1w4a s ASN 166 N 1.09 7.17 0.00 2.29 2.47 -1.25 -4.84 114.94 121.86 1w4a s ASN 166 Ca 0.32 2.23 0.00 0.00 0.42 0.00 0.00 52.86 55.83 1w4a s ASN 166 Cb -0.16 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.02 1w4a s ASN 166 CO 0.12 -0.21 0.71 0.35 -3.72 0.00 0.00 177.10 174.35 1w4a n THR 167 N 0.96 0.50 -3.23 -5.21 -2.24 -1.26 -1.70 114.28 102.09 1w4a n THR 167 Ca -0.00 -0.64 -0.40 0.00 -2.27 0.00 0.00 64.05 60.74 1w4a n THR 167 Cb 0.46 0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 69.44 1w4a n THR 167 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1w4a s ASP 168 N -0.50 6.42 0.29 3.42 -1.08 -1.26 -4.86 116.67 119.10 1w4a s ASP 168 Ca 0.00 0.47 0.00 0.00 -0.52 0.00 0.00 52.55 52.51 1w4a s ASP 168 Cb 0.00 -2.28 0.51 0.00 -1.46 0.00 0.00 42.92 39.69 1w4a s ASP 168 CO 0.00 -0.31 1.88 0.15 0.52 0.00 0.00 175.17 177.41 1w4a h PHE 169 N 8.06 1.13 0.00 -5.34 3.57 -1.99 -2.11 116.94 120.25 1w4a h PHE 169 Ca -0.29 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.16 1w4a h PHE 169 Cb 1.14 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1w4a h PHE 169 CO 0.75 0.54 -0.37 -0.91 -2.23 0.00 0.00 178.31 176.09 1w4a h ASN 170 N 1.06 0.00 0.39 0.41 2.35 -1.96 -1.63 115.58 116.20 1w4a h ASN 170 Ca 0.44 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 56.00 1w4a h ASN 170 Cb 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1w4a h ASN 170 CO -0.19 0.37 -0.78 0.58 -1.65 0.00 0.00 177.43 175.75 1w4a h VAL 171 N 0.00 1.42 -0.14 2.81 2.07 -1.87 -2.94 116.25 117.60 1w4a h VAL 171 Ca -0.00 -2.30 -0.00 0.00 0.82 0.00 0.00 66.70 65.21 1w4a h VAL 171 Cb 0.69 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1w4a h VAL 171 CO 0.05 0.68 0.08 0.15 0.02 0.00 0.00 177.57 178.55 1w4a h PHE 172 N 0.20 0.19 -0.11 1.57 3.57 -0.72 -0.53 116.94 121.11 1w4a h PHE 172 Ca -0.04 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 1w4a h PHE 172 Cb 1.37 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 1w4a h PHE 172 CO 0.04 0.17 -0.19 -0.39 -2.23 0.00 0.00 178.31 175.71 1w4a h VAL 173 N 0.15 1.19 -0.32 1.41 -1.51 -1.34 -0.35 116.25 115.49 1w4a h VAL 173 Ca 0.05 -0.89 -0.04 0.00 -1.23 0.00 0.00 66.70 64.60 1w4a h VAL 173 Cb 0.04 1.32 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 1w4a h VAL 173 CO -0.01 0.27 0.06 -0.78 -1.23 0.00 0.00 177.57 175.88 1w4a h ASP 174 N 0.17 0.50 -0.64 4.19 1.82 -1.27 -0.14 116.42 121.05 1w4a h ASP 174 Ca 0.03 -0.25 -0.01 0.00 -0.39 0.00 0.00 57.03 56.41 1w4a h ASP 174 Cb 0.44 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.29 1w4a h ASP 174 CO 0.03 0.62 0.36 0.44 -1.61 0.00 0.00 179.24 179.08 1w4a h ASP 175 N 0.35 0.79 -0.33 2.28 3.32 -0.49 -1.93 116.42 120.41 1w4a h ASP 175 Ca 0.10 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1w4a h ASP 175 Cb 0.33 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1w4a h ASP 175 CO 0.00 0.64 0.00 0.40 -1.72 0.00 0.00 179.24 178.57 1w4a h ILE 176 N 0.87 1.26 -0.63 0.35 2.04 -0.83 -1.11 117.51 119.45 1w4a h ILE 176 Ca 0.23 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 65.14 1w4a h ILE 176 Cb 0.02 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1w4a h ILE 176 CO -0.04 0.31 0.41 0.00 0.00 0.00 0.00 178.15 178.84 1w4a h ALA 177 N 0.85 0.80 -0.61 1.87 0.00 -0.90 -0.49 119.26 120.78 1w4a h ALA 177 Ca 0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1w4a h ALA 177 Cb 0.44 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1w4a h ALA 177 CO 0.02 0.22 0.18 -0.09 0.00 0.00 0.00 179.25 179.58 1w4a h ARG 178 N 0.84 0.92 -0.36 0.00 2.43 -1.25 -1.40 114.38 115.57 1w4a h ARG 178 Ca 0.23 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1w4a h ARG 178 Cb -0.08 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1w4a h ARG 178 CO -0.06 0.80 -0.04 0.00 -1.51 0.00 0.00 179.97 179.16 1w4a h ALA 179 N 1.31 0.49 0.00 2.80 0.00 -0.37 -1.85 119.26 121.63 1w4a h ALA 179 Ca 0.20 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1w4a h ALA 179 Cb 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1w4a h ALA 179 CO -0.01 0.30 -0.53 0.52 0.00 0.00 0.00 179.25 179.53 1w4a h MET 180 N 0.46 0.00 0.00 0.00 2.86 -0.90 0.11 114.93 117.46 1w4a h MET 180 Ca 0.10 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.62 1w4a h MET 180 Cb 0.53 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1w4a h MET 180 CO 0.03 0.53 -0.55 -0.07 1.06 0.00 0.00 176.91 177.90 1w4a h LEU 181 N 0.00 0.00 -0.03 1.22 3.38 -1.14 -3.38 115.31 115.36 1w4a h LEU 181 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1w4a h LEU 181 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1w4a h LEU 181 CO 0.07 0.55 -0.22 0.00 0.09 0.00 0.00 178.44 178.93 1w4a n GLN 182 N -3.55 5.28 -3.95 1.13 6.02 -0.71 -5.03 117.38 116.57 1w4a n GLN 182 Ca -0.00 -0.02 -0.10 0.00 -0.01 0.00 0.00 57.00 56.87 1w4a n GLN 182 Cb 0.63 -0.73 -0.11 0.00 1.02 0.00 0.00 30.24 31.04 1w4a