#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pww n LYS 30 N 0.00 3.90 -0.18 1.20 4.76 -1.26 -4.95 118.16 121.63 1pww n LYS 30 Ca 0.00 0.00 0.23 0.00 -2.87 0.00 0.00 58.31 55.67 1pww n LYS 30 Cb 0.00 0.00 0.36 0.00 -1.84 0.00 0.00 35.03 33.55 1pww n LYS 30 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1pww n THR 31 N 0.00 0.00 -0.08 -0.18 -1.04 -1.26 -1.17 114.28 110.55 1pww n THR 31 Ca 0.00 1.05 -0.09 0.00 -2.04 0.00 0.00 64.05 62.97 1pww n THR 31 Cb 0.00 -1.89 -0.03 0.00 -1.82 0.00 0.00 70.33 66.58 1pww n THR 31 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1pww h GLN 32 N 0.00 -0.32 0.00 -2.82 1.08 -2.02 -1.25 115.11 109.78 1pww h GLN 32 Ca 0.41 0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.57 1pww h GLN 32 Cb 2.47 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 29.96 1pww h GLN 32 CO -0.00 -0.22 -0.30 0.93 -0.95 0.00 0.00 178.83 178.29 1pww h GLU 33 N -0.34 0.00 0.05 1.46 5.08 -1.51 -2.90 114.58 116.42 1pww h GLU 33 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1pww h GLU 33 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1pww h GLU 33 CO -0.48 0.30 -0.04 1.05 -1.00 0.00 0.00 179.01 178.83 1pww h GLU 34 N 0.00 -0.09 -0.02 2.33 -0.00 -1.33 -0.51 114.58 114.96 1pww h GLU 34 Ca -0.00 0.01 -0.12 0.00 -0.00 0.00 0.00 59.36 59.24 1pww h GLU 34 Cb 0.59 0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 29.35 1pww h GLU 34 CO 0.04 -0.06 -0.56 1.25 -0.00 0.00 0.00 179.01 179.68 1pww h HIS 35 N -0.10 0.07 -0.26 2.06 2.76 -1.50 -0.19 115.15 118.00 1pww h HIS 35 Ca 0.00 -0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.21 1pww h HIS 35 Cb 0.09 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 28.98 1pww h HIS 35 CO -0.09 0.60 -0.17 1.25 -1.30 0.00 0.00 177.93 178.22 1pww h LEU 36 N 0.04 -0.55 -0.05 0.26 5.85 -1.22 1.09 115.31 120.73 1pww h LEU 36 Ca -0.00 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1pww h LEU 36 Cb 1.00 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 1pww h LEU 36 CO 0.08 -0.21 0.01 0.11 -0.34 0.00 0.00 178.44 178.09 1pww h LYS 37 N -0.15 0.07 0.78 1.25 1.57 -0.72 0.12 116.57 119.50 1pww h LYS 37 Ca 0.14 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1pww h LYS 37 Cb 0.37 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1pww h LYS 37 CO -0.35 0.27 -0.50 0.93 -0.57 0.00 0.00 179.45 179.23 1pww h GLU 38 N -0.13 -1.16 -0.68 3.15 5.08 -0.47 1.52 114.58 121.89 1pww h GLU 38 Ca 0.01 0.08 0.15 0.00 -1.00 0.00 0.00 59.36 58.60 1pww h GLU 38 Cb 0.23 0.26 -0.12 0.00 0.50 0.00 0.00 28.75 29.62 1pww h GLU 38 CO -0.00 -0.77 0.00 0.82 -1.00 0.00 0.00 179.01 178.06 1pww h ILE 39 N -1.21 0.42 0.00 3.13 2.04 0.12 0.56 117.51 122.57 1pww h ILE 39 Ca -0.10 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 