#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 5.30 0.04 3.17 -4.36 -1.26 -5.11 121.20 118.99 1w4a s ILE 2 Ca 0.00 -0.45 0.05 0.00 -0.26 0.00 0.00 60.65 59.99 1w4a s ILE 2 Cb 0.00 -3.70 -0.02 0.00 1.25 0.00 0.00 42.46 39.99 1w4a s ILE 2 CO 0.00 -0.03 -0.15 -1.00 0.24 0.00 0.00 174.94 174.00 1w4a s HIS 3 N -1.70 1.32 -0.01 1.37 3.76 -1.26 -4.80 115.29 113.98 1w4a s HIS 3 Ca 0.36 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.92 1w4a s HIS 3 Cb -0.12 -0.78 -0.04 0.00 1.11 0.00 0.00 32.58 32.75 1w4a s HIS 3 CO 0.28 0.05 0.01 -0.51 -0.85 0.00 0.00 174.74 173.72 1w4a s LEU 4 N -1.19 3.58 0.04 0.89 1.43 -1.26 -5.12 118.68 117.05 1w4a s LEU 4 Ca 0.02 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1w4a s LEU 4 Cb -0.08 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1w4a s LEU 4 CO 0.01 0.29 0.00 -0.31 0.23 0.00 0.00 176.35 176.57 1w4a s TYR 5 N -1.09 0.37 0.45 0.29 2.02 -1.26 -4.98 117.35 113.16 1w4a s TYR 5 Ca 0.20 -0.78 0.03 0.00 -0.37 0.00 0.00 57.07 56.14 1w4a s TYR 5 Cb -0.12 -0.27 -0.01 0.00 -0.40 0.00 0.00 41.96 41.16 1w4a s TYR 5 CO 0.10 -0.33 0.10 -0.40 -1.57 0.00 0.00 175.55 173.45 1w4a n ASP 6 N 0.67 1.98 -0.34 2.29 5.68 -1.26 -4.95 116.55 120.63 1w4a n ASP 6 Ca -0.18 -3.24 0.03 0.00 -0.50 0.00 0.00 54.79 50.90 1w4a n ASP 6 Cb 0.59 0.82 0.20 0.00 -1.14 0.00 0.00 41.12 41.59 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 1.55 1.44 -0.04 2.12 0.00 -2.01 -0.61 119.26 121.70 1w4a h ALA 7 Ca -0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1w4a h ALA 7 Cb 1.26 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1w4a h ALA 7 CO 0.58 0.44 -0.02 0.87 0.00 0.00 0.00 179.25 181.12 1w4a h LYS 8 N 1.13 0.09 -0.02 0.00 1.57 -1.99 -1.46 116.57 115.90 1w4a h LYS 8 Ca 0.40 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 59.04 1w4a h LYS 8 Cb 0.13 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1w4a h LYS 8 CO -0.15 0.47 -0.46 0.66 -0.57 0.00 0.00 179.45 179.40 1w4a h SER 9 N -0.29 0.04 -0.22 0.86 4.64 -1.93 -1.99 113.55 114.65 1w4a h SER 9 Ca 0.01 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1w4a h SER 9 Cb 0.44 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1w4a h SER 9 CO 0.01 0.50 -0.07 0.15 -0.87 0.00 0.00 176.83 176.55 1w4a h PHE 10 N 0.03 0.49 -0.94 4.77 3.57 -1.05 -2.11 116.94 121.70 1w4a h PHE 10 Ca -0.00 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.43 1w4a h PHE 10 Cb 0.83 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 1w4a h PHE 10 CO 0.00 0.68 0.62 0.00 -2.23 0.00 0.00 178.31 177.38 1w4a h ALA 11 N 0.74 1.40 -0.79 2.41 0.00 -1.01 -1.78 119.26 120.24 1w4a h ALA 11 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1w4a h ALA 11 Cb 0.53 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1w4a h ALA 11 CO 0.02 0.51 0.31 0.87 0.00 0.00 0.00 179.25 180.96 1w4a h LYS 12 N 1.18 1.18 -0.01 0.00 1.57 -1.15 -1.79 116.57 117.55 1w4a h LYS 12 Ca 0.37 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1w4a h LYS 12 Cb 0.02 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1w4a h LYS 12 CO -0.12 0.96 0.00 1.25 -0.57 0.00 0.00 179.45 180.98 1w4a h LEU 13 N 1.14 0.01 -1.12 2.94 5.85 -0.75 -1.25 115.31 122.13 1w4a h LEU 13 Ca 0.26 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1w4a h LEU 13 Cb 0.23 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1w4a h LEU 13 CO -0.02 0.10 0.60 0.03 -0.34 0.00 0.00 178.44 178.81 1w4a h ARG 14 N -0.09 1.11 -0.52 1.25 2.47 -1.18 0.20 114.38 117.62 1w4a h ARG 14 Ca 0.00 -0.07 -0.08 0.00 -1.26 0.00 0.00 59.98 58.57 1w4a h ARG 14 Cb 0.10 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.15 1w4a h ARG 14 CO -0.00 0.74 -0.01 0.00 0.56 0.00 0.00 179.97 181.26 1w4a h ALA 15 N 1.47 1.00 -0.25 0.04 0.00 -1.01 -0.33 119.26 120.17 1w4a h ALA 15 Ca 0.36 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1w4a h ALA 15 Cb 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1w4a h ALA 15 CO -0.11 0.61 -0.48 0.00 0.00 0.00 0.00 179.25 179.27 1w4a h ALA 16 N 1.16 0.40 -0.30 0.00 0.00 -0.07 -1.97 119.26 118.48 1w4a h ALA 16 Ca 0.15 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1w4a h ALA 16 Cb 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1w4a h ALA 16 CO 0.02 0.56 0.15 1.96 0.00 0.00 0.00 179.25 181.95 1w4a h GLN 17 N 0.52 0.42 -0.70 0.00 4.20 -0.48 0.17 115.11 119.24 1w4a h GLN 17 Ca 0.01 -0.06 0.10 0.00 0.06 0.00 0.00 58.65 58.76 1w4a h GLN 17 Cb 1.09 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.71 1w4a h GLN 17 CO 0.11 0.38 0.34 -0.92 -0.67 0.00 0.00 178.83 178.07 1w4a h TYR 18 N 0.36 0.60 -0.31 2.96 5.03 -1.00 -2.08 116.97 122.53 1w4a h TYR 18 Ca 0.10 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.31 1w4a h TYR 18 Cb 0.09 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 1w4a h TYR 18 CO -0.02 0.21 -0.35 0.00 -1.32 0.00 0.00 178.16 176.67 1w4a h ALA 19 N 1.43 0.79 -0.09 1.82 0.00 -0.89 -1.38 119.26 120.94 1w4a h ALA 19 Ca 0.35 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1w4a h ALA 19 Cb 0.38 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1w4a h ALA 19 CO -0.28 0.65 0.23 0.00 0.00 0.00 0.00 179.25 179.85 1w4a h ALA 20 N 1.02 1.47 0.00 0.00 0.00 -0.24 0.21 119.26 121.71 1w4a h ALA 20 Ca 0.06 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 1w4a h ALA 20 Cb 0.88 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1w4a h ALA 20 CO 0.08 -0.27 -1.72 0.34 0.00 0.00 0.00 179.25 177.67 1w4a n PHE 21 N -3.28 0.00 -0.06 0.00 7.35 -1.12 -1.30 117.46 119.05 1w4a n PHE 21 Ca -0.00 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.53 1w4a n PHE 21 Cb 0.31 -0.59 -0.04 0.00 0.35 0.00 0.00 39.48 39.51 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 -0.67 1.07 0.00 -5.13 3.86 -1.17 -3.40 115.15 109.71 1w4a h HIS 22 Ca -0.36 -0.41 0.00 0.00 -1.16 0.00 0.00 60.37 58.44 1w4a h HIS 22 Cb 1.24 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.52 1w4a h HIS 22 CO -0.11 1.24 -0.82 0.25 0.86 0.00 0.00 177.93 179.34 1w4a n THR 23 N -3.98 0.00 -1.21 2.45 -2.24 -0.65 -5.05 114.28 103.60 1w4a n THR 23 Ca -0.05 -0.06 -0.34 0.00 -2.27 0.00 0.00 64.05 61.33 1w4a n THR 23 Cb 0.66 0.54 0.12 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.35 1.16 -4.73 3.42 8.00 -0.03 -4.90 116.55 118.12 1w4a n ASP 24 Ca 0.00 0.63 -0.42 0.00 0.71 0.00 0.00 54.79 55.71 1w4a n ASP 24 Cb 0.00 -1.51 -0.03 0.00 -0.02 0.00 0.00 41.12 39.56 1w4a n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1w4a s ALA 25 N -2.00 3.55 0.09 2.24 0.00 -1.26 -4.91 121.76 119.47 1w4a s ALA 25 Ca 0.75 1.12 -0.35 0.00 0.00 0.00 0.00 51.96 53.47 1w4a s ALA 25 Cb -0.31 -3.50 -0.15 0.00 0.00 0.00 0.00 23.12 19.16 1w4a s ALA 25 CO 0.49 -0.57 1.50 -2.30 0.00 0.00 0.00 175.76 174.89 1w4a n PRO 26 N 2.99 1.67 -0.98 0.00 -0.02 -1.26 -1.41 135.00 135.99 1w4a n PRO 26 Ca 0.08 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1w4a n PRO 26 Cb 0.43 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 3.14 0.96 0.25 -1.23 0.00 -0.71 -4.81 105.19 102.78 1w4a n GLY 27 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 0.46 -0.71 1.61 4.64 -1.45 -2.66 113.55 115.43 1w4a h SER 28 Ca 0.00 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.13 1w4a h SER 28 Cb 0.00 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 1w4a h SER 28 CO 0.00 0.64 0.20 -0.25 -0.87 0.00 0.00 176.83 176.56 1w4a h TRP 29 N 0.43 1.17 -0.59 4.77 2.91 -1.83 -0.22 115.95 122.58 1w4a h TRP 29 Ca 0.08 -0.13 0.01 0.00 1.13 0.00 0.00 58.89 59.98 1w4a h TRP 29 Cb 0.53 -0.34 -0.03 0.00 -0.51 0.00 0.00 29.16 28.82 1w4a h TRP 29 CO 0.02 0.94 0.39 0.35 -1.03 0.00 0.00 178.44 179.10 1w4a h PHE 30 N 1.07 0.74 -0.64 2.65 3.57 -1.61 0.66 116.94 123.37 1w4a h PHE 30 Ca 0.23 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1w4a h PHE 30 Cb 0.33 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1w4a h PHE 30 CO 0.03 0.46 0.35 -0.44 -2.23 0.00 0.00 178.31 176.48 1w4a h ASP 31 N 0.79 0.80 -0.46 0.41 3.45 -1.13 0.51 116.42 120.80 1w4a h ASP 31 Ca 0.22 -0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.57 1w4a h ASP 31 Cb -0.08 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.46 1w4a h ASP 31 CO -0.05 0.66 0.23 -0.74 -1.57 0.00 0.00 179.24 177.77 1w4a h HIS 32 N 0.87 0.64 0.00 4.55 2.76 -0.27 -1.97 115.15 121.73 1w4a h HIS 32 Ca 0.23 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.28 1w4a h HIS 32 Cb 0.04 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 1w4a h HIS 32 CO -0.01 0.50 -0.42 1.79 -1.30 0.00 0.00 177.93 178.49 1w4a h THR 33 N 0.60 1.13 -0.79 6.26 1.35 -0.54 -2.02 112.91 118.90 1w4a h THR 33 Ca 0.16 -1.55 -0.04 0.00 -0.55 0.00 0.00 66.41 64.43 1w4a h THR 33 Cb 0.09 1.88 -0.04 0.00 -1.73 0.00 0.00 68.15 68.35 1w4a h THR 33 CO -0.02 0.42 0.33 0.28 -0.25 0.00 0.00 175.52 176.27 1w4a h SER 34 N 0.00 1.07 -0.28 5.36 0.02 -0.51 -0.77 113.55 118.44 1w4a h SER 34 Ca -0.00 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 1w4a h SER 34 Cb 0.84 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1w4a h SER 34 CO 0.06 0.94 -0.16 1.23 -1.14 0.00 0.00 176.83 177.75 1w4a h GLY 35 N 1.16 0.78 0.81 -3.77 0.00 -0.76 -1.71 103.07 99.58 1w4a h GLY 35 Ca 0.27 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 1w4a h GLY 35 CO -0.02 0.56 -0.02 -2.08 0.00 0.00 0.00 176.54 174.98 1w4a h VAL 36 N 0.65 1.27 -0.65 4.60 2.07 -0.94 -2.62 116.25 120.63 1w4a h VAL 36 Ca 0.10 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.69 1w4a h VAL 36 Cb 0.63 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1w4a h VAL 36 CO 0.04 0.29 0.41 -0.07 0.02 0.00 0.00 177.57 178.26 1w4a h LEU 37 N 0.11 0.69 -1.38 2.57 3.38 -0.99 -2.55 115.31 117.13 1w4a h LEU 37 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1w4a h LEU 37 Cb 0.44 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1w4a h LEU 37 CO 0.01 0.49 -0.05 1.05 0.09 0.00 0.00 178.44 180.03 1w4a h GLU 38 N 0.82 0.00 -0.11 1.13 4.11 -1.29 -2.70 114.58 116.53 1w4a h GLU 38 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 1w4a h GLU 38 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1w4a