n GLN 182 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1w4a s HIS 183 N -1.42 0.19 0.11 1.08 3.76 0.36 -5.05 115.29 114.32 1w4a s HIS 183 Ca 0.02 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.55 1w4a s HIS 183 Cb 0.04 -0.14 -0.19 0.00 1.11 0.00 0.00 32.58 33.40 1w4a s HIS 183 CO 0.19 -0.17 1.25 -0.09 -0.85 0.00 0.00 174.74 175.08 1w4a h ARG 184 N 4.88 0.16 -5.04 1.40 2.43 -1.91 -3.42 114.38 112.87 1w4a h ARG 184 Ca -0.30 -0.24 -0.67 0.00 -0.81 0.00 0.00 59.98 57.96 1w4a h ARG 184 Cb 1.21 0.09 -0.33 0.00 -0.42 0.00 0.00 29.97 30.51 1w4a h ARG 184 CO 0.43 1.07 -0.83 0.08 -1.51 0.00 0.00 179.97 179.21 1w4a s VAL 185 N -2.82 2.36 -0.04 0.20 1.01 -1.26 0.09 120.40 119.94 1w4a s VAL 185 Ca -0.02 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1w4a s VAL 185 Cb 0.09 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 1w4a s VAL 185 CO 0.85 0.51 -0.15 -0.63 0.00 0.00 0.00 175.10 175.68 1w4a s ILE 186 N 1.33 1.23 -0.10 2.22 1.01 0.65 -1.13 121.20 126.40 1w4a s ILE 186 Ca 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1w4a s ILE 186 Cb -0.13 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 1w4a s ILE 186 CO -0.11 0.36 -0.10 -0.69 0.00 0.00 0.00 174.94 174.40 1w4a s VAL 187 N 0.11 3.38 -0.23 2.92 1.01 0.42 0.63 120.40 128.65 1w4a s VAL 187 Ca -0.04 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1w4a s VAL 187 Cb -0.11 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.91 1w4a s VAL 187 CO 0.02 0.55 -0.13 -0.63 0.00 0.00 0.00 175.10 174.90 1w4a s ILE 188 N -0.18 2.26 -0.44 2.22 1.01 0.10 -0.48 121.20 125.70 1w4a s ILE 188 Ca 0.01 -1.26 -0.17 0.00 0.00 0.00 0.00 60.65 59.22 1w4a s ILE 188 Cb -0.13 -2.16 0.03 0.00 0.01 0.00 0.00 42.46 40.21 1w4a s ILE 188 CO 0.03 0.23 0.47 -0.62 0.00 0.00 0.00 174.94 175.04 1w4a s ASP 189 N 1.21 6.20 0.00 3.58 -1.08 0.06 -2.74 116.67 123.90 1w4a s ASP 189 Ca -0.02 -0.78 0.00 0.00 -0.52 0.00 0.00 52.55 51.23 1w4a s ASP 189 Cb -0.17 -2.23 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1w4a s ASP 189 CO -0.08 -0.64 0.00 -0.24 0.52 0.00 0.00 175.17 174.73 1w4a n SER 190 N 5.66 -1.74 -0.03 -0.34 2.88 -1.26 -2.61 113.62 116.18 1w4a n SER 190 Ca -0.08 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.58 1w4a n SER 190 Cb 0.47 -0.87 0.22 0.00 -0.75 0.00 0.00 64.21 63.27 1w4a n SER 190 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1w4a n LEU 191 N 0.00 0.63 -0.32 2.46 7.94 -0.88 -4.46 117.00 122.38 1w4a n LEU 191 Ca 0.00 -0.09 0.14 0.00 -1.11 0.00 0.00 56.01 54.94 1w4a n LEU 191 Cb 0.00 -0.20 0.29 0.00 0.53 0.00 0.00 43.42 44.03 1w4a n LEU 191 CO 0.00 0.15 0.86 0.11 -1.11 0.00 0.00 177.39 177.40 1w4a h LYS 192 N 0.15 0.08 0.00 1.96 1.57 -1.92 0.19 116.57 118.59 1w4a h LYS 192 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1w4a h LYS 192 Cb 0.50 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1w4a h LYS 192 CO 0.00 0.05 0.00 0.09 -0.57 0.00 0.00 179.45 179.02 1w4a n ASN 193 N -5.38 0.25 0.07 0.86 4.13 -1.26 -2.27 115.26 111.65 1w4a n ASN 193 Ca 0.22 0.53 0.01 0.00 1.68 0.00 0.00 54.58 57.02 1w4a n ASN 193 Cb 0.73 -0.59 -0.04 0.00 -1.54 0.00 0.00 39.78 38.33 1w4a n ASN 193 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 1w4a h VAL 194 N 0.00 0.63 -2.74 2.41 -1.51 -0.96 -3.50 116.25 110.57 1w4a h VAL 194 Ca 0.00 -2.06 -0.69 0.00 -1.23 0.00 0.00 66.70 62.72 1w4a h VAL 194 Cb 0.51 2.17 -0.18 0.00 -2.13 0.00 0.00 31.29 31.65 1w4a h VAL 194 CO 0.00 0.36 0.51 -0.63 -1.23 0.00 0.00 177.57 176.58 1w4a s ILE 195 N -2.95 4.77 -0.30 7.19 -1.09 -0.87 -4.84 121.20 123.11 1w4a s ILE 195 Ca -0.00 -1.28 -0.20 0.00 -2.23 0.00 0.00 60.65 56.93 1w4a s ILE 195 Cb 0.08 -4.65 0.20 0.00 -1.58 0.00 0.00 42.46 36.51 1w4a s ILE 195 CO 0.79 -1.35 1.34 -0.63 -1.23 0.00 0.00 174.94 173.86 1w4a s ILE 207 N 2.69 0.00 1.03 2.92 1.01 -1.26 -5.09 121.20 122.50 1w4a s ILE 207 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.76 1w4a s ILE 207 Cb -0.13 -1.00 0.21 0.00 0.01 0.00 0.00 42.46 41.55 1w4a s ILE 207 CO -0.02 0.00 1.08 -0.94 0.00 0.00 0.00 174.94 175.06 1w4a s SER 208 N 0.60 2.28 0.08 3.58 1.04 -1.26 -4.85 113.70 115.16 1w4a s SER 208 Ca -0.01 1.33 -0.20 0.00 0.48 0.00 0.00 55.95 57.55 1w4a s SER 208 Cb -0.03 -2.03 -0.10 0.00 0.10 0.00 0.00 66.02 63.96 1w4a s SER 208 CO -0.12 -3.36 1.53 -0.09 0.98 0.00 0.00 173.24 172.18 1w4a h ARG 209 N -2.05 0.34 -0.97 4.02 2.43 -1.87 -2.16 114.38 114.12 1w4a h ARG 209 Ca -0.56 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 58.55 1w4a h ARG 209 Cb 1.32 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.78 1w4a h ARG 209 CO 0.55 0.51 0.63 0.78 -1.51 0.00 0.00 179.97 180.93 1w4a h GLY 210 N 0.13 1.41 1.00 2.80 0.00 -1.31 0.18 103.07 107.28 1w4a h GLY 210 Ca 0.06 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1w4a h GLY 210 CO 0.01 0.42 0.20 0.00 0.00 0.00 0.00 176.54 177.17 1w4a h ALA 211 N 1.39 0.78 -0.41 