1pww h ILE 39 Cb 0.97 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1pww h ILE 39 CO 0.09 0.02 -0.38 0.24 0.00 0.00 0.00 178.15 178.13 1pww h MET 40 N 0.11 0.00 0.00 2.37 2.86 -0.36 -2.24 114.93 117.68 1pww h MET 40 Ca 0.36 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.94 1pww h MET 40 Cb 0.61 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1pww h MET 40 CO -0.59 0.38 -0.28 -0.22 1.06 0.00 0.00 176.91 177.26 1pww h LYS 41 N 0.00 0.00 0.00 1.72 1.63 0.74 -1.81 116.57 118.86 1pww h LYS 41 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1pww h LYS 41 Cb 0.79 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1pww h LYS 41 CO 0.05 0.28 0.00 0.72 -3.45 0.00 0.00 179.45 177.05 1pww n HIS 42 N -4.00 0.00 -0.21 1.91 8.25 -0.36 -4.66 115.22 116.15 1pww n HIS 42 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1pww n HIS 42 Cb 0.34 -0.13 0.22 0.00 1.12 0.00 0.00 29.99 31.55 1pww n HIS 42 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 1pww h ILE 43 N 0.00 1.21 -3.01 1.59 3.07 -1.56 -3.42 117.51 115.39 1pww h ILE 43 Ca 0.00 -0.47 -0.57 0.00 1.55 0.00 0.00 64.86 65.36 1pww h ILE 43 Cb 0.00 0.20 -0.05 0.00 -0.27 0.00 0.00 36.82 36.71 1pww h ILE 43 CO 0.00 0.22 0.89 -0.69 -1.05 0.00 0.00 178.15 177.52 1pww s VAL 44 N -5.71 4.37 -0.27 0.16 1.01 -0.68 -0.66 120.40 118.62 1pww s VAL 44 Ca -0.11 1.64 0.03 0.00 0.00 0.00 0.00 61.98 63.53 1pww s VAL 44 Cb 0.17 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.50 1pww s VAL 44 CO 0.79 -0.22 -0.07 -0.54 0.00 0.00 0.00 175.10 175.06 1pww s LYS 45 N 3.53 1.97 -0.13 2.72 3.01 0.33 -4.73 119.74 126.45 1pww s LYS 45 Ca 0.52 -1.34 -0.16 0.00 -1.01 0.00 0.00 55.97 53.97 1pww s LYS 45 Cb -0.19 -2.85 -0.04 0.00 -1.01 0.00 0.00 37.83 33.74 1pww s LYS 45 CO 0.14 -0.64 0.40 0.42 0.51 0.00 0.00 175.35 176.19 1pww s ILE 46 N 1.15 5.23 -0.42 2.17 1.09 -1.26 -1.86 121.20 127.29 1pww s ILE 46 Ca -0.05 0.80 0.04 0.00 -1.10 0.00 0.00 60.65 60.34 1pww s ILE 46 Cb -0.20 -3.74 0.17 0.00 -1.06 0.00 0.00 42.46 37.63 1pww s ILE 46 CO -0.06 0.36 0.41 -1.61 -0.10 0.00 0.00 174.94 173.94 1pww s GLU 47 N 0.51 0.88 0.45 2.79 2.02 -0.94 -4.98 118.70 119.42 1pww s GLU 47 Ca 0.22 -1.70 0.03 0.00 0.02 0.00 0.00 54.97 53.55 1pww s GLU 47 Cb -0.14 -1.05 -0.04 0.00 0.10 0.00 0.00 34.13 33.00 1pww s GLU 47 CO 0.08 -1.34 0.04 0.14 0.02 0.00 0.00 175.26 174.19 1pww s VAL 48 N 0.46 1.23 -0.22 2.63 -7.23 -1.26 -4.01 120.40 112.01 1pww s VAL 48 Ca 0.29 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.30 1pww s VAL 48 Cb -0.01 -2.45 -0.08 0.00 0.56 0.00 0.00 36.38 34.39 1pww s VAL 48 CO -0.13 0.00 -0.35 2.29 -0.31 0.00 0.00 175.10 176.60 1pww n LYS 49 N -1.07 0.54 -1.46 4.82 -0.00 -1.26 -4.86 118.16 114.87 1pww n LYS 49 Ca -0.12 0.23 -0.36 0.00 -0.00 