h GLU 38 CO -0.08 0.05 0.00 -1.13 0.07 0.00 0.00 179.01 177.91 1w4a n SER 39 N -3.17 1.26 -4.81 3.06 3.41 -0.97 -4.88 113.62 107.52 1w4a n SER 39 Ca 0.00 -1.61 -0.33 0.00 -0.26 0.00 0.00 58.87 56.67 1w4a n SER 39 Cb 0.33 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.86 4.18 0.40 -3.33 1.01 -1.02 -5.01 120.40 114.77 1w4a s VAL 40 Ca 0.32 1.31 -0.27 0.00 0.00 0.00 0.00 61.98 63.34 1w4a s VAL 40 Cb 0.17 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 1w4a s VAL 40 CO 0.26 -0.34 1.38 -1.61 0.00 0.00 0.00 175.10 174.79 1w4a s GLU 41 N -3.33 4.00 0.57 2.72 2.02 -1.26 -4.94 118.70 118.48 1w4a s GLU 41 Ca 0.63 2.33 -0.21 0.00 0.02 0.00 0.00 54.97 57.74 1w4a s GLU 41 Cb -0.12 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 1w4a s GLU 41 CO 0.18 -0.53 1.34 -0.25 0.02 0.00 0.00 175.26 176.02 1w4a n ASP 42 N 0.24 2.51 0.00 -0.19 8.00 -1.26 -1.60 116.55 124.25 1w4a n ASP 42 Ca 0.03 0.94 0.00 0.00 0.71 0.00 0.00 54.79 56.47 1w4a n ASP 42 Cb 0.42 -1.57 0.00 0.00 -0.02 0.00 0.00 41.12 39.95 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 0.81 2.50 3.70 0.44 0.00 -1.26 -4.99 105.19 106.39 1w4a n GLY 43 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.23 4.24 0.18 2.61 2.01 -0.63 -4.98 115.64 115.84 1w4a s THR 44 Ca 0.00 1.59 -0.31 0.00 0.31 0.00 0.00 61.69 63.28 1w4a s THR 44 Cb 0.00 -4.02 -0.10 0.00 0.01 0.00 0.00 72.50 68.39 1w4a s THR 44 CO 0.00 0.07 1.49 -2.84 -0.69 0.00 0.00 174.62 172.65 1w4a s PRO 45 N 1.59 4.25 0.00 4.92 0.02 -1.26 -4.15 135.00 140.38 1w4a s PRO 45 Ca 0.57 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.87 1w4a s PRO 45 Cb -0.26 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.10 1w4a s PRO 45 CO 0.26 -0.51 0.00 1.33 -0.33 0.00 0.00 177.00 177.74 1w4a n VAL 46 N 3.46 0.00 -3.71 3.83 0.24 -0.05 -4.57 118.33 117.54 1w4a n VAL 46 Ca 0.11 -0.13 -0.11 0.00 -2.04 0.00 0.00 64.34 62.17 1w4a n VAL 46 Cb 0.40 0.60 -0.11 0.00 -1.47 0.00 0.00 33.84 33.26 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 -2.37 0.06 -0.06 1.34 2.96 -1.12 -0.15 118.68 119.34 1w4a s LEU 47 Ca 0.00 0.88 0.04 0.00 -0.22 0.00 0.00 54.13 54.83 1w4a s LEU 47 Cb 0.00 1.37 -0.00 0.00 0.50 0.00 0.00 46.19 48.06 1w4a s LEU 47 CO 0.00 -0.18 -0.19 0.00 -1.32 0.00 0.00 176.35 174.66 1w4a s ALA 48 N 1.05 1.76 -0.01 5.97 0.00 -0.39 -1.12 121.76 129.03 1w4a s ALA 48 Ca -0.07 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1w4a s ALA 48 Cb -0.07 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 1w4a s ALA 48 CO -0.09 0.27 -0.04 -1.50 0.00 0.00 0.00 175.76 174.40 1w4a s ILE 49 N 0.20 0.35 0.25 0.00 2.07 -0.76 -0.59 121.20 122.72 1w4a s ILE 49 Ca -0.10 -0.18 -0.30 0.00 -1.41 0.00 0.00 60.65 58.67 1w4a s ILE 49 Cb -0.14 -0.31 -0.09 0.00 0.13 0.00 0.00 42.46 42.04 1w4a s ILE 49 CO 0.04 0.11 1.17 -0.83 -1.91 0.00 0.00 174.94 173.52 1w4a s GLY 50 N -0.03 2.91 0.59 1.50 0.00 -1.26 -1.14 107.32 109.89 1w4a s GLY 50 Ca 0.01 0.97 0.03 0.00 0.00 0.00 0.00 44.72 45.73 1w4a s GLY 50 CO -0.00 1.69 0.82 -1.34 0.00 0.00 0.00 173.10 174.27 1w4a s VAL 51 N -0.74 2.44 0.27 1.40 -7.23 0.12 -4.85 120.40 111.81 1w4a s VAL 51 Ca 0.48 -0.75 -0.08 0.00 -1.81 0.00 0.00 61.98 59.82 1w4a s VAL 51 Cb -0.33 -2.68 0.42 0.00 0.56 0.00 0.00 36.38 34.35 1w4a s VAL 51 CO 0.41 0.00 1.57 -0.08 -0.31 0.00 0.00 175.10 176.69 1w4a h GLU 52 N -0.02 0.00 -0.28 4.82 4.81 -1.88 -0.09 114.58 121.94 1w4a h GLU 52 Ca -0.37 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1w4a h GLU 52 Cb 1.28 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1w4a h GLU 52 CO 0.45 0.00 0.12 0.66 -0.73 0.00 0.00 179.01 179.51 1w4a h SER 53 N 0.00 0.34 0.00 1.04 4.64 -1.95 -1.70 113.55 115.93 1w4a h SER 53 Ca 0.46 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1w4a h SER 53 Cb 0.72 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1w4a h SER 53 CO -0.97 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 175.92 1w4a n GLY 54 N -1.31 1.72 3.71 -0.77 0.00 -0.05 -4.67 105.19 103.83 1w4a n GLY 54 Ca 0.01 0.00 -0.29 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 -1.80 3.14 0.11 1.61 -0.00 -1.26 -4.69 116.67 113.78 1w4a s ASP 55 Ca 0.00 1.29 0.09 0.00 -0.00 0.00 0.00 52.55 53.93 1w4a s ASP 55 Cb 0.00 -1.96 -0.04 0.00 -0.00 0.00 0.00 42.92 40.92 1w4a s ASP 55 CO 0.00 -2.82 -0.23 0.00 -0.00 0.00 0.00 175.17 172.12 1w4a s ALA 56 N -2.99 1.99 0.21 5.23 0.00 -1.26 0.12 121.76 125.05 1w4a s ALA 56 Ca 0.64 -1.30 0.08 0.00 0.00 0.00 0.00 51.96 51.38 1w4a s ALA 56 Cb -0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1w4a s ALA 56 CO 0.57 0.42 0.02 0.96 0.00 0.00 0.00 175.76 177.73 1w4a s ILE 57 N -1.10 3.72 0.05 0.00 -4.36 -0.30 -2.28 121.20 116.93 1w4a s ILE 57 Ca 0.09 -1.56 0.08 0.00 -0.26 0.00 0.00 60.65 59.00 1w4a s ILE 57 Cb -0.10 -2.92 -0.03 0.00 1.25 0.00 0.00 42.46 40.66 1w4a s ILE 57 CO 0.05 -0.21 -0.23 -0.69 0.24 0.00 0.00 174.94 174.09 1w4a s VAL 58 N -1.94 1.91 0.09 8.37 1.01 -1.26 -1.83 120.40 126.75 1w4a s VAL 58 Ca 0.29 -1.34 0.06 0.00 0.00 0.00 0.00 61.98 60.99 1w4a s VAL 58 Cb -0.08 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1w4a s VAL 58 CO 0.20 0.25 -0.16 -0.36 0.00 0.00 0.00 175.10 175.03 1w4a s PHE 59 N -0.84 1.40 0.66 5.22 0.40 -0.27 -0.75 117.98 123.79 1w4a s PHE 59 Ca 0.10 -0.47 0.05 0.00 -0.60 0.00 0.00 56.93 56.00 1w4a s PHE 59 Cb -0.09 -0.77 0.12 0.00 0.51 0.00 0.00 43.02 42.79 1w4a s PHE 59 CO 0.02 0.11 0.91 -0.40 0.70 0.00 0.00 175.22 176.57 1w4a n ASP 60 N 1.05 1.75 0.26 1.36 5.68 -0.53 -0.87 116.55 125.26 1w4a n ASP 60 Ca -0.19 -2.35 0.15 0.00 -0.50 0.00 0.00 54.79 51.89 1w4a n ASP 60 Cb 0.55 -0.54 0.78 0.00 -1.14 0.00 0.00 41.12 40.76 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 -0.57 0.11 2.10 -1.89 -1.13 116.57 115.19 1w4a h LYS 61 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1w4a h LYS 61 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1w4a h LYS 61 CO 0.38 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.92 1w4a n ASN 62 N -2.62 4.75 -2.06 7.07 5.03 -1.26 -4.92 115.26 121.24 1w4a n ASN 62 Ca -0.02 -2.58 -0.16 0.00 0.87 0.00 0.00 54.58 52.69 1w4a n ASN 62 Cb 0.21 -0.57 0.01 0.00 -1.02 0.00 0.00 39.78 38.40 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 0.80 -0.61 -2.85 5.41 0.00 -0.43 -5.01 120.51 117.83 1w4a n ALA 63 Ca 0.25 0.18 -0.34 0.00 0.00 0.00 0.00 53.44 53.53 1w4a n ALA 63 Cb 0.92 -2.48 -0.12 0.00 0.00 0.00 0.00 19.45 17.78 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 -5.13 3.41 0.44 0.00 -1.52 -1.26 -4.89 119.66 110.72 1w4a s GLN 64 Ca 0.13 -0.51 -0.25 0.00 -1.95 0.00 0.00 55.36 52.78 1w4a s GLN 64 Cb -0.06 -2.84 -0.08 0.00 -0.22 0.00 0.00 33.01 29.82 1w4a s GLN 64 CO 0.16 0.38 1.32 1.03 -0.25 0.00 0.00 175.29 177.93 1w4a s ARG 65 N -0.02 3.78 -0.22 2.91 0.52 -1.26 -1.45 118.95 123.22 1w4a s ARG 65 Ca 0.01 2.18 -0.07 0.00 -0.52 0.00 0.00 55.73 57.33 1w4a s ARG 65 Cb -0.13 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.67 1w4a s ARG 65 CO 0.03 -0.66 0.05 0.42 0.02 0.00 0.00 175.30 175.16 1w4a s ILE 66 N -1.29 4.35 -0.18 1.52 1.01 0.07 -4.88 121.20 121.81 1w4a s ILE 66 Ca 0.60 -0.17 0.15 0.00 0.00 0.00 0.00 60.65 61.23 1w4a s ILE 66 Cb -0.38 -3.00 -0.24 0.00 0.01 0.00 0.00 42.46 38.85 1w4a s ILE 66 CO 0.49 0.39 0.14 1.33 0.00 0.00 0.00 174.94 177.29 1w4a n VAL 67 N 4.35 1.45 -3.84 2.92 0.24 -1.26 -4.48 118.33 117.71 1w4a n VAL 67 Ca -0.16 -0.81 -0.16 0.00 -2.04 0.00 0.00 64.34 61.16 1w4a n VAL 67 Cb 0.52 -0.70 -0.16 0.00 -1.47 0.00 0.00 33.84 32.03 1w4a n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1w4a s ALA 68 N -2.51 0.21 -0.27 2.33 0.00 -1.26 -1.07 121.76 119.19 1w4a s ALA 68 Ca -0.12 0.23 -0.06 0.00 0.00 0.00 0.00 51.96 52.00 1w4a s ALA 68 Cb 0.07 -0.31 0.14 0.00 0.00 0.00 0.00 23.12 23.01 1w4a s ALA 68 CO 0.80 -0.12 0.54 -0.47 0.00 0.00 0.00 175.76 176.51 1w4a s TYR 69 N 1.13 -1.19 0.46 0.00 6.14 -0.03 -4.91 117.35 118.94 1w4a s TYR 69 Ca -0.08 1.75 -0.21 0.00 0.64 0.00 0.00 57.07 59.16 1w4a s TYR 69 Cb -0.13 0.50 -0.09 0.00 0.42 0.00 0.00 41.96 42.66 1w4a s TYR 69 CO -0.02 -0.68 1.02 0.15 0.64 0.00 0.00 175.55 176.66 1w4a s LYS 70 N 2.76 3.96 0.08 4.97 1.02 -1.26 -0.08 119.74 131.20 1w4a s LYS 70 Ca 0.05 1.34 -0.21 0.00 0.02 0.00 0.00 55.97 57.17 1w4a s LYS 70 Cb -0.13 -2.21 -0.12 0.00 -0.52 0.00 0.00 37.83 34.85 1w4a s LYS 70 CO -0.17 -0.29 0.46 -1.91 -0.92 0.00 0.00 175.35 172.52 1w4a n GLU 71 N -0.71 0.00 -3.50 1.68 2.13 -1.26 -4.78 120.64 114.20 1w4a n GLU 71 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1w4a n GLU 71 Cb 0.52 -0.76 -0.03 0.00 0.27 0.00 0.00 31.44 31.44 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 -0.42 0.57 0.21 5.31 2.36 -0.91 -5.00 119.74 121.86 1w4a s LYS 72 Ca 0.47 1.33 0.05 0.00 -2.55 0.00 0.00 55.97 55.27 1w4a s LYS 72 Cb -0.68 0.78 -0.03 0.00 -1.05 0.00 0.00 37.83 36.85 1w4a s LYS 72 CO 0.36 -0.32 0.23 -1.12 1.55 0.00 0.00 175.35 176.06 1w4a s SER 73 N 2.89 5.84 -0.11 1.43 0.01 -1.26 -1.72 113.70 120.78 1w4a s SER 73 Ca 0.02 -0.07 -0.04 0.00 1.31 0.00 0.00 55.95 57.17 1w4a s SER 73 Cb -0.13 -1.61 0.06 0.00 0.21 0.00 0.00 66.02 64.55 1w4a s SER 73 CO -0.20 -0.00 0.18 -0.69 0.41 0.00 0.00 173.24 172.94 1w4a s VAL 74 N -1.93 -0.28 -0.13 3.43 1.01 0.11 -4.96 120.40 117.65 1w4a s VAL 74 Ca 0.33 0.26 -0.26 0.00 0.00 0.00 0.00 61.98 62.31 1w4a s VAL 74 Cb -0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1w4a s VAL 74 CO 0.26 0.08 0.84 -0.75 0.00 0.00 0.00 175.10 175.52 1w4a s LYS 75 N 2.31 4.35 0.00 2.72 2.20 -1.26 -0.59 119.74 129.46 1w4a s LYS 75 Ca 0.03 1.