3.60 0.00 -1.79 0.68 119.26 123.51 1w4a h ALA 211 Ca 0.38 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1w4a h ALA 211 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1w4a h ALA 211 CO -0.12 0.43 -0.06 0.35 0.00 0.00 0.00 179.25 179.85 1w4a h PHE 212 N 0.84 0.86 -0.37 0.00 3.57 -0.82 -2.35 116.94 118.67 1w4a h PHE 212 Ca 0.19 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1w4a h PHE 212 Cb 0.26 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1w4a h PHE 212 CO 0.02 0.87 0.23 -0.44 -2.23 0.00 0.00 178.31 176.76 1w4a h ASP 213 N 0.60 0.43 -0.11 0.41 3.32 -0.24 -2.55 116.42 118.26 1w4a h ASP 213 Ca 0.11 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.16 1w4a h ASP 213 Cb 0.57 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1w4a h ASP 213 CO 0.03 0.33 -0.07 0.25 -1.72 0.00 0.00 179.24 178.06 1w4a h LEU 214 N 0.49 -0.24 -1.12 1.55 5.85 -0.70 0.63 115.31 121.77 1w4a h LEU 214 Ca 0.13 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.98 1w4a h LEU 214 Cb -0.03 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 1w4a h LEU 214 CO -0.03 -0.10 0.60 -0.07 -0.34 0.00 0.00 178.44 178.50 1w4a h LEU 215 N -0.08 0.92 0.00 2.25 -0.00 -1.34 0.29 115.31 117.35 1w4a h LEU 215 Ca 0.07 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1w4a h LEU 215 Cb 0.18 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1w4a h LEU 215 CO -0.16 0.59 -0.43 0.77 -0.00 0.00 0.00 178.44 179.20 1w4a h SER 216 N 1.05 0.00 0.00 -0.43 4.64 -1.02 -3.40 113.55 114.39 1w4a h SER 216 Ca 0.40 -0.14 -0.30 0.00 -0.47 0.00 0.00 61.79 61.28 1w4a h SER 216 Cb 0.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.25 1w4a h SER 216 CO -0.16 0.07 -2.14 0.47 -0.87 0.00 0.00 176.83 174.20 1w4a n ASP 217 N -2.21 1.86 -0.28 4.97 8.00 0.17 -4.73 116.55 124.33 1w4a n ASP 217 Ca 0.04 -0.07 0.07 0.00 0.71 0.00 0.00 54.79 55.54 1w4a n ASP 217 Cb 0.44 0.16 0.22 0.00 -0.02 0.00 0.00 41.12 41.92 1w4a n ASP 217 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1w4a h ILE 218 N 0.00 0.67 -0.62 0.53 2.10 -1.17 -1.66 117.51 117.36 1w4a h ILE 218 Ca -0.45 -0.18 -0.02 0.00 1.08 0.00 0.00 64.86 65.29 1w4a h ILE 218 Cb 1.82 0.10 -0.03 0.00 -1.09 0.00 0.00 36.82 37.62 1w4a h ILE 218 CO -0.03 0.10 0.30 1.23 -1.08 0.00 0.00 178.15 178.67 1w4a h GLY 219 N 0.53 0.95 1.20 8.18 0.00 -1.83 -1.37 103.07 110.73 1w4a h GLY 219 Ca 0.46 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 1w4a h GLY 219 CO -0.40 0.44 -0.30 0.00 0.00 0.00 0.00 176.54 176.29 1w4a h ALA 220 N 1.13 0.70 -0.16 3.60 0.00 -1.70 -1.63 119.26 121.20 1w4a h ALA 220 Ca 0.21 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1w4a h ALA 220 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1w4a h ALA 220 CO -0.03 0.67 0.09 0.52 0.00 0.00 0.00 179.25 180.50 1w4a h MET 221 N 0.76 0.22 -0.31 0.00 2.07 -1.09 -0.63 114.93 115.95 1w4a h MET 221 Ca 0.08 -0.02 -0.05 0.00 -2.07 0.00 0.00 59.70 57.64 1w4a h MET 221 Cb 0.87 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.54 1w4a h MET 221 CO 0.08 0.21 0.01 0.00 1.07 0.00 0.00 176.91 178.27 1w4a h ALA 222 N 1.00 0.42 -0.54 6.32 0.00 -1.21 -1.51 119.26 123.74 1w4a h ALA 222 Ca 0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1w4a h ALA 222 Cb 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1w4a h ALA 222 CO -0.01 0.16 0.18 0.00 0.00 0.00 0.00 179.25 179.58 1w4a h ALA 223 N 0.85 1.29 -0.28 0.00 0.00 -1.26 0.49 119.26 120.34 1w4a h ALA 223 Ca 0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1w4a h ALA 223 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1w4a h ALA 223 CO 0.01 0.51 -0.25 0.77 0.00 0.00 0.00 179.25 180.30 1w4a h SER 224 N 0.79 0.56 0.89 0.00 0.02 -0.85 -2.96 113.55 112.00 1w4a h SER 224 Ca 0.18 -0.19 -0.22 0.00 -0.84 0.00 0.00 61.79 60.72 1w4a h SER 224 Cb 0.22 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1w4a h SER 224 CO -0.01 0.80 -1.03 -0.09 -1.14 0.00 0.00 176.83 175.36 1w4a h ARG 225 N 0.49 0.07 0.00 3.45 9.65 -0.38 -3.43 114.38 124.23 1w4a h ARG 225 Ca 0.07 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1w4a h ARG 225 Cb 0.69 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 1w4a h ARG 225 CO 0.05 1.03 0.00 0.41 2.80 0.00 0.00 179.97 184.26 1w4a n GLY 226 N 1.32 0.80 3.90 2.80 0.00 0.16 -3.99 105.19 110.19 1w4a n GLY 226 Ca -0.02 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 1w4a n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w4a s VAL 228 N -2.23 2.02 -0.30 0.00 0.11 0.11 -0.89 120.40 119.22 1w4a s VAL 228 Ca 0.41 -1.