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 1w4a s LYS 75 Cb -0.13 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 1w4a s LYS 75 CO -0.07 -0.24 0.00 0.00 -0.36 0.00 0.00 175.35 174.68 1w4a n ALA 76 N 4.88 0.00 -0.03 3.13 0.00 0.12 -4.97 120.51 123.64 1w4a n ALA 76 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 1w4a n ALA 76 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.02 0.00 0.00 4.81 -1.97 -3.16 114.58 114.24 1w4a h GLU 77 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1w4a h GLU 77 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1w4a h GLU 77 CO 0.00 0.65 0.00 -0.40 -0.73 0.00 0.00 179.01 178.53 1w4a n ASP 78 N -4.77 0.00 0.00 1.04 3.85 -1.26 -4.74 116.55 110.67 1w4a n ASP 78 Ca -0.09 -0.70 0.00 0.00 -0.71 0.00 0.00 54.79 53.29 1w4a n ASP 78 Cb 0.33 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.10 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 -0.12 1.15 3.76 6.12 0.00 -1.20 -5.04 105.19 109.86 1w4a n GLY 79 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.10 4.11 -0.06 1.61 1.04 -1.26 -4.71 113.70 111.33 1w4a s SER 80 Ca 0.00 1.55 0.03 0.00 0.48 0.00 0.00 55.95 58.02 1w4a s SER 80 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1w4a s SER 80 CO 0.00 -2.25 -0.15 -0.69 0.98 0.00 0.00 173.24 171.13 1w4a s VAL 81 N -2.98 1.34 -0.15 5.02 1.01 -1.26 0.14 120.40 123.51 1w4a s VAL 81 Ca 0.62 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 1w4a s VAL 81 Cb -0.17 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1w4a s VAL 81 CO 0.56 0.39 0.03 -0.55 0.00 0.00 0.00 175.10 175.54 1w4a s SER 82 N 0.34 5.40 -0.07 3.32 0.15 0.24 -4.92 113.70 118.16 1w4a s SER 82 Ca -0.10 0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.64 1w4a s SER 82 Cb -0.14 -1.83 0.01 0.00 -1.71 0.00 0.00 66.02 62.35 1w4a s SER 82 CO 0.03 0.23 -0.13 -0.69 1.20 0.00 0.00 173.24 173.89 1w4a s VAL 83 N 0.04 1.19 -0.04 4.45 1.01 -1.26 0.09 120.40 125.87 1w4a s VAL 83 Ca 0.04 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1w4a s VAL 83 Cb -0.13 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 1w4a s VAL 83 CO 0.01 0.37 -0.23 -0.69 0.00 0.00 0.00 175.10 174.56 1w4a s VAL 84 N 0.77 1.88 -0.19 2.92 1.01 -0.70 -2.46 120.40 123.62 1w4a s VAL 84 Ca -0.12 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.76 1w4a s VAL 84 Cb -0.16 -1.58 0.06 0.00 0.00 0.00 0.00 36.38 34.71 1w4a s VAL 84 CO 0.03 0.53 0.47 -1.58 0.00 0.00 0.00 175.10 174.55 1w4a s GLN 85 N -0.27 0.47 -0.08 2.72 0.74 0.41 -2.15 119.66 121.50 1w4a s GLN 85 Ca 0.01 0.88 0.05 0.00 0.05 0.00 0.00 55.36 56.35 1w4a s GLN 85 Cb -0.12 0.02 -0.00 0.00 1.10 0.00 0.00 33.01 34.01 1w4a s GLN 85 CO 0.02 -0.15 -0.24 0.08 -0.55 0.00 0.00 175.29 174.44 1w4a s VAL 86 N 1.41 2.02 -0.05 1.34 1.01 0.88 0.71 120.40 127.73 1w4a s VAL 86 Ca -0.09 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 1w4a s VAL 86 Cb -0.07 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.61 1w4a s VAL 86 CO -0.14 0.56 0.09 -0.70 0.00 0.00 0.00 175.10 174.91 1w4a s GLU 87 N 0.11 0.00 -1.51 2.72 2.12 -0.50 -0.85 118.70 120.79 1w4a s GLU 87 Ca -0.12 0.33 -0.13 0.00 0.36 0.00 0.00 54.97 55.41 1w4a s GLU 87 Cb -0.16 -0.28 0.08 0.00 0.26 0.00 0.00 34.13 34.04 1w4a s GLU 87 CO 0.06 -0.22 0.92 0.09 -0.54 0.00 0.00 175.26 175.58 1w4a n ASN 88 N 4.54 -4.83 0.00 -1.70 4.13 -1.02 -1.83 115.26 114.54 1w4a n ASN 88 Ca -0.20 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.34 1w4a n ASN 88 Cb 0.50 -3.87 0.00 0.00 -1.54 0.00 0.00 39.78 34.88 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 -1.64 1.81 3.25 7.41 0.00 -0.23 -5.03 105.19 110.76 1w4a n GLY 89 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.00 1.76 0.17 1.61 0.40 -0.76 -4.56 117.98 113.59 1w4a s PHE 90 Ca 0.00 -0.38 -0.32 0.00 -0.60 0.00 0.00 56.93 55.63 1w4a s PHE 90 Cb 0.00 -1.03 -0.11 0.00 0.51 0.00 0.00 43.02 42.40 1w4a s PHE 90 CO 0.00 0.11 1.71 1.41 0.70 0.00 0.00 175.22 179.16 1w4a s MET 91 N -1.35 4.15 -0.24 0.44 -2.45 -0.97 -1.41 119.30 117.48 1w4a s MET 91 Ca 0.07 2.54 0.04 0.00 -1.25 0.00 0.00 55.69 57.08 1w4a s MET 91 Cb -0.09 -3.25 -0.17 0.00 1.25 0.00 0.00 34.83 32.56 1w4a s MET 91 CO 0.02 -0.74 -0.18 1.17 1.05 0.00 0.00 175.02 176.34 1w4a n LYS 92 N 4.51 0.65 -4.04 4.11 3.00 0.22 -4.78 118.16 121.83 1w4a n LYS 92 Ca 0.16 0.12 -0.16 0.00 -0.00 0.00 0.00 58.31 58.43 1w4a n LYS 92 Cb 0.37 -1.49 -0.15 0.00 0.00 0.00 0.00 35.03 33.75 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 -2.49 0.37 0.00 1.64 -0.21 -0.92 -4.94 119.66 113.11 1w4a s GLN 93 Ca -0.30 -0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.01 1w4a s GLN 93 Cb 0.08 -0.43 0.00 0.00 1.00 0.00 0.00 33.01 33.66 1w4a s GLN 93 CO 0.60 -0.01 0.00 0.41 -2.12 0.00 0.00 175.29 174.17 1w4a n GLY 94 N 3.49 0.53 3.18 3.09 0.00 -1.03 -0.44 105.19 114.00 1w4a n GLY 94 Ca -0.19 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.80 0.88 0.47 1.61 -3.43 -1.26 -5.04 115.29 105.72 1w4a s HIS 95 Ca 0.00 -1.22 -0.17 0.00 -0.80 0.00 0.00 55.06 52.86 1w4a s HIS 95 Cb 0.00 -0.46 -0.09 0.00 -1.43 0.00 0.00 32.58 30.61 1w4a s HIS 95 CO 0.00 -0.56 0.95 1.03 -2.00 0.00 0.00 174.74 174.15 1w4a s ARG 96 N -4.06 4.03 0.00 -0.38 0.52 -1.26 -4.65 118.95 113.15 1w4a s ARG 96 Ca 0.26 0.96 0.00 0.00 -0.52 0.00 0.00 55.73 56.44 1w4a s ARG 96 Cb 0.07 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.36 1w4a s ARG 96 CO 0.04 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.61 1w4a n GLY 97 N -1.21 -0.70 3.72 -3.53 0.00 0.24 -4.93 105.19 98.78 1w4a n GLY 97 Ca 0.06 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 3.39 -2.61 1.61 0.52 -1.26 -1.26 118.94 119.33 1w4a s TRP 98 Ca 0.00 1.23 0.25 0.00 0.02 0.00 0.00 56.10 57.60 1w4a s TRP 98 Cb 0.00 -3.48 0.66 0.00 -1.15 0.00 0.00 33.47 29.49 1w4a s TRP 98 CO 0.00 -1.54 1.52 1.28 0.02 0.00 0.00 176.95 178.23 1w4a n LEU 99 N 3.78 2.23 -4.24 2.99 4.77 0.79 -4.87 117.00 122.45 1w4a n LEU 99 Ca 0.09 -0.81 -0.16 0.00 -0.03 0.00 0.00 56.01 55.10 1w4a n LEU 99 Cb 0.45 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.39 1w4a n LEU 99 CO 0.56 0.40 -0.43 0.68 -1.33 0.00 0.00 177.39 177.27 1w4a s VAL 100 N -1.90 1.27 -0.57 4.08 -7.23 -1.25 -4.88 120.40 109.91 1w4a s VAL 100 Ca 0.34 -1.85 -0.26 0.00 -1.81 0.00 0.00 61.98 58.40 1w4a s VAL 100 Cb 0.20 -1.64 0.03 0.00 0.56 0.00 0.00 36.38 35.54 1w4a s VAL 100 CO 0.31 -0.55 1.09 -0.62 -0.31 0.00 0.00 175.10 175.02 1w4a s ASP 101 N -2.74 6.39 0.09 4.85 2.15 -1.26 -4.86 116.67 121.30 1w4a s ASP 101 Ca 0.12 -0.11 0.21 0.00 0.43 0.00 0.00 52.55 53.20 1w4a s ASP 101 Cb -0.02 -2.50 -0.13 0.00 -0.30 0.00 0.00 42.92 39.97 1w4a s ASP 101 CO 0.02 -1.39 0.81 0.18 -0.17 0.00 0.00 175.17 174.62 1w4a n LEU 102 N 8.06 0.60 -0.11 -1.34 4.77 -1.26 -4.64 117.00 123.07 1w4a n LEU 102 Ca 0.05 0.24 -0.19 0.00 -0.03 0.00 0.00 56.01 56.08 1w4a n LEU 102 Cb 0.48 0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 1w4a n LEU 102 CO 0.68 -0.04 -1.23 0.35 -1.33 0.00 0.00 177.39 175.83 1w4a n THR 103 N -2.62 1.21 -1.46 -5.08 -2.24 -1.26 -4.90 114.28 97.92 1w4a n THR 103 Ca -0.05 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1w4a n THR 103 Cb 0.65 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 1w4a n THR 103 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w4a n GLY 104 N 2.03 0.70 0.18 3.38 0.00 -1.26 -2.87 105.19 107.35 1w4a n GLY 104 Ca -0.41 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.04 1w4a n GLY 104 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1w4a h GLU 105 N 0.00 0.00 -5.52 1.61 5.08 -2.01 -3.40 114.58 110.34 1w4a h GLU 105 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 1w4a h GLU 105 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 1w4a h GLU 105 CO 0.00 0.00 1.67 -1.17 -1.00 0.00 0.00 179.01 178.51 1w4a s LEU 106 N -5.44 4.24 0.45 1.33 2.96 -1.14 -4.95 118.68 116.12 1w4a s LEU 106 Ca 0.07 -2.34 0.06 0.00 -0.22 0.00 0.00 54.13 51.70 1w4a s LEU 106 Cb 0.08 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 1w4a s LEU 106 CO 0.61 -1.11 0.15 0.68 -1.32 0.00 0.00 176.35 175.35 1w4a s VAL 107 N 3.49 1.96 -0.73 1.68 -7.23 -1.26 -4.77 120.40 113.54 1w4a s VAL 107 Ca 0.47 -1.78 -0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1w4a s VAL 107 Cb 0.00 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.20 1w4a s VAL 107 CO 0.00 0.00 0.03 0.61 -0.31 0.00 0.00 175.10 175.44 1w4a n GLY 108 N -1.26 0.03 3.83 2.32 0.00 -1.26 -4.92 105.19 103.93 1w4a n GLY 108 Ca -0.05 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.38 1.63 -4.64 0.00 7.64 -1.26 -4.87 113.62 110.74 1w4a n SER 110 Ca -0.00 -2.97 -0.53 0.00 1.01 0.00 0.00 58.87 56.38 1w4a n SER 110 Cb 0.61 -0.65 -0.06 0.00 -1.01 0.00 0.00 64.21 63.10 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 1.43 1.33 -1.68 1.43 -0.02 -1.26 -4.38 135.00 131.86 1w4a n PRO 111 Ca 0.25 0.48 -0.47 0.00 -2.02 0.00 0.00 63.50 61.74 1w4a n PRO 111 Cb 0.46 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 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 3.39 0.33 -0.03 -1.45 3.14 -0.42 -1.21 118.33 122.10 1w4a n VAL 112 Ca 0.21 -0.06 0.01 0.00 -2.96 0.00 0.00 64.34 61.54 1w4a n VAL 112 Cb 0.19 -1.74 -0.14 0.00 -1.06 0.00 0.00 33.84 31.09 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 4.41 0.79 -3.62 1.55 3.14 0.43 -1.74 118.33 123.28 1w4a n VAL 113 Ca 0.20 -0.67 -0.02 0.00 -2.96 0.00 0.00 64.34 60.89 1w4a n VAL 113 Cb 0.29 -0.35 -0.01 0.00 -1.06 0.00 0.00 33.84 32.72 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 -3.01 -2.07 -0.05 1.55 0.00 -1.19 -3.24 121.76 113.75 1w4a s ALA 114 Ca -0.07 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.79 1w4a s ALA 114 Cb 0.10 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.50 1w4a s ALA 114 CO 0.85 -0.90 -0.10 -2.00 0.00 0.00 0.00 175.76 173.61 1w4a s GLU 115 N -2.60 1.35 -0.18 0.00 2.12 -1.26 -0.15 118.70 117.98 1w4a s GLU 115 Ca 0.12 -0.34 -0.15 0.00 0.36 0.00 0.00 54.97 54.96 1w4a s GLU 115 Cb 0.02 -1.18 0.05 0.00 0.26 0.00 0.00 34.13 33.28 1w4a s GLU 115 CO -0.04 0.05 0.46 0.12 -0.54 0.00 0.00 175.26 175.31 1w4a s PHE 116 N 0.54 -0.54 -1.49 5.30 5.36 -0.18 -4.90 117.98 122.06 1w4a s PHE 116 Ca -0.10 1.28 0.00 0.00 -0.96 0.00 0.00 56.93 57.14 1w4a s PHE 116 Cb -0.13 0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.75 1w4a s PHE 116 CO 0.02 -0.27 0.00 0.41 -1.46 0.00 0.00 175.22 173.92 1w4a n GLY 117 N 3.12 0.37 1.36 13.12 0.00 -1.26 -1.02 105.19 120.89 1w4a n GLY 117 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.63 0.74 3.21 -0.02 0.00 -1.26 -4.74 105.19 102.49 1w4a n GLY 118 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.39 1.83 0.08 1.61 3.76 -0.19 -5.12 115.29 114.87 1w4a s HIS 119 Ca 0.00 -0.36 -0.22 0.00 -0.15 0.00 0.00 55.06 54.34 1w4a s HIS 119 Cb 0.00 -1.18 -0.07 0.00 1.11 0.00 0.00 32.58 32.45 1w4a s HIS 119 CO 0.00 -0.04 0.64 1.03 -0.85 0.00 0.00 174.74 175.52 1w4a s ARG 120 N -0.45 4.34 -0.01 1.40 0.52 -1.26 -1.01 118.95 122.48 1w4a s ARG 120 Ca 0.07 0.87 0.05 0.00 -0.52 0.00 0.00 55.73 56.20 1w4a s ARG 120 Cb -0.08 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 1w4a s ARG 120 CO -0.01 0.54 -0.16 0.71 0.02 0.00 0.00 175.30 176.41 1w4a s TYR 121 N -0.86 2.65 0.22 -0.53 2.02 0.79 -4.99 117.35 116.64 1w4a s TYR 121 Ca 0.32 -0.20 -0.13 0.00 -0.37 0.00 0.00 57.07 56.69 1w4a s TYR 121 Cb -0.20 -1.57 -0.08 0.00 -0.40 0.00 0.00 41.96 39.71 1w4a s TYR 121 CO 0.21 0.21 0.60 0.00 -1.57 0.00 0.00 175.55 175.00 1w4a s ALA 122 N -0.81 3.51 1.00 3.71 0.00 -1.26 -0.43 121.76 127.48 1w4a s ALA 122 Ca 0.13 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.81 1w4a s ALA 122 Cb -0.11 -2.57 0.21 0.00 0.00 0.00 0.00 23.12 20.65 1w4a s ALA 122 CO 0.02 0.44 1.28 -1.54 0.00 0.00 0.00 175.76 175.96 1w4a s SER 123 N -2.03 2.74 0.00 0.00 1.04 -0.35 -4.65 113.70 110.45 1w4a s SER 123 Ca 0.45 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.24 1w4a s SER 123 Cb -0.13 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.53 1w4a s SER 123 CO 0.20 -2.98 0.00 0.61 0.98 0.00 0.00 173.24 172.05 1w4a n GLY 124 N -3.20 -0.41 3.68 7.32 0.00 0.11 -4.72 105.19 107.97 1w4a n GLY 124 Ca 0.15 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 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 4.17 -0.19 1.61 -2.45 -1.26 -0.68 119.30 120.50 1w4a s MET 125 Ca 0.00 0.05 -0.01 0.00 -1.25 0.00 0.00 55.69 54.48 1w4a s MET 125 Cb 0.00 -3.51 0.01 0.00 1.25 0.00 0.00 34.83 32.58 1w4a s MET 125 CO 0.00 0.06 -0.13 0.08 1.05 0.00 0.00 175.02 176.08 1w4a s VAL 126 N 1.02 2.65 -0.21 10.11 1.01 0.64 0.58 120.40 136.20 1w4a s VAL 126 Ca 0.15 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 1w4a s VAL 126 Cb -0.14 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1w4a s VAL 126 CO 0.06 0.49 0.10 -0.63 0.00 0.00 0.00 175.10 175.12 1w4a s ILE 127 N 1.26 4.97 -0.30 2.22 1.01 -0.93 -0.67 121.20 128.76 1w4a s ILE 127 Ca 0.03 0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.63 1w4a s ILE 127 Cb -0.14 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 1w4a s ILE 127 CO -0.07 0.41 0.14 -0.69 0.00 0.00 0.00 174.94 174.73 1w4a s VAL 128 N 0.71 4.57 0.00 2.92 1.01 0.62 -0.71 120.40 129.52 1w4a s VAL 128 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1w4a s VAL 128 Cb -0.13 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1w4a s VAL 128 CO 0.02 0.10 0.00 1.07 0.00 0.00 0.00 175.10 176.28 1w4a n THR 129 N 4.97 0.00 0.00 3.92 5.66 -0.17 -1.08 114.28 127.59 1w4a n THR 129 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1w4a n THR 129 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 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 0.00 2.08 3.76 1.09 0.00 -1.26 -2.20 105.19 108.66 1w4a n GLY 130 Ca 0.00 -2.06 -0.26 0.00 0.00 0.00 0.00 46.02 43.70 1w4a n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w4a s LYS 131 N -1.60 2.21 0.00 1.61 1.02 -1.26 -4.46 119.74 117.26 1w4a s LYS 131 Ca 0.00 -1.96 0.00 0.00 0.02 0.00 0.00 55.97 54.03 1w4a s LYS 131 Cb 0.00 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 1w4a s LYS 131 CO 0.00 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 1w4a n GLY 132 N -1.31 -1.87 0.12 -3.33 0.00 -1.26 -4.71 105.19 92.83 1w4a n GLY 132 Ca -0.04 -2.15 0.13 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.74 1.61 2.35 -1.97 -3.46 115.58 111.37 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 0.02 0.96 -0.44 -1.65 0.00 0.00 177.43 176.31 1w4a s SER 134 N -4.85 6.63 -0.05 5.81 0.01 -1.26 -4.95 113.70 115.02 1w4a s SER 134 Ca 0.09 2.48 -0.28 0.00 1.31 0.00 0.00 55.95 59.55 1w4a s SER 134 Cb 0.11 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 1w4a s SER 134 CO 0.64 -0.86 0.90 -0.83 0.41 0.00 0.00 173.24 173.50 1w4a s GLY 135 N 2.11 2.65 0.04 3.44 0.00 -1.26 -4.98 107.32 109.31 1w4a s GLY 135 Ca 0.72 0.35 -0.17 0.00 0.00 0.00 0.00 44.72 45.62 1w4a s GLY 135 CO 0.32 1.59 1.15 0.50 0.00 0.00 0.00 173.10 176.66 1w4a h LYS 136 N 6.90 0.54 -0.37 2.90 1.57 -1.96 -3.10 116.57 123.06 1w4a h LYS 136 Ca -0.38 -0.55 0.02 0.00 -1.87 0.00 0.00 60.65 57.86 1w4a h LYS 136 Cb 1.19 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.63 1w4a h LYS 136 CO 0.78 1.18 0.21 1.15 -0.57 0.00 0.00 179.45 182.20 1w4a h THR 137 N 0.12 1.03 -0.32 -0.16 2.02 -1.98 -0.47 112.91 113.15 1w4a h THR 137 Ca -0.09 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 1w4a h THR 137 Cb 1.43 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1w4a h THR 137 CO 0.15 0.08 -0.01 -0.65 0.37 0.00 0.00 175.52 175.45 1w4a h PRO 138 N 0.42 0.49 -0.05 6.66 0.11 -1.90 -2.83 132.00 134.90 1w4a h PRO 138 Ca 0.15 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1w4a h PRO 138 Cb 0.02 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 1w4a h PRO 138 CO -0.08 0.52 -0.01 1.25 -0.21 0.00 0.00 178.00 179.48 1w4a h LEU 139 N 0.47 0.09 -1.41 2.35 7.12 -1.34 -1.78 115.31 120.81 1w4a h LEU 139 Ca 0.10 -0.34 0.01 0.00 0.13 0.00 0.00 57.88 57.78 1w4a h LEU 139 Cb 0.32 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.40 1w4a h LEU 139 CO 0.01 0.41 0.40 -0.37 -0.13 0.00 0.00 178.44 178.76 1w4a h VAL 140 N -0.23 1.14 -0.12 1.05 -1.51 -0.97 0.16 116.25 115.77 1w4a h VAL 140 Ca 0.01 -0.28 -0.17 0.00 -1.23 0.00 0.00 66.70 65.04 1w4a h VAL 140 Cb 0.37 0.27 -0.01 0.00 -2.13 0.00 0.00 31.29 29.79 1w4a h VAL 140 CO 0.00 0.15 -0.63 0.45 -1.23 0.00 0.00 177.57 176.32 1w4a h HIS 141 N 0.80 0.56 -0.29 5.19 3.86 -1.47 -0.56 115.15 123.23 1w4a h HIS 141 Ca 0.23 -0.22 -0.16 0.00 -1.16 0.00 0.00 60.37 59.06 1w4a h HIS 141 Cb -0.07 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1w4a h HIS 141 CO -0.00 0.94 -0.46 0.00 0.86 0.00 0.00 177.93 179.27 1w4a h ALA 142 N 1.01 0.63 -0.44 2.45 0.00 -0.38 -1.94 119.26 120.59 1w4a h ALA 142 Ca -0.01 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 1w4a h ALA 142 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1w4a h ALA 142 CO 0.11 0.67 -0.26 1.25 0.00 0.00 0.00 179.25 181.02 1w4a h LEU 143 N 0.62 0.98 -0.76 0.00 6.46 -0.60 -0.91 115.31 121.10 1w4a h LEU 143 Ca 0.04 -0.39 0.00 0.00 -0.12 0.00 0.00 57.88 57.41 1w4a h LEU 143 Cb 1.03 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.65 1w4a h LEU 143 CO 0.10 1.18 0.47 1.23 -0.62 0.00 0.00 178.44 180.80 1w4a h GLY 144 N 0.87 1.09 1.14 3.75 0.00 -1.01 0.01 103.07 108.92 1w4a h GLY 144 Ca 0.10 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 46.81 1w4a h GLY 144 CO 0.07 0.42 -0.52 -2.09 0.00 0.00 0.00 176.54 174.43 1w4a h GLU 145 N 1.03 0.89 -0.26 4.80 4.22 -1.19 -1.28 114.58 122.80 1w4a h GLU 145 Ca 0.27 -0.55 -0.03 0.00 0.08 0.00 0.00 59.36 59.13 1w4a h GLU 145 Cb -0.07 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1w4a h GLU 145 CO -0.05 1.19 0.04 0.00 -2.18 0.00 0.00 179.01 178.00 1w4a h ALA 146 N 0.69 0.34 0.00 2.92 0.00 -0.90 -2.73 119.26 119.59 1w4a h ALA 146 Ca 0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1w4a h ALA 146 Cb 1.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1w4a h ALA 146 CO 0.12 0.02 -0.26 -0.07 0.00 0.00 0.00 179.25 179.07 1w4a h LEU 147 N 0.23 0.00 -0.70 0.00 3.38 -1.05 -2.96 115.31 114.21 1w4a h LEU 147 Ca 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1w4a h LEU 147 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1w4a h LEU 147 CO 0.01 0.26 0.24 1.23 0.09 0.00 0.00 178.44 180.26 1w4a h GLY 148 N 2.87 1.15 0.00 0.83 0.00 -1.11 -3.46 103.07 103.35 1w4a h GLY 148 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1w4a h GLY 148 CO 0.03 0.62 0.00 0.61 0.00 0.00 0.00 176.54 177.80 1w4a n GLY 149 N -0.78 1.26 0.19 4.60 0.00 -1.04 -1.19 105.19 108.24 1w4a n GLY 149 Ca 0.05 0.26 0.10 0.00 0.00 0.00 0.00 46.02 46.43 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 -6.05 1.61 1.57 -1.90 -3.46 116.57 108.34 1w4a h LYS 150 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1w4a h LYS 150 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1w4a h LYS 150 CO 0.00 0.11 -0.45 -0.51 -0.57 0.00 0.00 179.45 178.03 1w4a s ASP 151 N -6.17 6.35 0.46 0.86 1.11 -0.33 -5.09 116.67 113.86 1w4a s ASP 151 Ca 0.05 0.23 -0.21 0.00 0.18 0.00 0.00 52.55 52.81 1w4a s ASP 151 Cb 0.06 -1.94 -0.10 0.00 1.07 0.00 0.00 42.92 42.02 1w4a s ASP 151 CO 0.70 0.06 1.00 -0.54 1.18 0.00 0.00 175.17 177.57 1w4a s LYS 152 N -3.10 4.00 0.17 8.23 1.02 -1.26 -4.46 119.74 124.35 1w4a s LYS 152 Ca 0.35 1.24 0.02 0.00 0.02 0.00 0.00 55.97 57.61 1w4a s LYS 152 Cb -0.11 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 1w4a s LYS 152 CO 0.28 -0.24 0.31 1.52 -0.92 0.00 0.00 175.35 176.31 1w4a s TYR 153 N -2.09 3.48 -0.08 3.18 1.13 -1.26 -4.77 117.35 116.95 1w4a s TYR 153 Ca 0.65 0.13 -0.07 0.00 -1.41 0.00 0.00 57.07 56.36 1w4a s TYR 153 Cb -0.13 -1.68 -0.04 0.00 -1.10 0.00 0.00 41.96 39.01 1w4a s TYR 153 CO 0.17 0.48 0.19 0.00 -2.51 0.00 0.00 175.55 173.88 1w4a s ALA 154 N -1.80 3.86 -0.17 9.51 0.00 -0.42 -4.98 121.76 127.76 1w4a s ALA 154 Ca 0.35 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1w4a s ALA 154 Cb -0.11 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 21.01 1w4a s ALA 154 CO 0.29 0.62 -0.19 0.99 0.00 0.00 0.00 175.76 177.47 1w4a s THR 155 N -1.11 2.21 -0.22 0.00 2.01 -1.26 0.14 115.64 117.41 1w4a s THR 155 Ca 0.19 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 61.23 1w4a s THR 155 Cb -0.13 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1w4a s THR 155 CO 0.08 0.53 0.04 -0.69 -0.69 0.00 0.00 174.62 173.89 1w4a s VAL 156 N 1.15 4.18 -0.12 3.82 1.01 0.12 -4.97 120.40 125.58 1w4a s VAL 156 Ca 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1w4a s VAL 156 Cb -0.14 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1w4a s VAL 156 CO -0.08 0.39 -0.01 -0.13 0.00 0.00 0.00 175.10 175.26 1w4a s ARG 157 N 1.28 3.30 -0.21 2.72 0.52 -1.26 -0.88 118.95 124.42 1w4a s ARG 157 Ca 0.04 -0.44 -0.20 0.00 -0.52 0.00 0.00 55.73 54.61 1w4a s ARG 157 Cb -0.15 -2.86 0.06 0.00 0.52 0.00 0.00 34.95 32.52 1w4a s ARG 157 CO 0.02 0.51 0.57 0.12 0.02 0.00 0.00 175.30 176.54 1w4a s PHE 158 N -0.35 -0.62 -1.45 -0.53 5.36 -1.03 -4.15 117.98 115.21 1w4a s PHE 158 Ca 0.07 1.50 -0.09 0.00 -0.96 0.00 0.00 56.93 57.45 1w4a s PHE 158 Cb -0.12 0.22 0.05 0.00 -0.34 0.00 0.00 43.02 42.83 1w4a s PHE 158 CO 0.02 -0.32 0.90 0.41 -1.46 0.00 0.00 175.22 174.77 1w4a n GLY 159 N 2.67 -0.43 3.16 13.12 0.00 -0.70 -4.36 105.19 118.65 1w4a n GLY 159 Ca -0.14 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -6.39 1.30 -0.74 1.61 0.41 -1.26 -4.75 118.70 108.87 1w4a s GLU 160 Ca 0.43 -0.66 -0.08 0.00 -0.41 0.00 0.00 54.97 54.25 1w4a s GLU 160 Cb -0.21 -1.29 -0.18 0.00 -1.78 0.00 0.00 34.13 30.68 1w4a s GLU 160 CO 0.82 0.35 3.20 -0.35 -0.49 0.00 0.00 175.26 178.78 1w4a n PRO 161 N 2.46 2.69 -4.43 0.39 -0.04 -1.26 -4.74 135.00 130.07 1w4a n PRO 161 Ca -0.15 -1.51 -0.22 0.00 -0.04 0.00 0.00 63.50 61.58 1w4a n PRO 161 Cb 0.54 -2.35 -0.10 0.00 -0.04 0.00 0.00 33.50 31.55 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 0.08 2.54 0.43 1.53 1.43 -1.26 -5.12 118.68 118.31 1w4a s LEU 162 Ca 0.65 -1.14 -0.26 0.00 -1.03 0.00 0.00 54.13 52.35 1w4a s LEU 162 Cb 0.24 -0.74 -0.09 0.00 0.03 0.00 0.00 46.19 45.63 1w4a s LEU 162 CO -0.03 -0.25 1.40 -0.94 0.23 0.00 0.00 176.35 176.76 1w4a s SER 163 N -3.45 6.05 -0.47 2.29 1.04 -1.26 -3.29 113.70 114.62 1w4a s SER 163 Ca 0.29 2.87 0.00 0.00 0.48 0.00 0.00 55.95 59.59 1w4a s SER 163 Cb 0.02 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1w4a s SER 163 CO 0.12 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1w4a n GLY 164 N 0.59 0.58 3.63 7.32 0.00 -1.26 -4.98 105.19 111.07 1w4a n GLY 164 Ca 0.04 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.73 3.30 0.44 1.61 2.02 -1.21 -5.04 117.35 116.74 1w4a s TYR 165 Ca 0.00 0.83 -0.24 0.00 -0.37 0.00 0.00 57.07 57.29 1w4a s TYR 165 Cb 0.00 -2.83 -0.08 0.00 -0.40 0.00 0.00 41.96 38.65 1w4a s TYR 165 CO 0.00 -0.30 1.18 1.21 -1.57 0.00 0.00 175.55 176.06 1w4a s ASN 166 N 1.43 6.26 0.00 2.29 2.47 -1.26 -4.81 114.94 121.32 1w4a s ASN 166 Ca 0.26 2.34 0.00 0.00 0.42 0.00 0.00 52.86 55.88 1w4a s ASN 166 Cb -0.16 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.04 1w4a s ASN 166 CO 0.09 -0.86 0.81 0.35 -3.72 0.00 0.00 177.10 173.77 1w4a n THR 167 N -0.31 0.62 -3.37 -5.21 -2.24 -1.26 -1.73 114.28 100.78 1w4a n THR 167 Ca 0.06 -0.62 -0.39 0.00 -2.27 0.00 0.00 64.05 60.83 1w4a n THR 167 Cb 0.47 0.70 -0.09 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.62 6.26 0.37 3.42 -1.08 -1.26 -4.85 116.67 118.92 1w4a s ASP 168 Ca 0.00 0.24 0.09 0.00 -0.52 0.00 0.00 52.55 52.36 1w4a s ASP 168 Cb 0.00 -2.22 0.83 0.00 -1.46 0.00 0.00 42.92 40.07 1w4a s ASP 168 CO 0.00 -0.22 1.92 0.15 0.52 0.00 0.00 175.17 177.54 1w4a h PHE 169 N 8.21 0.72 0.00 -5.34 3.57 -1.99 -2.01 116.94 120.10 1w4a h PHE 169 Ca -0.31 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.10 1w4a h PHE 169 Cb 1.16 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 1w4a h PHE 169 CO 0.75 0.33 -0.50 -0.91 -2.23 0.00 0.00 178.31 175.75 1w4a h ASN 170 N 0.67 0.00 -0.15 0.41 2.35 -1.96 -1.91 115.58 114.99 1w4a h ASN 170 Ca 0.36 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.89 1w4a h ASN 170 Cb 0.51 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.89 1w4a h ASN 170 CO -0.14 0.50 -0.80 0.58 -1.65 0.00 0.00 177.43 175.93 1w4a h VAL 171 N 0.00 1.28 -0.20 2.81 2.07 -1.87 -2.95 116.25 117.39 1w4a h VAL 171 Ca -0.00 -1.99 0.05 0.00 0.82 0.00 0.00 66.70 65.58 1w4a h VAL 171 Cb 0.94 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 32.67 1w4a h VAL 171 CO 0.06 0.63 -0.10 0.15 0.02 0.00 0.00 177.57 178.34 1w4a h PHE 172 N 0.53 -0.23 -0.01 1.57 3.57 -0.95 0.92 116.94 122.35 1w4a h PHE 172 Ca -0.06 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 1w4a h PHE 172 Cb 1.43 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 1w4a h PHE 172 CO 0.09 -0.15 -0.32 -0.39 -2.23 0.00 0.00 178.31 175.30 1w4a h VAL 173 N -0.08 1.23 -0.46 1.41 -1.51 -1.42 0.46 116.25 115.90 1w4a h VAL 173 Ca 0.11 -1.12 -0.08 0.00 -1.23 0.00 0.00 66.70 64.38 1w4a h VAL 173 Cb 0.24 1.59 -0.02 0.00 -2.13 0.00 0.00 31.29 30.98 1w4a h VAL 173 CO -0.25 0.32 -0.02 -0.78 -1.23 0.00 0.00 177.57 175.61 1w4a h ASP 174 N 0.01 0.82 -0.56 4.19 1.82 -1.17 -0.62 116.42 120.92 1w4a h ASP 174 Ca -0.00 -0.32 -0.03 0.00 -0.39 0.00 0.00 57.03 56.29 1w4a h ASP 174 Cb 0.58 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.34 1w4a h ASP 174 CO 0.04 0.94 0.23 0.44 -1.61 0.00 0.00 179.24 179.28 1w4a h ASP 175 N 0.67 0.76 -0.24 2.28 3.32 0.02 -2.05 116.42 121.19 1w4a h ASP 175 Ca 0.13 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1w4a h ASP 175 Cb 0.53 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1w4a h ASP 175 CO 0.03 0.72 0.07 0.40 -1.72 0.00 0.00 179.24 178.74 1w4a h ILE 176 N 0.76 1.20 -0.24 0.35 2.04 -0.68 -1.22 117.51 119.71 1w4a h ILE 176 Ca 0.19 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.45 1w4a h ILE 176 Cb 0.19 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1w4a h ILE 176 CO -0.02 0.20 0.02 0.00 0.00 0.00 0.00 178.15 178.36 1w4a h ALA 177 N 0.89 0.23 -0.81 1.87 0.00 -1.03 -0.42 119.26 119.99 1w4a h ALA 177 Ca 0.08 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1w4a h ALA 177 Cb 0.25 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1w4a h ALA 177 CO -0.00 -0.40 0.53 -0.09 0.00 0.00 0.00 179.25 179.29 1w4a h ARG 178 N 0.11 1.08 0.05 0.00 2.43 -1.28 -1.09 114.38 115.67 1w4a h ARG 178 Ca 0.11 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1w4a h ARG 178 Cb 0.13 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1w4a h ARG 178 CO -0.17 0.73 -0.02 0.00 -1.51 0.00 0.00 179.97 178.99 1w4a h ALA 179 N 1.47 -0.07 0.00 2.80 0.00 -0.25 -2.05 119.26 121.16 1w4a h ALA 179 Ca 0.30 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1w4a h ALA 179 Cb -0.11 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1w4a h ALA 179 CO -0.06 -0.43 -0.28 0.52 0.00 0.00 0.00 179.25 179.00 1w4a h MET 180 N -0.28 0.00 0.00 0.00 2.86 -0.88 0.12 114.93 116.74 1w4a h MET 180 Ca -0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1w4a h MET 180 Cb 0.25 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1w4a h MET 180 CO 0.01 0.28 -0.10 -0.07 1.06 0.00 0.00 176.91 178.09 1w4a h LEU 181 N 0.00 0.00 -0.33 1.22 3.38 -1.03 -3.37 115.31 115.19 1w4a h LEU 181 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1w4a h LEU 181 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1w4a h LEU 181 CO 0.04 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1w4a n GLN 182 N -3.18 3.49 -3.88 1.13 6.02 -0.74 -4.98 117.38 115.25 1w4a n GLN 182 Ca 0.02 -0.16 -0.11 0.00 -0.01 0.00 0.00 57.00 56.73 1w4a n GLN 182 Cb 0.44 -0.62 -0.11 0.00 1.02 0.00 0.00 30.24 30.97 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 -0.55 0.03 0.13 1.08 3.76 0.33 -5.05 115.29 115.03 1w4a s HIS 183 Ca 0.00 -0.06 0.01 0.00 -0.15 0.00 0.00 55.06 54.85 1w4a s HIS 183 Cb 0.00 -0.05 -0.11 0.00 1.11 0.00 0.00 32.58 33.54 1w4a s HIS 183 CO 0.00 -0.19 1.30 -0.09 -0.85 0.00 0.00 174.74 174.91 1w4a h ARG 184 N 4.92 0.21 -5.10 1.40 2.43 -1.90 -3.42 114.38 112.92 1w4a h ARG 184 Ca -0.29 -0.27 -0.67 0.00 -0.81 0.00 0.00 59.98 57.94 1w4a h ARG 184 Cb 1.20 0.09 -0.33 0.00 -0.42 0.00 0.00 29.97 30.50 1w4a h ARG 184 CO 0.42 1.04 -0.84 0.08 -1.51 0.00 0.00 179.97 179.16 1w4a s VAL 185 N -3.02 2.29 -0.04 0.20 1.01 -1.26 0.49 120.40 120.07 1w4a s VAL 185 Ca -0.03 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1w4a s VAL 185 Cb 0.09 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1w4a s VAL 185 CO 0.84 0.53 -0.11 -0.63 0.00 0.00 0.00 175.10 175.73 1w4a s ILE 186 N 1.16 0.99 -0.13 2.22 1.01 0.65 -1.30 121.20 125.80 1w4a s ILE 186 Ca 0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 1w4a s ILE 186 Cb -0.14 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 1w4a s ILE 186 CO -0.08 0.30 -0.09 -0.69 0.00 0.00 0.00 174.94 174.39 1w4a s VAL 187 N 0.28 3.47 -0.20 2.92 1.01 0.12 0.49 120.40 128.49 1w4a s VAL 187 Ca -0.06 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1w4a s VAL 187 Cb -0.11 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1w4a s VAL 187 CO 0.01 0.53 -0.13 -0.63 0.00 0.00 0.00 175.10 174.88 1w4a s ILE 188 N 0.11 2.62 -0.39 2.22 1.01 0.78 0.14 121.20 127.69 1w4a s ILE 188 Ca -0.04 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 1w4a s ILE 188 Cb -0.14 -2.17 0.04 0.00 0.01 0.00 0.00 42.46 40.20 1w4a s ILE 188 CO 0.04 0.46 0.23 -0.62 0.00 0.00 0.00 174.94 175.05 1w4a s ASP 189 N 1.36 5.75 0.00 3.58 -1.08 -0.06 -2.49 116.67 123.73 1w4a s ASP 189 Ca 0.05 -1.12 0.00 0.00 -0.52 0.00 0.00 52.55 50.96 1w4a s ASP 189 Cb -0.14 -2.03 0.00 0.00 -1.46 0.00 0.00 42.92 39.29 1w4a s ASP 189 CO -0.09 -0.44 0.00 -0.24 0.52 0.00 0.00 175.17 174.93 1w4a n SER 190 N 5.00 -1.13 -0.13 -0.34 2.88 -1.25 -2.46 113.62 116.18 1w4a n SER 190 Ca -0.11 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.55 1w4a n SER 190 Cb 0.45 -0.57 0.35 0.00 -0.75 0.00 0.00 64.21 63.69 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 0.75 -0.28 2.46 7.94 -0.66 -4.38 117.00 122.82 1w4a n LEU 191 Ca 0.00 -0.12 0.07 0.00 -1.11 0.00 0.00 56.01 54.85 1w4a n LEU 191 Cb 0.00 -0.19 0.18 0.00 0.53 0.00 0.00 43.42 43.95 1w4a n LEU 191 CO 0.00 0.15 0.81 0.11 -1.11 0.00 0.00 177.39 177.35 1w4a h LYS 192 N 0.64 0.07 0.00 1.96 1.57 -1.92 -0.45 116.57 118.45 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 0.49 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.79 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 -5.40 0.00 0.03 0.86 4.13 -1.26 -2.26 115.26 111.36 1w4a n ASN 193 Ca 0.16 0.08 0.03 0.00 1.68 0.00 0.00 54.58 56.52 1w4a n ASN 193 Cb 0.53 -0.33 -0.08 0.00 -1.54 0.00 0.00 39.78 38.37 1w4a n ASN 193 