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.39 1w4a s VAL 228 Cb -0.07 -1.72 0.05 0.00 -1.53 0.00 0.00 36.38 33.10 1w4a s VAL 228 CO 0.28 0.56 0.02 -0.69 -3.33 0.00 0.00 175.10 171.94 1w4a s VAL 229 N -0.04 3.15 -0.44 2.04 1.01 -0.36 -0.25 120.40 125.51 1w4a s VAL 229 Ca -0.07 -1.31 -0.17 0.00 0.00 0.00 0.00 61.98 60.43 1w4a s VAL 229 Cb -0.15 -2.79 0.04 0.00 0.00 0.00 0.00 36.38 33.48 1w4a s VAL 229 CO 0.05 -0.10 0.42 -0.63 0.00 0.00 0.00 175.10 174.83 1w4a s ILE 230 N 1.29 5.14 -0.14 2.22 1.01 0.20 -0.51 121.20 130.41 1w4a s ILE 230 Ca -0.04 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1w4a s ILE 230 Cb -0.20 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.20 1w4a s ILE 230 CO -0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 174.94 174.31 1w4a s ALA 231 N 1.98 2.54 0.13 9.38 0.00 0.41 0.01 121.76 136.20 1w4a s ALA 231 Ca 0.09 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 50.83 1w4a s ALA 231 Cb -0.19 -1.21 -0.07 0.00 0.00 0.00 0.00 23.12 21.64 1w4a s ALA 231 CO 0.11 0.10 0.73 -1.54 0.00 0.00 0.00 175.76 175.16 1w4a s SER 232 N 0.60 7.29 -0.14 0.00 1.04 -1.11 -0.26 113.70 121.13 1w4a s SER 232 Ca -0.08 1.53 -0.04 0.00 0.48 0.00 0.00 55.95 57.84 1w4a s SER 232 Cb -0.16 -2.46 0.06 0.00 0.10 0.00 0.00 66.02 63.56 1w4a s SER 232 CO 0.03 0.19 0.12 -0.22 0.98 0.00 0.00 173.24 174.35 1w4a s LEU 233 N -0.95 0.14 -0.16 2.42 2.96 0.12 -2.07 118.68 121.14 1w4a s LEU 233 Ca 0.35 -0.24 -0.21 0.00 -0.22 0.00 0.00 54.13 53.81 1w4a s LEU 233 Cb -0.22 -0.00 -0.03 0.00 0.50 0.00 0.00 46.19 46.44 1w4a s LEU 233 CO 0.24 -0.31 0.61 0.20 -1.32 0.00 0.00 176.35 175.77 1w4a s ASN 234 N 2.21 6.74 -0.05 3.68 -0.87 -1.26 -4.22 114.94 121.17 1w4a s ASN 234 Ca 0.04 0.89 -0.23 0.00 -1.57 0.00 0.00 52.86 51.99 1w4a s ASN 234 Cb -0.15 -2.34 -0.26 0.00 -0.02 0.00 0.00 41.25 38.48 1w4a s ASN 234 CO -0.08 -0.18 0.98 -0.65 -2.57 0.00 0.00 177.10 174.60 1w4a h PRO 235 N 7.19 0.25 -1.82 -0.60 0.11 -1.97 -3.46 132.00 131.69 1w4a h PRO 235 Ca -0.35 -0.32 -0.12 0.00 0.11 0.00 0.00 66.00 65.32 1w4a h PRO 235 Cb 1.16 0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1w4a h PRO 235 CO 0.76 1.06 0.71 0.25 -0.21 0.00 0.00 178.00 180.58 1w4a n THR 236 N -4.34 0.00 -2.66 -1.15 -2.24 -1.26 -4.63 114.28 98.00 1w4a n THR 236 Ca -0.11 -0.18 -0.04 0.00 -2.27 0.00 0.00 64.05 61.45 1w4a n THR 236 Cb 0.63 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.92 1w4a n THR 236 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1w4a n SER 237 N 1.97 -1.15 -3.64 3.42 2.88 -1.26 -5.06 113.62 110.78 1w4a n SER 237 Ca 0.23 -1.14 -0.24 0.00 -1.33 0.00 0.00 58.87 56.39 1w4a n SER 237 Cb 0.06 0.59 -0.06 0.00 -0.75 0.00 0.00 64.21 64.05 1w4a n SER 237 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1w4a n ASN 238 N 2.02 0.17 -3.35 -3.46 3.02 -1.26 -4.48 115.26 107.92 1w4a n ASN 238 Ca 0.06 -1.66 -0.23 0.00 -0.03 0.00 0.00 54.58 52.72 1w4a n ASN 238 Cb 0.69 -0.30 -0.09 0.00 -0.61 0.00 0.00 39.78 39.47 1w4a n ASN 238 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1w4a s ASP 239 N 5.14 1.59 0.37 6.41 3.68 -1.26 -5.01 116.67 127.58 1w4a s ASP 239 Ca 0.36 -2.30 0.00 0.00 2.13 0.00 0.00 52.55 52.74 1w4a s ASP 239 Cb 0.08 0.03 0.00 0.00 -1.45 0.00 0.00 42.92 41.58 1w4a s ASP 239 CO 0.18 -0.23 0.77 -0.90 0.13 0.00 0.00 175.17 175.13 1w4a n ASP 240 N 3.59 0.00 -0.01 -0.34 5.75 -1.26 0.48 116.55 124.76 1w4a n ASP 240 Ca 0.18 0.28 -0.17 0.00 -0.01 0.00 0.00 54.79 55.07 1w4a n ASP 240 Cb 0.44 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.44 1w4a n ASP 240 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1w4a h LYS 241 N 0.00 0.55 0.10 0.11 3.11 -1.95 -2.95 116.57 115.55 1w4a h LYS 241 Ca 0.00 -0.50 -0.34 0.00 -2.81 0.00 0.00 60.65 57.00 1w4a h LYS 241 Cb 1.55 0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 32.88 1w4a h LYS 241 CO 0.00 1.13 -1.84 0.97 -2.81 0.00 0.00 179.45 176.90 1w4a h ILE 242 N 0.15 0.78 -0.66 2.00 2.10 -0.30 -3.31 117.51 118.28 1w4a h ILE 242 Ca -0.06 -2.51 -0.02 0.00 1.08 0.00 0.00 64.86 63.35 1w4a h ILE 242 Cb 1.30 2.55 -0.03 0.00 -1.09 0.00 0.00 36.82 39.55 1w4a h ILE 242 CO 0.13 0.79 0.33 1.62 -1.08 0.00 0.00 178.15 179.94 1w4a h VAL 243 N 0.06 1.21 -0.02 2.19 3.04 -1.46 -0.75 116.25 120.52 1w4a h VAL 243 Ca -0.36 -0.57 -0.12 0.00 -1.01 0.00 0.00 66.70 64.65 1w4a h VAL 243 Cb 2.03 0.36 -0.02 0.00 -2.01 0.00 0.00 31.29 31.65 1w4a h VAL 243 CO 0.11 0.24 -0.55 -0.33 -1.01 0.00 0.00 177.57 176.03 1w4a h GLU 244 N 0.92 0.06 -0.15 4.17 4.39 -1.68 -1.83 114.58 120.47 1w4a h GLU 244 Ca 0.23 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.80 1w4a h GLU 244 Cb 0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1w4a h GLU 244 CO -0.03 0.60 -0.32 1.25 -1.16 0.00 0.00 179.01 179.35 1w4a h LEU 245 N 0.05 0.30 -0.30 1.33 5.85 -1.31 -0.49 115.31 120.74 1w4a h LEU 245 Ca -0.00 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.50 1w4a h LEU 245 Cb 0.99 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1w4a h LEU 245 CO 0.08 0.61 -0.26 0.58 -0.34 0.00 0.00 178.44 179.10 1w4a h VAL 246 N 0.26 1.30 -0.11 1.05 2.07 -0.65 -0.68 116.25 119.48 1w4a h VAL 246 Ca 0.03 -1.42 -0.10 0.00 0.82 0.00 0.00 66.70 66.03 1w4a h VAL 246 Cb 0.69 