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1w4a n VAL 194 N -1.33 0.97 -3.07 2.41 0.24 -0.19 -5.08 118.33 112.28 1w4a n VAL 194 Ca 0.09 -0.66 -0.45 0.00 -2.04 0.00 0.00 64.34 61.29 1w4a n VAL 194 Cb 0.19 -0.56 -0.03 0.00 -1.47 0.00 0.00 33.84 31.97 1w4a n VAL 194 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1w4a s ILE 195 N -3.04 4.98 0.00 1.34 -1.09 -0.96 -4.83 121.20 117.59 1w4a s ILE 195 Ca -0.03 -1.67 0.00 0.00 -2.23 0.00 0.00 60.65 56.71 1w4a s ILE 195 Cb 0.09 -4.64 0.00 0.00 -1.58 0.00 0.00 42.46 36.34 1w4a s ILE 195 CO 0.82 -1.30 0.00 -0.38 -1.23 0.00 0.00 174.94 172.85 1w4a n ILE 207 N 5.09 0.00 -0.82 2.92 5.41 -1.26 -5.09 119.36 125.60 1w4a n ILE 207 Ca 0.14 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.60 1w4a n ILE 207 Cb 0.47 0.00 0.21 0.00 -0.71 0.00 0.00 39.64 39.61 1w4a n ILE 207 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1w4a s SER 208 N 0.00 1.99 0.15 4.38 1.04 -1.26 -4.83 113.70 115.16 1w4a s SER 208 Ca 0.00 1.51 -0.14 0.00 0.48 0.00 0.00 55.95 57.80 1w4a s SER 208 Cb 0.00 -2.20 0.02 0.00 0.10 0.00 0.00 66.02 63.94 1w4a s SER 208 CO 0.00 -3.57 1.67 -0.09 0.98 0.00 0.00 173.24 172.23 1w4a h ARG 209 N -2.19 0.74 -0.53 4.02 2.43 -1.83 -2.16 114.38 114.86 1w4a h ARG 209 Ca -0.56 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 58.38 1w4a h ARG 209 Cb 1.32 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 1w4a h ARG 209 CO 0.52 0.70 0.05 0.78 -1.51 0.00 0.00 179.97 180.51 1w4a h GLY 210 N 0.64 0.92 1.01 2.80 0.00 -1.33 -0.11 103.07 107.00 1w4a h GLY 210 Ca 0.15 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 1w4a h GLY 210 CO -0.00 0.55 0.12 0.00 0.00 0.00 0.00 176.54 177.21 1w4a h ALA 211 N 1.25 0.76 -0.26 3.60 0.00 -1.78 0.18 119.26 123.00 1w4a h ALA 211 Ca 0.16 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1w4a h ALA 211 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1w4a h ALA 211 CO 0.01 0.48 -0.28 0.35 0.00 0.00 0.00 179.25 179.81 1w4a h PHE 212 N 0.83 0.59 -0.33 0.00 3.57 -1.19 -2.17 116.94 118.24 1w4a h PHE 212 Ca 0.18 -0.13 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 1w4a h PHE 212 Cb 0.37 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1w4a h PHE 212 CO 0.03 0.75 -0.15 -0.44 -2.23 0.00 0.00 178.31 176.27 1w4a h ASP 213 N 0.46 0.71 -0.25 0.41 3.32 -0.42 -2.79 116.42 117.86 1w4a h ASP 213 Ca 0.06 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 1w4a h ASP 213 Cb 0.72 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1w4a h ASP 213 CO 0.06 0.95 0.15 0.25 -1.72 0.00 0.00 179.24 178.93 1w4a h LEU 214 N 0.46 0.31 -0.94 1.55 5.85 -0.42 -1.32 115.31 120.79 1w4a h LEU 214 Ca 0.08 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1w4a h LEU 214 Cb 0.68 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1w4a h LEU 214 CO 0.05 0.28 0.62 -0.07 -0.34 0.00 0.00 178.44 178.97 1w4a h LEU 215 N 0.31 1.03 -0.06 2.25 -0.00 -1.41 -0.71 115.31 116.73 1w4a h LEU 215 Ca 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1w4a h LEU 215 Cb 0.03 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.45 1w4a h LEU 215 CO -0.02 0.71 -0.29 -1.54 -0.00 0.00 0.00 178.44 177.30 1w4a n SER 216 N -4.48 0.38 -0.07 -0.43 3.41 -1.06 -4.41 113.62 106.97 1w4a n SER 216 Ca 0.12 -0.11 -0.09 0.00 -0.26 0.00 0.00 58.87 58.53 1w4a n SER 216 Cb 0.08 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 1w4a n SER 216 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1w4a n ASP 217 N -1.39 2.76 -0.33 4.04 8.00 -0.52 -4.75 116.55 124.38 1w4a n ASP 217 Ca 0.07 -0.06 0.11 0.00 0.71 0.00 0.00 54.79 55.62 1w4a n ASP 217 Cb 0.33 -0.03 0.32 0.00 -0.02 0.00 0.00 41.12 41.72 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 0.82 -0.13 0.53 2.10 -1.35 -1.75 117.51 117.73 1w4a h ILE 218 Ca -0.32 -0.28 0.01 0.00 1.08 0.00 0.00 64.86 65.36 1w4a h ILE 218 Cb 1.53 -0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 37.19 1w4a h ILE 218 CO -0.04 0.15 0.05 1.23 -1.08 0.00 0.00 178.15 178.46 1w4a h GLY 219 N 0.81 0.16 1.21 8.18 0.00 -1.82 -1.40 103.07 110.20 1w4a h GLY 219 Ca 0.51 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.71 1w4a h GLY 219 CO -0.27 0.02 -0.02 0.00 0.00 0.00 0.00 176.54 176.27 1w4a h ALA 220 N 1.08 0.94 -0.42 3.60 0.00 -1.72 -1.84 119.26 120.90 1w4a h ALA 220 Ca 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1w4a h ALA 220 Cb 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1w4a h ALA 220 CO -0.05 0.63 0.18 0.52 0.00 0.00 0.00 179.25 180.54 1w4a h MET 221 N 0.87 0.61 -0.25 0.00 2.07 -1.09 -1.15 114.93 115.99 1w4a h MET 221 Ca 0.16 -0.10 -0.06 0.00 -2.07 0.00 0.00 59.70 57.62 1w4a h MET 221 Cb 0.54 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 30.16 1w4a h MET 221 CO 0.03 0.55 -0.09 0.00 1.07 0.00 0.00 176.91 178.47 1w4a h ALA 222 N 1.03 0.35 -0.89 6.32 0.00 -1.19 -2.42 119.26 122.45 1w4a h ALA 222 Ca 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1w4a h ALA 222 Cb 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1w4a h ALA 222 CO -0.01 0.18 0.50 0.00 0.00 0.00 0.00 179.25 179.91 1w4a h ALA 223 N 0.74 1.14 -0.37 0.00 0.00 -1.29 0.53 119.26 120.01 1w4a h ALA 223 Ca 0.06 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1w4a h ALA 223 Cb 0.58 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1w4a h ALA 223 CO 0.03 0.63 -0.10 0.77 0.00 0.00 0.00 179.25 180.59 1w4a h SER 224 N 1.24 0.62 0.76 0.00 0.02 -1.15 -2.80 113.55 112.23 1w4a h SER 224 Ca 0.31 -0.17 -0.22 0.00 -0.84 0.00 0.00 61.79 60.88 1w4a h SER 224 Cb 0.01 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1w4a h SER 224 CO -0.05 0.75 -0.99 -0.09 -1.14 0.00 0.00 176.83 175.31 1w4a h ARG 225 N 0.59 0.13 0.00 3.45 9.65 -0.84 -3.45 114.38 123.91 1w4a h ARG 225 Ca 0.11 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1w4a h ARG 225 Cb 0.51 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 1w4a h ARG 225 CO 0.03 1.01 0.00 0.41 2.80 0.00 0.00 179.97 184.22 1w4a n GLY 226 N 1.17 0.77 3.91 2.80 0.00 0.18 -3.94 105.19 110.07 1w4a n GLY 226 Ca -0.03 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.01 2.73 -0.27 0.00 0.11 0.18 -0.72 120.40 120.42 1w4a s VAL 228 Ca 0.33 -0.80 -0.02 0.00 -2.93 0.00 0.00 61.98 58.56 1w4a s VAL 228 Cb -0.09 -2.09 0.03 0.00 -1.53 0.00 0.00 36.38 32.70 1w4a s VAL 228 CO 0.27 0.55 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.88 1w4a s VAL 229 N 0.02 3.07 -0.38 2.04 1.01 0.15 -0.26 120.40 126.05 1w4a s VAL 229 Ca -0.06 -1.09 -0.13 0.00 0.00 0.00 0.00 61.98 60.70 1w4a s VAL 229 Cb -0.15 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1w4a s VAL 229 CO 0.05 0.08 0.25 -0.63 0.00 0.00 0.00 175.10 174.85 1w4a s ILE 230 N 1.33 4.93 -0.09 2.22 1.01 0.18 -0.26 121.20 130.52 1w4a s ILE 230 Ca -0.01 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 59.98 1w4a s ILE 230 Cb -0.18 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.57 1w4a s ILE 230 CO -0.02 -0.24 -0.24 0.00 0.00 0.00 0.00 174.94 174.44 1w4a s ALA 231 N 1.62 2.17 0.15 9.38 0.00 0.16 -0.15 121.76 135.09 1w4a s ALA 231 Ca 0.04 -1.00 -0.25 0.00 0.00 0.00 0.00 51.96 50.75 1w4a s ALA 231 Cb -0.19 -0.77 -0.08 0.00 0.00 0.00 0.00 23.12 22.09 1w4a s ALA 231 CO 0.08 0.34 0.75 -1.54 0.00 0.00 0.00 175.76 175.39 1w4a s SER 232 N 0.16 7.35 -0.15 0.00 1.04 -1.04 -0.28 113.70 120.78 1w4a s SER 232 Ca -0.13 1.60 -0.04 0.00 0.48 0.00 0.00 55.95 57.85 1w4a s SER 232 Cb -0.16 -2.48 0.07 0.00 0.10 0.00 0.00 66.02 63.55 1w4a s SER 232 CO 0.07 0.21 0.24 -0.22 0.98 0.00 0.00 173.24 174.52 1w4a s LEU 233 N -1.09 -0.22 -0.24 2.42 2.96 -0.24 -1.65 118.68 120.62 1w4a s LEU 233 Ca 0.35 0.28 -0.16 0.00 -0.22 0.00 0.00 54.13 54.38 1w4a s LEU 233 Cb -0.23 0.55 -0.04 0.00 0.50 0.00 0.00 46.19 46.98 1w4a s LEU 233 CO 0.25 -0.27 0.42 0.20 -1.32 0.00 0.00 176.35 175.64 1w4a s ASN 234 N 2.38 6.38 -0.01 3.68 -0.87 -1.26 -4.27 114.94 120.97 1w4a s ASN 234 Ca 0.04 0.45 -0.24 0.00 -1.57 0.00 0.00 52.86 51.54 1w4a s ASN 234 Cb -0.13 -2.24 -0.19 0.00 -0.02 0.00 0.00 41.25 38.67 1w4a s ASN 234 CO -0.09 -0.17 1.22 -0.65 -2.57 0.00 0.00 177.10 174.84 1w4a h PRO 235 N 7.78 0.17 -1.09 -0.60 0.11 -1.98 -3.45 132.00 132.95 1w4a h PRO 235 Ca -0.33 -0.11 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1w4a h PRO 235 Cb 1.16 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1w4a h PRO 235 CO 0.69 0.71 0.43 0.25 -0.21 0.00 0.00 178.00 179.87 1w4a n THR 236 N -4.65 0.00 0.00 -1.15 -2.24 -1.26 -4.65 114.28 100.33 1w4a n THR 236 Ca -0.08 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1w4a n THR 236 Cb 0.36 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 1.38 0.00 -3.63 3.42 2.88 -1.26 -5.06 113.62 111.34 1w4a n SER 237 Ca 0.15 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.40 1w4a n SER 237 Cb 0.03 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.41 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 0.00 0.34 -3.38 -3.46 3.02 -1.26 -4.42 115.26 106.09 1w4a n ASN 238 Ca 0.00 -1.84 -0.24 0.00 -0.03 0.00 0.00 54.58 52.47 1w4a n ASN 238 Cb 0.00 -0.34 -0.10 0.00 -0.61 0.00 0.00 39.78 38.73 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 5.60 1.87 0.28 6.41 3.68 -1.26 -5.01 116.67 128.23 1w4a s ASP 239 Ca 0.44 -2.20 0.01 0.00 2.13 0.00 0.00 52.55 52.93 1w4a s ASP 239 Cb 0.10 -0.02 0.05 0.00 -1.45 0.00 0.00 42.92 41.59 1w4a s ASP 239 CO 0.22 -0.25 0.75 -0.90 0.13 0.00 0.00 175.17 175.12 1w4a n ASP 240 N 3.76 0.02 0.02 -0.34 5.75 -1.26 0.60 116.55 125.11 1w4a n ASP 240 Ca 0.16 0.23 -0.19 0.00 -0.01 0.00 0.00 54.79 54.99 1w4a n ASP 240 Cb 0.43 -0.04 -0.09 0.00 -1.03 0.00 0.00 41.12 40.39 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 0.73 0.08 0.11 3.11 -1.95 -3.00 116.57 115.66 1w4a h LYS 241 Ca 0.00 -0.71 -0.36 0.00 -2.81 0.00 0.00 60.65 56.76 1w4a h LYS 241 Cb 1.36 0.18 -0.03 0.00 -1.00 0.00 0.00 32.23 32.74 1w4a h LYS 241 CO 0.00 1.30 -2.09 1.51 -2.81 0.00 0.00 179.45 177.36 1w4a n ILE 242 N -3.88 1.69 0.12 2.00 3.06 0.20 -3.75 119.36 118.80 1w4a n ILE 242 Ca -0.10 -0.66 0.05 0.00 -2.50 0.00 0.00 62.75 59.55 1w4a n ILE 242 Cb 0.83 -1.57 0.49 0.00 0.54 0.00 0.00 39.64 39.93 1w4a n ILE 242 CO 0.00 0.00 0.00 1.62 -2.50 0.00 0.00 176.55 175.67 1w4a h VAL 243 N 0.05 1.09 0.00 9.51 3.04 -1.46 -0.26 116.25 128.22 1w4a h VAL 243 Ca -0.45 -0.28 -0.16 0.00 -1.01 0.00 0.00 66.70 64.80 1w4a h VAL 243 Cb 2.01 0.85 -0.02 0.00 -2.01 0.00 0.00 31.29 32.12 1w4a h VAL 243 CO 0.05 0.10 -0.76 -0.33 -1.01 0.00 0.00 177.57 175.62 1w4a h GLU 244 N 0.29 0.00 -0.02 4.17 4.39 -1.70 -2.52 114.58 119.19 1w4a h GLU 244 Ca 0.07 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 1w4a h GLU 244 Cb 0.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1w4a h GLU 244 CO -0.01 0.76 -0.52 1.25 -1.16 0.00 0.00 179.01 179.33 1w4a h LEU 245 N 0.00 0.05 -0.27 1.33 5.85 -1.20 -1.50 115.31 119.56 1w4a h LEU 245 Ca -0.01 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 1w4a h LEU 245 Cb 1.43 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 1w4a h LEU 245 CO 0.10 0.56 -0.29 0.58 -0.34 0.00 0.00 178.44 179.05 1w4a h VAL 246 N 0.03 1.31 -0.16 1.05 2.07 -0.95 -1.74 116.25 117.87 1w4a h VAL 246 Ca -0.00 -1.47 -0.10 0.00 0.82 0.00 0.00 66.70 65.95 1w4a h VAL 246 Cb 0.94 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1w4a h VAL 246 CO 0.07 0.47 -0.34 0.11 0.02 0.00 0.00 177.57 177.90 1w4a h LYS 247 N 0.40 0.33 -0.08 1.57 1.57 -1.27 -1.89 116.57 117.20 1w4a h LYS 247 Ca 0.04 -0.14 -0.18 0.00 -1.87 0.00 0.00 60.65 58.50 1w4a h LYS 247 Cb 0.86 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1w4a h LYS 247 CO 0.07 0.63 -0.73 1.49 -0.57 0.00 0.00 179.45 180.34 1w4a h GLU 248 N 0.28 0.42 -0.41 3.15 4.57 -1.20 0.45 114.58 121.85 1w4a h GLU 248 Ca 0.03 -0.34 -0.12 0.00 -1.18 0.00 0.00 59.36 57.75 1w4a h GLU 248 Cb 0.73 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 1w4a h GLU 248 CO 0.06 0.98 -0.23 0.00 -1.18 0.00 0.00 179.01 178.63 1w4a h ALA 249 N 0.93 0.57 -0.45 2.92 0.00 -1.10 0.31 119.26 122.45 1w4a h ALA 249 Ca -0.03 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1w4a h ALA 249 Cb 1.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1w4a h ALA 249 CO 0.13 0.56 -0.28 0.77 0.00 0.00 0.00 179.25 180.43 1w4a h SER 250 N 0.69 1.02 -0.01 0.00 0.02 -1.28 -1.30 113.55 112.69 1w4a h SER 250 Ca 0.09 -0.42 -0.05 0.00 -0.84 0.00 0.00 61.79 60.57 1w4a h SER 250 Cb 0.80 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1w4a h SER 250 CO 0.07 1.22 -0.18 -0.09 -1.14 0.00 0.00 176.83 176.71 1w4a h ARG 251 N 0.82 0.13 0.00 3.45 2.43 -0.81 -3.38 114.38 117.02 1w4a h ARG 251 Ca 0.09 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1w4a h ARG 251 Cb 0.86 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1w4a h ARG 251 CO 0.08 0.87 -1.38 0.43 -1.51 0.00 0.00 179.97 178.45 1w4a n SER 252 N -4.57 1.51 -0.44 -3.80 7.64 0.11 -4.61 113.62 109.46 1w4a n SER 252 Ca -0.09 -0.21 0.05 0.00 1.01 0.00 0.00 58.87 59.62 1w4a n SER 252 Cb 0.46 1.47 0.06 0.00 -1.01 0.00 0.00 64.21 65.20 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 -1.81 2.05 -4.65 6.43 5.03 -0.53 -4.98 115.26 116.80 1w4a n ASN 253 Ca -0.01 -1.54 -0.35 0.00 0.87 0.00 0.00 54.58 53.55 1w4a n ASN 253 Cb 0.32 -0.04 -0.10 0.00 -1.02 0.00 0.00 39.78 38.94 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 -0.87 5.37 0.08 6.41 0.01 -0.96 -4.40 113.70 119.33 1w4a s SER 254 Ca 0.14 0.10 -0.08 0.00 1.31 0.00 0.00 55.95 57.41 1w4a s SER 254 Cb 0.09 -1.74 -0.23 0.00 0.21 0.00 0.00 66.02 64.35 1w4a s SER 254 CO 0.13 0.28 1.17 0.74 0.41 0.00 0.00 173.24 175.96 1w4a h THR 255 N 4.56 1.39 -4.06 1.44 2.02 -0.21 -3.46 112.91 114.59 1w4a h THR 255 Ca -0.43 -2.67 -0.17 0.00 0.77 0.00 0.00 66.41 63.92 1w4a h THR 255 Cb 1.19 2.72 -0.15 0.00 -1.74 0.00 0.00 68.15 70.16 1w4a h THR 255 CO 0.61 0.79 -0.69 -0.44 0.37 0.00 0.00 175.52 176.17 1w4a s SER 256 N -7.25 0.77 -0.03 4.18 0.01 -0.75 -1.42 113.70 109.22 1w4a s SER 256 Ca -0.07 -1.01 0.02 0.00 1.31 0.00 0.00 55.95 56.21 1w4a s SER 256 Cb 0.07 0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.46 1w4a s SER 256 CO 0.90 -0.54 -0.08 -0.22 0.41 0.00 0.00 173.24 173.71 1w4a s LEU 257 N -2.98 1.73 -0.26 2.44 2.96 0.50 -2.19 118.68 120.88 1w4a s LEU 257 Ca 0.10 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1w4a s LEU 257 Cb 0.07 -0.51 0.07 0.00 0.50 0.00 0.00 46.19 46.31 1w4a s LEU 257 CO -0.07 0.04 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.26 1w4a s VAL 258 N 0.30 1.74 0.03 1.68 1.01 0.11 -0.35 120.40 124.92 1w4a s VAL 258 Ca -0.04 -1.45 0.08 0.00 0.00 0.00 0.00 61.98 60.56 1w4a s VAL 258 Cb -0.09 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1w4a s VAL 258 CO 0.00 -0.16 -0.23 -0.51 0.00 0.00 0.00 175.10 174.21 1w4a s ILE 259 N 1.28 1.81 0.64 2.22 2.07 -0.34 -1.00 121.20 127.89 1w4a s ILE 259 Ca -0.04 -1.21 -0.13 0.00 -1.41 0.00 0.00 60.65 57.86 1w4a s ILE 259 Cb -0.19 -1.56 -0.02 0.00 0.13 0.00 0.00 42.46 40.82 1w4a s ILE 259 CO -0.07 0.30 1.05 -0.94 -1.91 0.00 0.00 174.94 173.37 1w4a s SER 260 N -1.09 5.72 0.00 4.50 1.04 -0.93 -0.17 113.70 122.77 1w4a s SER 260 Ca 0.09 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.17 1w4a s SER 260 Cb -0.09 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1w4a s SER 260 CO 0.01 -1.21 0.00 0.35 0.98 0.00 0.00 173.24 173.38 1w4a n THR 261 N -2.59 0.00 0.22 2.02 -2.24 -1.06 -4.77 114.28 105.86 1w4a n THR 261 Ca 0.08 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.94 1w4a n THR 261 Cb 0.53 -0.27 0.51 0.00 -2.10 0.00 0.00 70.33 69.01 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 -3.48 3.42 3.45 -1.95 -3.43 116.42 114.43 1w4a h ASP 262 Ca 0.00 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.85 1w4a h ASP 262 Cb 0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 38.64 1w4a h ASP 262 CO 0.00 0.25 -0.38 -0.69 -1.57 0.00 0.00 179.24 176.85 1w4a s VAL 263 N -4.02 5.31 0.20 -1.35 1.01 -1.26 -5.04 120.40 115.24 1w4a s VAL 263 Ca -0.02 0.40 -0.32 0.00 0.00 0.00 0.00 61.98 62.04 1w4a s VAL 263 Cb 0.13 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.79 1w4a s VAL 263 CO 0.65 0.33 1.69 0.47 0.00 0.00 0.00 175.10 178.24 1w4a n ASP 264 N 4.19 3.81 0.00 3.32 10.43 -1.26 -1.82 116.55 135.21 1w4a n ASP 264 Ca -0.13 1.07 0.00 0.00 2.57 0.00 0.00 54.79 58.30 1w4a n ASP 264 Cb 0.52 -1.55 0.00 0.00 1.84 0.00 0.00 41.12 41.93 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 3.76 1.38 3.73 0.44 0.00 -1.26 -4.97 105.19 108.27 1w4a n GLY 265 Ca 0.16 0.00 -0.35 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 -0.47 3.40 0.09 1.61 2.12 -0.76 -1.97 118.70 122.73 1w4a s GLU 266 Ca 0.00 -0.31 0.05 0.00 0.36 0.00 0.00 54.97 55.07 1w4a s GLU 266 Cb 0.00 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 1w4a s GLU 266 CO 0.00 0.60 -0.13 -1.58 -0.54 0.00 0.00 175.26 173.61 1w4a s TRP 267 N -0.57 1.23 -0.14 5.30 0.52 -0.51 -2.56 118.94 122.20 1w4a s TRP 267 Ca 0.11 -0.54 -0.03 0.00 0.02 0.00 0.00 56.10 55.66 1w4a s TRP 267 Cb -0.12 -0.67 -0.03 0.00 -1.15 0.00 0.00 33.47 31.50 1w4a s TRP 267 CO 0.02 0.07 -0.04 -0.65 0.02 0.00 0.00 176.95 176.38 1w4a s GLN 268 N -2.32 3.51 -0.21 4.98 -0.21 0.76 -1.01 119.66 125.17 1w4a s GLN 268 Ca 0.03 -0.51 -0.06 0.00 0.02 0.00 0.00 55.36 54.85 1w4a s GLN 268 Cb -0.06 -2.87 -0.03 0.00 1.00 0.00 0.00 33.01 31.05 1w4a s GLN 268 CO 0.02 0.33 0.02 0.08 -2.12 0.00 0.00 175.29 173.63 1w4a s VAL 269 N 0.11 4.14 -0.19 1.09 1.01 0.08 -1.20 120.40 125.44 1w4a s VAL 269 Ca -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1w4a s VAL 269 Cb -0.14 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.38 1w4a s VAL 269 CO 0.03 0.41 -0.18 -0.76 0.00 0.00 0.00 175.10 174.59 1w4a s LEU 270 N 1.08 2.36 -0.10 3.92 1.02 0.53 -2.00 118.68 125.48 1w4a s LEU 270 Ca 0.03 -0.77 0.03 0.00 0.02 0.00 0.00 54.13 53.44 1w4a s LEU 270 Cb -0.14 -1.50 -0.00 0.00 0.02 0.00 0.00 46.19 44.57 1w4a s LEU 270 CO 0.02 -0.03 -0.22 -0.89 0.02 0.00 0.00 176.35 175.25 1w4a s THR 271 N 1.26 2.24 -0.32 5.49 2.01 0.94 -0.37 115.64 126.89 1w4a s THR 271 Ca 0.03 -0.96 -0.24 0.00 0.31 0.00 0.00 61.69 60.83 1w4a s THR 271 Cb -0.14 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.50 1w4a s THR 271 CO -0.12 0.55 0.82 -0.13 -0.69 0.00 0.00 174.62 175.06 1w4a s ARG 272 N 0.30 3.93 0.00 4.92 0.52 -0.51 -0.71 118.95 127.40 1w4a s ARG 272 Ca -0.16 0.59 0.27 0.00 -0.52 0.00 0.00 55.73 55.91 1w4a s ARG 272 Cb -0.17 -3.75 0.95 0.00 0.52 0.00 0.00 34.95 32.50 1w4a s ARG 272 CO 0.08 -0.74 1.71 0.25 0.02 0.00 0.00 175.30 176.61 1w4a n THR 273 N 5.64 0.00 0.00 0.02 -2.24 -1.23 -4.79 114.28 111.67 1w4a n THR 273 Ca 0.05 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1w4a n THR 273 Cb 0.48 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.43 2.93 3.67 3.38 0.00 -1.26 -4.16 105.19 111.18 1w4a n GLY 274 Ca 0.09 -1.12 -0.50 0.00 0.00 0.00 0.00 46.02 44.49 1w4a n GLY 274 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1w4a n GLU 275 N -1.22 1.85 -0.48 1.61 2.13 0.17 -1.01 120.64 123.69 1w4a n GLU 275 Ca 0.00 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.50 1w4a n GLU 275 Cb 0.00 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.26 1w4a n GLU 275 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1w4a n GLY 276 N 3.93 0.85 3.94 8.31 0.00 -1.26 -4.98 105.19 115.97 1w4a n GLY 276 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 0.56 0.99 1.43 -0.18 -5.06 118.68 119.51 1w4a s LEU 277 Ca 0.00 0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 53.30 1w4a s LEU 277 Cb 0.00 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 1w4a s LEU 277 CO 0.00 -1.30 1.03 -1.10 0.23 0.00 0.00 176.35 175.21 1w4a s GLN 278 N -5.01 3.57 0.06 1.70 -0.21 -1.26 -4.72 119.66 113.79 1w4a s GLN 278 Ca 0.57 1.11 -0.21 0.00 0.02 0.00 0.00 55.36 56.85 1w4a s GLN 278 Cb -0.11 -2.07 -0.06 0.00 1.00 0.00 0.00 33.01 31.77 1w4a s GLN 278 CO 0.43 -0.59 0.62 1.03 -2.12 0.00 0.00 175.29 174.65 1w4a s ARG 279 N -4.06 4.31 0.21 2.91 0.52 -1.26 -3.56 118.95 118.02 1w4a s ARG 279 Ca 0.62 0.82 0.06 0.00 -0.52 0.00 0.00 55.73 56.71 1w4a s ARG 279 Cb -0.14 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 1w4a s ARG 279 CO 0.34 0.51 