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1w4a h VAL 246 CO 0.05 0.45 -0.39 0.11 0.02 0.00 0.00 177.57 177.81 1w4a h LYS 247 N 0.45 0.24 -0.07 1.57 1.57 -1.05 -1.11 116.57 118.17 1w4a h LYS 247 Ca 0.05 -0.11 -0.25 0.00 -1.87 0.00 0.00 60.65 58.48 1w4a h LYS 247 Cb 0.82 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.14 1w4a h LYS 247 CO 0.07 0.60 -0.92 1.49 -0.57 0.00 0.00 179.45 180.11 1w4a h GLU 248 N 0.20 0.72 -0.51 3.15 4.57 -1.00 0.20 114.58 121.91 1w4a h GLU 248 Ca 0.02 -0.69 -0.08 0.00 -1.18 0.00 0.00 59.36 57.43 1w4a h GLU 248 Cb 0.79 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 1w4a h GLU 248 CO 0.06 1.28 -0.02 0.00 -1.18 0.00 0.00 179.01 179.15 1w4a h ALA 249 N 0.50 1.00 -0.08 2.92 0.00 -0.95 0.50 119.26 123.15 1w4a h ALA 249 Ca -0.09 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 1w4a h ALA 249 Cb 1.56 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1w4a h ALA 249 CO 0.18 0.61 -0.72 0.77 0.00 0.00 0.00 179.25 180.09 1w4a h SER 250 N 0.81 0.49 0.08 0.00 0.02 -1.10 -2.12 113.55 111.74 1w4a h SER 250 Ca 0.15 -0.32 -0.13 0.00 -0.84 0.00 0.00 61.79 60.65 1w4a h SER 250 Cb 0.51 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.92 1w4a h SER 250 CO 0.03 1.06 -0.56 -0.09 -1.14 0.00 0.00 176.83 176.12 1w4a h ARG 251 N 0.28 0.23 0.00 3.45 2.43 -0.29 -3.38 114.38 117.10 1w4a h ARG 251 Ca -0.03 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1w4a h ARG 251 Cb 1.30 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 1w4a h ARG 251 CO 0.12 1.15 -1.61 0.43 -1.51 0.00 0.00 179.97 178.55 1w4a n SER 252 N -4.28 1.89 -0.57 -3.80 7.64 0.17 -4.64 113.62 110.05 1w4a n SER 252 Ca -0.12 -0.01 0.06 0.00 1.01 0.00 0.00 58.87 59.81 1w4a n SER 252 Cb 0.70 1.61 0.08 0.00 -1.01 0.00 0.00 64.21 65.60 1w4a n SER 252 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1w4a n ASN 253 N -1.96 2.31 -4.66 6.43 5.03 -0.82 -4.97 115.26 116.62 1w4a n ASN 253 Ca -0.02 -1.65 -0.35 0.00 0.87 0.00 0.00 54.58 53.43 1w4a n ASN 253 Cb 0.35 -0.06 -0.10 0.00 -1.02 0.00 0.00 39.78 38.95 1w4a n ASN 253 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1w4a s SER 254 N -1.05 5.28 0.09 6.41 0.01 -1.08 -4.42 113.70 118.93 1w4a s SER 254 Ca 0.18 0.11 -0.04 0.00 1.31 0.00 0.00 55.95 57.52 1w4a s SER 254 Cb 0.11 -1.61 -0.26 0.00 0.21 0.00 0.00 66.02 64.48 1w4a s SER 254 CO 0.17 0.32 1.17 0.74 0.41 0.00 0.00 173.24 176.05 1w4a h THR 255 N 4.38 1.50 -4.03 1.44 2.02 0.04 -3.46 112.91 114.80 1w4a h THR 255 Ca -0.46 -3.02 -0.20 0.00 0.77 0.00 0.00 66.41 63.49 1w4a h THR 255 Cb 1.19 2.89 -0.15 0.00 -1.74 0.00 0.00 68.15 70.34 1w4a h THR 255 CO 0.58 0.88 -0.67 -0.44 0.37 0.00 0.00 175.52 176.24 1w4a s SER 256 N -7.12 0.83 -0.03 4.18 0.01 -0.45 -1.41 113.70 109.72 1w4a s SER 256 Ca -0.04 -1.08 0.01 0.00 1.31 0.00 0.00 55.95 56.14 1w4a s SER 256 Cb 0.07 0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.49 1w4a s SER 256 CO 0.88 -0.58 -0.01 -0.22 0.41 0.00 0.00 173.24 173.72 1w4a s LEU 257 N -3.04 1.37 -0.22 2.44 2.96 0.11 -2.40 118.68 119.90 1w4a s LEU 257 Ca 0.16 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1w4a s LEU 257 Cb 0.07 -0.25 0.05 0.00 0.50 0.00 0.00 46.19 46.56 1w4a s LEU 257 CO -0.03 -0.06 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.15 1w4a s VAL 258 N 0.77 1.78 0.01 1.68 1.01 -0.09 0.02 120.40 125.57 1w4a s VAL 258 Ca -0.08 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 60.73 1w4a s VAL 258 Cb -0.11 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1w4a s VAL 258 CO -0.01 0.07 -0.15 -0.51 0.00 0.00 0.00 175.10 174.50 1w4a s ILE 259 N 1.31 1.18 0.77 2.22 2.07 -0.18 -1.43 121.20 127.14 1w4a s ILE 259 Ca -0.04 -0.80 -0.11 0.00 -1.41 0.00 0.00 60.65 58.30 1w4a s ILE 259 Cb -0.18 -1.02 0.06 0.00 0.13 0.00 0.00 42.46 41.45 1w4a s ILE 259 CO -0.07 0.21 1.09 -0.94 -1.91 0.00 0.00 174.94 173.32 1w4a s SER 260 N -0.68 4.53 0.00 4.50 1.04 -0.89 -0.29 113.70 121.92 1w4a s SER 260 Ca 0.04 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.27 1w4a s SER 260 Cb -0.07 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1w4a s SER 260 CO 0.00 -2.01 0.00 0.35 0.98 0.00 0.00 173.24 172.56 1w4a n THR 261 N -3.51 0.00 0.20 2.02 -2.24 -1.01 -4.80 114.28 104.95 1w4a n THR 261 Ca 0.09 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.93 1w4a n THR 261 Cb 0.53 -0.06 0.38 0.00 -2.10 0.00 0.00 70.33 69.07 1w4a n THR 261 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1w4a h ASP 262 N 0.00 0.00 -3.67 3.42 3.45 -1.96 -3.43 116.42 114.23 1w4a h ASP 262 Ca 0.00 0.00 -0.62 0.00 0.43 0.00 0.00 57.03 56.84 1w4a h ASP 262 Cb 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 38.63 1w4a h ASP 262 CO 0.00 0.35 -0.31 -0.69 -1.57 0.00 0.00 179.24 177.02 1w4a s VAL 263 N -3.72 5.23 0.17 -1.35 1.01 -1.26 -5.03 120.40 115.45 1w4a s VAL 263 Ca -0.01 0.48 -0.33 0.00 0.00 0.00 0.00 61.98 62.12 1w4a s VAL 263 Cb 0.12 -3.65 -0.14 0.00 0.00 0.00 0.00 36.38 32.70 1w4a s VAL 263 CO 0.68 0.22 1.47 0.47 0.00 0.00 0.00 175.10 177.94 1w4a n ASP 264 N 4.94 2.70 0.00 3.32 10.43 -1.26 -1.38 116.55 135.30 1w4a n ASP 264 Ca -0.10 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.37 1w4a n ASP 264 Cb 0.51 -1.38 0.00 0.00 1.84 0.00 0.00 41.12 42.09 1w4a n ASP 264 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1w4a n GLY 265 N 2.85 1.86 3.74 0.44 0.00 -1.26 -4.96 105.19 107.86 1w4a n GLY 265 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1w4a n GLY 265 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1w4a s GLU 266 N -0.41 3.50 0.14 1.61 2.12 -0.48 -2.00 118.70 123.18 1w4a s GLU 266 Ca 0.00 -0.28 0.05 0.00 0.36 0.00 0.00 54.97 55.10 1w4a s GLU 266 Cb 0.00 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 1w4a s GLU 266 CO 0.00 0.59 -0.12 -1.58 -0.54 0.00 0.00 175.26 173.61 1w4a s TRP 267 N -0.52 1.33 -0.12 5.30 0.52 -0.50 -2.39 118.94 122.56 1w4a s TRP 267 Ca 0.11 -0.67 0.00 0.00 0.02 0.00 0.00 56.10 55.56 1w4a s TRP 267 Cb -0.12 -0.68 -0.02 0.00 -1.15 0.00 0.00 33.47 31.51 1w4a s TRP 267 CO 0.02 0.12 -0.13 -0.65 0.02 0.00 0.00 176.95 176.33 1w4a s GLN 268 N -3.34 3.30 -0.21 4.98 -0.21 0.61 -0.97 119.66 123.82 1w4a s GLN 268 Ca 0.14 -0.69 -0.05 0.00 0.02 0.00 0.00 55.36 54.78 1w4a s GLN 268 Cb -0.00 -2.60 -0.02 0.00 1.00 0.00 0.00 33.01 31.38 1w4a s GLN 268 CO 0.02 0.25 0.00 0.08 -2.12 0.00 0.00 175.29 173.52 1w4a s VAL 269 N 0.25 3.90 -0.21 1.09 1.01 -0.10 -1.01 120.40 125.33 1w4a s VAL 269 Ca -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1w4a s VAL 269 Cb -0.16 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.48 1w4a s VAL 269 CO 0.05 0.42 -0.13 -0.76 0.00 0.00 0.00 175.10 174.68 1w4a s LEU 270 N 1.16 2.70 -0.13 3.92 1.02 0.10 -2.16 118.68 125.29 1w4a s LEU 270 Ca 0.03 -0.81 0.03 0.00 0.02 0.00 0.00 54.13 53.40 1w4a s LEU 270 Cb -0.14 -1.56 0.01 0.00 0.02 0.00 0.00 46.19 44.51 1w4a s LEU 270 CO 0.01 -0.07 -0.22 -0.89 0.02 0.00 0.00 176.35 175.21 1w4a s THR 271 N 1.29 2.04 -0.19 5.49 2.01 0.89 0.05 115.64 127.21 1w4a s THR 271 Ca 0.01 -0.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.75 1w4a s THR 271 Cb -0.15 -1.80 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 1w4a s THR 271 CO -0.09 0.55 1.09 -0.13 -0.69 0.00 0.00 174.62 175.36 1w4a s ARG 272 N 0.76 4.28 0.00 4.92 0.52 -0.50 -0.89 118.95 128.05 1w4a s ARG 272 Ca -0.09 1.45 0.27 0.00 -0.52 0.00 0.00 55.73 56.84 1w4a s ARG 272 Cb -0.16 -3.65 0.88 0.00 0.52 0.00 0.00 34.95 32.55 1w4a s ARG 272 CO -0.00 -0.59 1.65 0.25 0.02 0.00 0.00 175.30 176.62 1w4a n THR 273 N 5.17 0.00 0.00 0.02 -2.24 -1.24 -4.83 114.28 111.17 1w4a n THR 273 Ca 0.12 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1w4a n THR 273 Cb 0.46 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1w4a n THR 273 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w4a n GLY 274 N 1.24 0.28 3.66 3.38 0.00 -1.26 -4.27 105.19 108.21 1w4a n GLY 274 Ca 0.17 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 1w4a n GLY 274 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1w4a s GLU 275 N -1.70 4.10 0.00 1.61 2.12 -0.03 -2.31 118.70 122.48 1w4a s GLU 275 Ca 0.00 2.33 0.00 0.00 0.36 0.00 0.00 54.97 57.66 1w4a s GLU 275 Cb 0.00 -4.08 0.00 0.00 0.26 0.00 0.00 34.13 30.31 1w4a s GLU 275 CO 0.00 -0.97 0.00 0.41 -0.54 0.00 0.00 175.26 174.16 1w4a n GLY 276 N 4.40 0.41 3.96 -1.50 0.00 -1.26 -4.99 105.19 106.20 1w4a n GLY 276 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1w4a n GLY 276 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w4a s LEU 277 N 0.00 3.09 0.45 0.99 1.43 -0.98 -5.06 118.68 118.60 1w4a s LEU 277 Ca 0.00 0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 53.02 1w4a s LEU 277 Cb 0.00 -2.89 -0.10 0.00 0.03 0.00 0.00 46.19 43.23 1w4a s LEU 277 CO 0.00 -1.35 0.99 -1.10 0.23 0.00 0.00 176.35 175.12 1w4a s GLN 278 N -4.96 4.05 0.17 1.70 -0.21 -1.26 -4.72 119.66 114.44 1w4a s GLN 278 Ca 0.59 1.24 -0.27 0.00 0.02 0.00 0.00 55.36 56.93 1w4a s GLN 278 Cb -0.10 -2.16 -0.08 0.00 1.00 0.00 0.00 33.01 31.67 1w4a s GLN 278 CO 0.41 -0.20 0.85 1.03 -2.12 0.00 0.00 175.29 175.27 1w4a s ARG 279 N -3.16 4.68 0.16 2.91 0.52 -1.26 -3.63 118.95 119.16 1w4a s ARG 279 Ca 0.64 1.29 0.06 0.00 -0.52 0.00 0.00 55.73 57.21 1w4a s ARG 279 Cb -0.13 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 1w4a s ARG 279 CO 0.16 0.49 0.04 -0.51 0.02 0.00 0.00 175.30 175.50 1w4a s LEU 280 N -0.92 3.49 0.01 2.53 1.43 -0.07 -1.07 118.68 124.09 1w4a s LEU 280 Ca 0.39 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1w4a s LEU 280 Cb -0.24 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 1w4a s LEU 280 CO 0.28 0.10 -0.01 0.28 0.23 0.00 0.00 176.35 177.23 1w4a s THR 281 N -1.67 0.07 0.11 5.49 -1.32 0.15 -0.08 115.64 118.39 1w4a s THR 281 Ca 0.28 -0.61 -0.23 0.00 -1.21 0.00 0.00 61.69 