0.18 -0.51 0.02 0.00 0.00 175.30 175.84 1w4a s LEU 280 N -0.73 3.84 -0.06 2.53 1.43 0.11 -0.87 118.68 124.93 1w4a s LEU 280 Ca 0.31 -0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.18 1w4a s LEU 280 Cb -0.20 -2.41 0.02 0.00 0.03 0.00 0.00 46.19 43.63 1w4a s LEU 280 CO 0.20 0.01 0.16 0.28 0.23 0.00 0.00 176.35 177.23 1w4a s THR 281 N -1.94 0.01 0.18 5.49 -1.32 0.14 -0.04 115.64 118.15 1w4a s THR 281 Ca 0.32 -0.05 -0.12 0.00 -1.21 0.00 0.00 61.69 60.63 1w4a s THR 281 Cb -0.09 -0.25 0.00 0.00 -1.51 0.00 0.00 72.50 70.65 1w4a s THR 281 CO 0.24 -0.03 0.39 -1.38 -2.21 0.00 0.00 174.62 171.64 1w4a s HIS 282 N -0.01 0.21 0.23 9.09 -3.43 -0.85 -4.54 115.29 115.99 1w4a s HIS 282 Ca -0.01 -0.57 0.09 0.00 -0.80 0.00 0.00 55.06 53.77 1w4a s HIS 282 Cb -0.02 0.13 -0.04 0.00 -1.43 0.00 0.00 32.58 31.22 1w4a s HIS 282 CO 0.00 -0.82 0.00 0.99 -2.00 0.00 0.00 174.74 172.92 1w4a s THR 283 N -3.94 3.58 -0.02 -5.38 2.01 -1.26 -0.75 115.64 109.88 1w4a s THR 283 Ca 0.15 -1.71 0.03 0.00 0.31 0.00 0.00 61.69 60.47 1w4a s THR 283 Cb 0.01 -2.87 -0.00 0.00 0.01 0.00 0.00 72.50 69.65 1w4a s THR 283 CO -0.00 -0.27 -0.09 -0.76 -0.69 0.00 0.00 174.62 172.80 1w4a s LEU 284 N -3.39 1.86 -0.02 4.42 1.02 -0.18 -4.96 118.68 117.43 1w4a s LEU 284 Ca 0.30 -0.19 0.02 0.00 0.02 0.00 0.00 54.13 54.28 1w4a s LEU 284 Cb -0.08 -0.54 -0.03 0.00 0.02 0.00 0.00 46.19 45.56 1w4a s LEU 284 CO 0.19 0.09 -0.05 -1.10 0.02 0.00 0.00 176.35 175.50 1w4a s GLN 285 N 0.05 2.67 0.14 1.70 -1.52 -1.26 -1.43 119.66 120.01 1w4a s GLN 285 Ca -0.01 -0.64 -0.00 0.00 -1.95 0.00 0.00 55.36 52.76 1w4a s GLN 285 Cb -0.07 -2.57 -0.04 0.00 -0.22 0.00 0.00 33.01 30.11 1w4a s GLN 285 CO 0.00 0.63 0.04 0.95 -0.25 0.00 0.00 175.29 176.66 1w4a s THR 286 N -0.95 0.23 0.02 -0.19 -4.23 -0.83 -0.30 115.64 109.39 1w4a s THR 286 Ca 0.16 -1.92 -0.19 0.00 -1.18 0.00 0.00 61.69 58.55 1w4a s THR 286 Cb -0.11 -2.05 0.04 0.00 1.34 0.00 0.00 72.50 71.72 1w4a s THR 286 CO 0.06 -0.48 0.43 -0.94 -0.54 0.00 0.00 174.62 173.15 1w4a s SER 287 N -3.07 -0.32 0.09 3.99 1.04 -0.36 -4.84 113.70 110.22 1w4a s SER 287 Ca 0.24 0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.71 1w4a s SER 287 Cb 0.07 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 1w4a s SER 287 CO 0.02 -0.63 0.33 -0.31 0.98 0.00 0.00 173.24 173.64 1w4a s TYR 288 N -2.14 3.52 0.00 5.02 2.02 -1.26 -0.11 117.35 124.40 1w4a s TYR 288 Ca -0.07 0.56 0.00 0.00 -0.37 0.00 0.00 57.07 57.19 1w4a s TYR 288 Cb -0.01 -2.00 0.00 0.00 -0.40 0.00 0.00 41.96 39.55 1w4a s TYR 288 CO 0.00 0.51 0.00 0.41 -1.57 0.00 0.00 175.55 174.90 1w4a n GLY 289 N 0.49 4.60 3.80 0.71 0.00 0.82 -4.95 105.19 110.66 1w4a n GLY 289 Ca -0.06 -1.76 -0.33 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 3.21 3.55 -1.39 1.61 2.02 -1.26 -3.77 118.70 122.67 1w4a s GLU 290 Ca 0.00 1.28 -0.09 0.00 0.02 0.00 0.00 54.97 56.18 1w4a s GLU 290 Cb 0.00 -2.06 0.06 0.00 0.10 0.00 0.00 34.13 32.23 1w4a s GLU 290 CO 0.00 -0.63 0.58 0.72 0.02 0.00 0.00 175.26 175.95 1w4a n HIS 291 N -1.52 -1.90 -1.90 1.61 8.25 -1.26 -1.48 115.22 117.02 1w4a n HIS 291 Ca 0.09 0.54 -0.18 0.00 -0.26 0.00 0.00 57.72 57.91 1w4a n HIS 291 Cb 0.53 -3.46 -0.04 0.00 1.12 0.00 0.00 29.99 28.13 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 -2.42 -5.17 -4.65 0.41 7.64 -1.25 -4.95 113.62 103.23 1w4a n SER 292 Ca -0.03 0.23 -0.43 0.00 1.01 0.00 0.00 58.87 59.64 1w4a n SER 292 Cb 0.56 -4.25 -0.02 0.00 -1.01 0.00 0.00 64.21 59.49 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 -2.77 4.63 0.12 0.44 1.01 -0.55 -4.85 120.40 118.43 1w4a s VAL 293 Ca 0.00 1.88 -0.16 0.00 0.00 0.00 0.00 61.98 63.70 1w4a s VAL 293 Cb 0.00 -4.34 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 1w4a s VAL 293 CO 0.00 -0.29 0.55 -0.22 0.00 0.00 0.00 175.10 175.14 1w4a s LEU 294 N 3.35 4.40 -0.03 3.92 2.96 -1.26 -0.13 118.68 131.88 1w4a s LEU 294 Ca 0.44 1.13 0.06 0.00 -0.22 0.00 0.00 54.13 55.54 1w4a s LEU 294 Cb -0.14 -3.13 -0.01 0.00 0.50 0.00 0.00 46.19 43.41 1w4a s LEU 294 CO 0.10 0.16 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.18 1w4a s THR 295 N -1.35 1.73 -0.27 3.68 2.01 0.85 -4.69 115.64 117.60 1w4a s THR 295 Ca 0.35 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 61.30 1w4a s THR 295 Cb -0.16 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1w4a s THR 295 CO 0.19 0.49 0.28 -0.63 -0.69 0.00 0.00 174.62 174.26 1w4a s ILE 296 N -0.35 5.24 0.53 1.82 1.01 -1.26 -1.22 121.20 126.97 1w4a s ILE 296 Ca 0.04 0.37 -0.21 0.00 0.00 0.00 0.00 60.65 60.85 1w4a s ILE 296 Cb -0.10 -3.61 -0.06 0.00 0.01 0.00 0.00 42.46 38.70 1w4a s ILE 296 CO 0.00 0.21 1.21 -1.00 0.00 0.00 0.00 174.94 175.36 1w4a s HIS 297 N 1.89 2.59 0.00 3.97 3.76 0.59 -4.99 115.29 123.10 1w4a s HIS 297 Ca 0.11 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.52 1w4a s HIS 297 Cb -0.16 -3.47 0.00 0.00 1.11 0.00 0.00 32.58 30.06 1w4a s HIS 297 CO 0.10 -1.99 0.00 2.41 -0.85 0.00 0.00 174.74 174.41 1w4a n THR 298 N -1.05 0.00 -1.51 1.30 -1.04 -1.26 -4.64 114.28 106.08 1w4a n THR 298 Ca 0.10 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.72 1w4a n THR 298 Cb 0.48 -0.34 -0.14 0.00 -1.82 0.00 0.00 70.33 68.51 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 -0.11 0.45 0.00 8.00 2.88 -1.26 -4.89 113.62 118.69 1w4a n SER 299 Ca 0.00 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1w4a n SER 299 Cb 0.00 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1w4a n SER 299 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1w4a n GLN 306 N 8.46 0.00 -2.57 -1.46 10.64 -1.26 -5.09 117.38 126.10 1w4a n GLN 306 Ca 0.63 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 55.38 1w4a n GLN 306 Cb 0.09 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.44 1w4a n GLN 306 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1w4a s ALA 307 N -0.17 3.38 -0.11 2.61 0.00 -1.26 0.24 121.76 126.45 1w4a s ALA 307 Ca 0.00 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1w4a s ALA 307 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1w4a s ALA 307 CO 0.00 -0.55 -0.19 -1.54 0.00 0.00 0.00 175.76 173.48 1w4a s SER 308 N 1.20 3.52 0.85 0.00 1.04 -0.05 -4.92 113.70 115.34 1w4a s SER 308 Ca 0.53 -0.44 -0.12 0.00 0.48 0.00 0.00 55.95 56.40 1w4a s SER 308 Cb -0.23 -1.44 0.10 0.00 0.10 0.00 0.00 66.02 64.55 1w4a s SER 308 CO 0.23 0.18 1.11 -0.83 0.98 0.00 0.00 173.24 174.91 1w4a s GLY 309 N 0.27 1.60 0.26 7.32 0.00 -1.26 -4.30 107.32 111.21 1w4a s GLY 309 Ca -0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 44.72 44.25 1w4a s GLY 309 CO 0.07 0.16 1.80 1.70 0.00 0.00 0.00 173.10 176.83 1w4a h LYS 310 N -1.27 0.79 -0.36 2.90 1.63 -1.99 -1.43 116.57 116.84 1w4a h LYS 310 Ca -0.48 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.17 1w4a h LYS 310 Cb 1.29 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 1w4a h LYS 310 CO 0.60 0.52 -0.14 0.00 -3.45 0.00 0.00 179.45 176.98 1w4a h ALA 311 N 1.51 0.50 -0.21 5.00 0.00 -2.00 -2.47 119.26 121.60 1w4a h ALA 311 Ca 0.45 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1w4a h ALA 311 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1w4a h ALA 311 CO -0.28 0.41 0.01 0.82 0.00 0.00 0.00 179.25 180.21 1w4a h ILE 312 N 0.52 1.12 0.12 0.00 2.04 -1.79 -1.76 117.51 117.77 1w4a h ILE 312 Ca 0.08 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1w4a h ILE 312 Cb 0.68 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1w4a h ILE 312 CO 0.05 0.16 -0.06 -0.61 0.00 0.00 0.00 178.15 177.69 1w4a h GLN 313 N 0.29 -0.16 0.00 2.37 -0.00 -0.99 -2.58 115.11 114.05 1w4a h GLN 313 Ca 0.07 0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.68 1w4a h GLN 313 Cb 0.18 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 1w4a h GLN 313 CO 0.00 0.13 -0.23 1.15 0.00 0.00 0.00 178.83 179.89 1w4a h THR 314 N -0.44 1.14 -0.14 2.39 2.02 -1.17 -1.86 112.91 114.84 1w4a h THR 314 Ca -0.02 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.41 1w4a h THR 314 Cb 0.36 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1w4a h THR 314 CO 0.03 0.22 -0.00 0.58 0.37 0.00 0.00 175.52 176.72 1w4a h VAL 315 N 0.00 0.90 -0.70 3.16 2.07 -1.17 -0.77 116.25 119.75 1w4a h VAL 315 Ca -0.00 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1w4a h VAL 315 Cb 0.40 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1w4a h VAL 315 CO 0.03 0.01 0.46 0.40 0.02 0.00 0.00 177.57 178.49 1w4a h ILE 316 N 0.04 1.16 0.00 4.57 5.03 -0.96 -1.22 117.51 126.13 1w4a h ILE 316 Ca 0.07 -0.31 -0.02 0.00 -0.12 0.00 0.00 64.86 64.47 1w4a h ILE 316 Cb 0.08 0.16 -0.00 0.00 -3.03 0.00 0.00 36.82 34.03 1w4a h ILE 316 CO -0.12 0.17 -0.10 0.11 -0.68 0.00 0.00 178.15 177.53 1w4a h LYS 317 N 0.92 0.00 -0.42 2.37 1.79 -0.43 -2.06 116.57 118.75 1w4a h LYS 317 Ca 0.26 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.70 1w4a h LYS 317 Cb -0.07 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.56 1w4a h LYS 317 CO -0.06 0.10 0.11 -0.91 -1.08 0.00 0.00 179.45 177.61 1w4a h ASN 318 N 0.00 0.56 -1.23 0.86 4.21 -0.12 -2.92 115.58 116.94 1w4a h ASN 318 Ca -0.00 -0.08 0.36 0.00 1.21 0.00 0.00 56.30 57.79 1w4a h ASN 318 Cb 0.19 -0.15 -0.05 0.00 -1.12 0.00 0.00 38.32 37.20 1w4a h ASN 318 CO 0.01 0.56 1.13 0.44 -1.29 0.00 0.00 177.43 178.28 1w4a h ASP 319 N 0.60 0.00 -1.75 5.81 5.19 -1.43 -2.76 116.42 122.08 1w4a h ASP 319 Ca 0.14 0.00 -0.74 0.00 -0.62 0.00 0.00 57.03 55.81 1w4a h ASP 319 Cb 0.21 0.00 -0.22 0.00 0.18 0.00 0.00 39.33 39.51 1w4a h ASP 319 CO -0.01 0.00 1.33 -0.62 -3.12 0.00 0.00 179.24 176.82 1w4a n GLU 320 N -3.61 4.30 0.00 3.56 1.02 -1.10 -4.36 120.64 120.45 1w4a n GLU 320 Ca 0.27 -3.81 0.00 0.00 -0.02 0.00 0.00 57.16 53.60 1w4a n GLU 320 Cb 1.51 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 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 0.45 -0.03 0.00 -4.62 4.77 -1.04 -4.96 117.00 111.58 1w4a n LEU 321 Ca 0.53 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1w4a n LEU 321 Cb 0.29 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1w4a n LEU 321 CO 0.54 -0.50 0.00 -0.62 -1.33 0.00 0.00 177.39 175.48