59.93 1w4a s THR 281 Cb -0.10 -0.20 0.06 0.00 -1.51 0.00 0.00 72.50 70.75 1w4a s THR 281 CO 0.20 -0.33 0.56 -1.38 -2.21 0.00 0.00 174.62 171.46 1w4a s HIS 282 N -0.99 -0.48 0.23 9.09 -3.43 -0.92 -4.25 115.29 114.55 1w4a s HIS 282 Ca -0.11 0.37 0.06 0.00 -0.80 0.00 0.00 55.06 54.58 1w4a s HIS 282 Cb -0.07 0.46 -0.03 0.00 -1.43 0.00 0.00 32.58 31.50 1w4a s HIS 282 CO -0.01 -0.76 0.25 0.99 -2.00 0.00 0.00 174.74 173.22 1w4a s THR 283 N -3.25 4.80 -0.02 -5.38 2.01 -1.26 -0.92 115.64 111.61 1w4a s THR 283 Ca -0.01 -1.18 0.03 0.00 0.31 0.00 0.00 61.69 60.84 1w4a s THR 283 Cb -0.00 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.93 1w4a s THR 283 CO -0.08 -0.30 -0.09 -0.76 -0.69 0.00 0.00 174.62 172.69 1w4a s LEU 284 N -3.78 1.83 0.03 4.42 1.02 -0.14 -4.95 118.68 117.10 1w4a s LEU 284 Ca 0.33 -0.18 0.03 0.00 0.02 0.00 0.00 54.13 54.33 1w4a s LEU 284 Cb -0.09 -0.54 -0.04 0.00 0.02 0.00 0.00 46.19 45.55 1w4a s LEU 284 CO 0.26 0.08 -0.03 -1.10 0.02 0.00 0.00 176.35 175.58 1w4a s GLN 285 N 0.12 2.63 0.11 1.70 -1.52 -1.26 -1.41 119.66 120.03 1w4a s GLN 285 Ca -0.02 -0.72 -0.05 0.00 -1.95 0.00 0.00 55.36 52.62 1w4a s GLN 285 Cb -0.08 -2.57 -0.02 0.00 -0.22 0.00 0.00 33.01 30.12 1w4a s GLN 285 CO 0.00 0.59 0.14 0.95 -0.25 0.00 0.00 175.29 176.73 1w4a s THR 286 N -1.11 0.13 0.07 -0.19 -4.23 -0.85 -0.49 115.64 108.96 1w4a s THR 286 Ca 0.20 -1.54 -0.16 0.00 -1.18 0.00 0.00 61.69 59.01 1w4a s THR 286 Cb -0.11 -1.69 0.03 0.00 1.34 0.00 0.00 72.50 72.06 1w4a s THR 286 CO 0.11 -0.57 0.38 -0.94 -0.54 0.00 0.00 174.62 173.06 1w4a s SER 287 N -2.95 -0.22 0.06 3.99 1.04 -0.73 -4.81 113.70 110.09 1w4a s SER 287 Ca 0.14 -0.15 -0.03 0.00 0.48 0.00 0.00 55.95 56.38 1w4a s SER 287 Cb 0.06 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.55 1w4a s SER 287 CO -0.05 -0.71 0.27 -0.31 0.98 0.00 0.00 173.24 173.43 1w4a s TYR 288 N -2.90 3.52 0.00 5.02 2.02 -1.26 -1.42 117.35 122.33 1w4a s TYR 288 Ca -0.03 0.42 0.00 0.00 -0.37 0.00 0.00 57.07 57.10 1w4a s TYR 288 Cb 0.00 -1.89 0.00 0.00 -0.40 0.00 0.00 41.96 39.67 1w4a s TYR 288 CO -0.05 0.56 0.00 0.41 -1.57 0.00 0.00 175.55 174.89 1w4a n GLY 289 N 0.50 4.35 3.79 0.71 0.00 -0.44 -4.99 105.19 109.10 1w4a n GLY 289 Ca -0.06 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 1w4a n GLY 289 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w4a s GLU 290 N 3.63 3.57 -1.64 1.61 2.02 -1.26 -3.83 118.70 122.80 1w4a s GLU 290 Ca 0.00 1.39 -0.17 0.00 0.02 0.00 0.00 54.97 56.22 1w4a s GLU 290 Cb 0.00 -2.06 0.13 0.00 0.10 0.00 0.00 34.13 32.30 1w4a s GLU 290 CO 0.00 -0.63 0.86 0.72 0.02 0.00 0.00 175.26 176.23 1w4a n HIS 291 N -1.29 -1.95 -2.03 1.61 8.25 -1.26 -2.00 115.22 116.56 1w4a n HIS 291 Ca 0.10 0.84 -0.20 0.00 -0.26 0.00 0.00 57.72 58.20 1w4a n HIS 291 Cb 0.52 -3.33 -0.04 0.00 1.12 0.00 0.00 29.99 28.26 1w4a n HIS 291 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1w4a n SER 292 N -2.72 -5.57 -4.67 0.41 7.64 -1.25 -4.95 113.62 102.51 1w4a n SER 292 Ca 0.06 0.21 -0.42 0.00 1.01 0.00 0.00 58.87 59.72 1w4a n SER 292 Cb 0.51 -4.69 -0.03 0.00 -1.01 0.00 0.00 64.21 58.98 1w4a n SER 292 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1w4a s VAL 293 N -2.88 4.79 0.10 0.44 1.01 -0.85 -4.87 120.40 118.15 1w4a s VAL 293 Ca 0.00 1.82 -0.11 0.00 0.00 0.00 0.00 61.98 63.69 1w4a s VAL 293 Cb 0.00 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 1w4a s VAL 293 CO 0.00 -0.06 0.45 -0.22 0.00 0.00 0.00 175.10 175.27 1w4a s LEU 294 N 2.57 4.35 -0.04 3.92 2.96 -1.26 -1.33 118.68 129.85 1w4a s LEU 294 Ca 0.41 0.88 0.05 0.00 -0.22 0.00 0.00 54.13 55.25 1w4a s LEU 294 Cb -0.16 -3.07 -0.01 0.00 0.50 0.00 0.00 46.19 43.46 1w4a s LEU 294 CO 0.11 0.15 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.22 1w4a s THR 295 N -1.41 1.46 -0.27 3.68 2.01 -0.51 -4.64 115.64 115.96 1w4a s THR 295 Ca 0.34 -0.74 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 1w4a s THR 295 Cb -0.14 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1w4a s THR 295 CO 0.18 0.42 0.28 -0.63 -0.69 0.00 0.00 174.62 174.18 1w4a s ILE 296 N -0.04 5.25 0.53 1.82 1.01 -1.26 -1.76 121.20 126.75 1w4a s ILE 296 Ca -0.02 0.37 -0.21 0.00 0.00 0.00 0.00 60.65 60.79 1w4a s ILE 296 Cb -0.11 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 1w4a s ILE 296 CO 0.02 0.22 1.25 -1.00 0.00 0.00 0.00 174.94 175.43 1w4a s HIS 297 N 1.80 2.50 0.00 3.97 3.76 0.36 -4.99 115.29 122.68 1w4a s HIS 297 Ca 0.11 1.47 0.00 0.00 -0.15 0.00 0.00 55.06 56.49 1w4a s HIS 297 Cb -0.16 -3.57 0.00 0.00 1.11 0.00 0.00 32.58 29.97 1w4a s HIS 297 CO 0.10 -2.25 0.00 2.41 -0.85 0.00 0.00 174.74 174.15 1w4a n THR 298 N -1.04 0.00 -1.52 1.30 -1.04 -1.26 -4.64 114.28 106.07 1w4a n THR 298 Ca 0.10 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.78 1w4a n THR 298 Cb 0.47 -0.62 -0.11 0.00 -1.82 0.00 0.00 70.33 68.25 1w4a n THR 298 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1w4a n SER 299 N -0.85 0.97 0.20 8.00 2.88 -1.26 -4.89 113.62 118.67 1w4a n SER 299 Ca 0.00 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 1w4a n SER 299 Cb 0.00 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.26 1w4a n SER 299 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1w4a n GLN 306 N 8.35 0.00 -2.97 -1.46 7.27 -1.26 -5.10 117.38 122.21 1w4a n GLN 306 Ca 0.54 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 57.21 1w4a n GLN 306 Cb 0.28 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.88 1w4a n GLN 306 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1w4a s ALA 307 N -1.93 3.36 -0.02 1.69 0.00 -1.26 0.29 121.76 123.89 1w4a s ALA 307 Ca 0.00 0.29 0.08 0.00 0.00 0.00 0.00 51.96 52.33 1w4a s ALA 307 Cb 0.00 -3.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 1w4a s ALA 307 CO 0.00 0.06 -0.25 -1.54 0.00 0.00 0.00 175.76 174.03 1w4a s SER 308 N -0.04 3.18 0.66 0.00 1.04 -0.24 -4.90 113.70 113.40 1w4a s SER 308 Ca 0.39 -0.44 -0.08 0.00 0.48 0.00 0.00 55.95 56.30 1w4a s SER 308 Cb -0.21 -0.40 0.02 0.00 0.10 0.00 0.00 66.02 65.54 1w4a s SER 308 CO 0.23 0.32 0.99 -0.83 0.98 0.00 0.00 173.24 174.93 1w4a s GLY 309 N -0.66 1.63 0.22 7.32 0.00 -1.26 -4.28 107.32 110.29 1w4a s GLY 309 Ca 0.10 -0.65 -0.08 0.00 0.00 0.00 0.00 44.72 44.10 1w4a s GLY 309 CO -0.01 -0.31 1.72 1.70 0.00 0.00 0.00 173.10 176.21 1w4a h LYS 310 N -0.44 0.34 -0.67 2.90 1.63 -1.99 -0.90 116.57 117.45 1w4a h LYS 310 Ca -0.45 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.32 1w4a h LYS 310 Cb 1.27 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.79 1w4a h LYS 310 CO 0.62 0.23 0.38 0.00 -3.45 0.00 0.00 179.45 177.22 1w4a h ALA 311 N 1.49 0.85 -0.48 5.00 0.00 -2.00 -2.19 119.26 121.93 1w4a h ALA 311 Ca 0.34 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1w4a h ALA 311 Cb 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1w4a h ALA 311 CO -0.38 0.35 0.02 0.82 0.00 0.00 0.00 179.25 180.06 1w4a h ILE 312 N 0.91 1.24 0.05 0.00 2.04 -1.77 -2.02 117.51 117.96 1w4a h ILE 312 Ca 0.24 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 1w4a h ILE 312 Cb 0.01 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1w4a h ILE 312 CO -0.04 0.34 -0.03 -0.61 0.00 0.00 0.00 178.15 177.82 1w4a h GLN 313 N 0.73 -0.07 0.00 2.37 -0.00 -0.64 -2.13 115.11 115.38 1w4a h GLN 313 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.77 1w4a h GLN 313 Cb 0.42 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 27.91 1w4a h GLN 313 CO 0.02 -0.02 -0.15 1.15 0.00 0.00 0.00 178.83 179.82 1w4a h THR 314 N -0.09 0.46 -0.58 2.39 2.02 -1.28 -2.23 112.91 113.59 1w4a h THR 314 Ca -0.01 -0.78 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 1w4a h THR 314 Cb 0.07 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 1w4a h THR 314 CO 0.01 0.14 0.11 0.58 0.37 0.00 0.00 175.52 176.73 1w4a h VAL 315 N 0.00 1.24 0.00 3.16 2.07 -0.71 -1.67 116.25 120.34 1w4a h VAL 315 Ca -0.00 -0.93 -0.11 0.00 0.82 0.00 0.00 66.70 66.48 1w4a h VAL 315 Cb 0.53 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1w4a h VAL 315 CO 0.02 0.34 -0.52 0.40 0.02 0.00 0.00 177.57 177.83 1w4a h ILE 316 N 0.88 1.37 0.00 4.57 5.03 -1.01 -2.80 117.51 125.55 1w4a h ILE 316 Ca 0.18 -1.78 -0.06 0.00 -0.12 0.00 0.00 64.86 63.08 1w4a h ILE 316 Cb 0.37 1.96 -0.01 0.00 -3.03 0.00 0.00 36.82 36.11 1w4a h ILE 316 CO 0.01 0.51 -0.28 0.11 -0.68 0.00 0.00 178.15 177.82 1w4a h LYS 317 N 0.00 0.00 -0.19 2.37 1.79 -0.97 -2.52 116.57 117.05 1w4a h LYS 317 Ca -0.01 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 1w4a h LYS 317 Cb 0.92 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 1w4a h LYS 317 CO 0.07 0.28 -0.12 -0.91 -1.08 0.00 0.00 179.45 177.68 1w4a h ASN 318 N 0.00 0.29 -1.54 0.86 4.21 -1.14 -2.90 115.58 115.36 1w4a h ASN 318 Ca -0.00 -0.06 0.47 0.00 1.21 0.00 0.00 56.30 57.91 1w4a h ASN 318 Cb 0.53 -0.08 -0.09 0.00 -1.12 0.00 0.00 38.32 37.56 1w4a h ASN 318 CO 0.04 0.45 1.07 0.44 -1.29 0.00 0.00 177.43 178.13 1w4a h ASP 319 N 0.29 0.11 -1.76 5.81 5.19 -1.55 -2.79 116.42 121.72 1w4a h ASP 319 Ca 0.06 0.06 -0.77 0.00 -0.62 0.00 0.00 57.03 55.75 1w4a h ASP 319 Cb 0.40 0.05 -0.19 0.00 0.18 0.00 0.00 39.33 39.77 1w4a h ASP 319 CO 0.02 -0.07 1.72 -0.62 -3.12 0.00 0.00 179.24 177.17 1w4a n GLU 320 N -4.31 4.61 0.00 3.56 1.02 -1.09 -4.19 120.64 120.23 1w4a n GLU 320 Ca 0.38 -3.96 0.00 0.00 -0.02 0.00 0.00 57.16 53.55 1w4a n GLU 320 Cb 1.61 -2.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1w4a n GLU 320 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1w4a n LEU 321 N 1.62 0.00 0.00 -4.62 4.77 -1.05 -4.97 117.00 112.75 1w4a n LEU 321 Ca 0.48 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1w4a n LEU 321 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1w4a n LEU 321 CO 0.68 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.95