0.00 0.00 58.31 58.06 1pww n LYS 49 Cb 0.67 -1.44 0.07 0.00 -0.00 0.00 0.00 35.03 34.33 1pww n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pww n GLY 50 N 1.41 -0.42 3.29 2.58 0.00 -1.26 -4.61 105.19 106.18 1pww n GLY 50 Ca -0.31 -0.27 -0.58 0.00 0.00 0.00 0.00 46.02 44.86 1pww n GLY 50 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pww n GLU 51 N -1.53 0.21 -0.04 1.61 2.13 -1.26 -4.66 120.64 117.11 1pww n GLU 51 Ca 0.13 0.06 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1pww n GLU 51 Cb 0.49 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.51 1pww n GLU 51 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1pww n GLU 52 N 7.62 0.31 -0.09 5.31 0.28 -1.26 -3.24 120.64 129.57 1pww n GLU 52 Ca 0.52 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 57.35 1pww n GLU 52 Cb 0.01 -1.34 -0.11 0.00 1.43 0.00 0.00 31.44 31.43 1pww n GLU 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pww h ALA 53 N 2.27 0.16 0.03 -1.84 0.00 -1.98 -3.15 119.26 114.74 1pww h ALA 53 Ca 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 54.91 54.00 1pww h ALA 53 Cb 0.31 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1pww h ALA 53 CO 0.00 0.45 -0.01 0.28 0.00 0.00 0.00 179.25 179.97 1pww h VAL 54 N -1.00 1.42 -0.28 0.00 2.07 -1.93 -2.92 116.25 113.62 1pww h VAL 54 Ca -0.21 -1.70 0.03 0.00 0.82 0.00 0.00 66.70 65.64 1pww h VAL 54 Cb 1.11 2.51 -0.05 0.00 -1.52 0.00 0.00 31.29 33.35 1pww h VAL 54 CO -0.13 0.42 -0.31 0.11 0.02 0.00 0.00 177.57 177.68 1pww h LYS 55 N -0.82 -0.17 -0.07 1.57 6.56 -1.77 0.81 116.57 122.68 1pww h LYS 55 Ca -0.00 0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.62 1pww h LYS 55 Cb 0.71 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.41 1pww h LYS 55 CO 0.01 -0.12 0.30 -0.22 -2.06 0.00 0.00 179.45 177.36 1pww h LYS 56 N -0.18 0.00 0.05 3.15 3.11 -1.68 0.45 116.57 121.46 1pww h LYS 56 Ca 0.05 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.62 1pww h LYS 56 Cb 0.31 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.51 1pww h LYS 56 CO -0.36 0.00 -1.41 1.49 -2.81 0.00 0.00 179.45 176.37 1pww h GLU 57 N 0.00 0.10 0.17 1.90 4.57 0.51 -3.28 114.58 118.55 1pww h GLU 57 Ca 0.03 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1pww h GLU 57 Cb 0.63 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1pww h GLU 57 CO -0.00 0.91 -0.10 0.00 -1.18 0.00 0.00 179.01 178.64 1pww h ALA 58 N 0.80 -0.99 -1.15 2.92 0.00 0.50 -2.47 119.26 118.87 1pww h ALA 58 Ca -0.18 -0.05 0.33 0.00 0.00 0.00 0.00 54.91 55.01 1pww h ALA 58 Cb 1.93 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.82 1pww h ALA 58 CO 0.13 -0.98 0.75 0.00 0.00 0.00 0.00 179.25 179.16 1pww h ALA 59 N -1.77 2.50 0.80 0.00 0.00 -1.69 0.24 119.26 119.35 1pww h ALA 59 Ca -0.02 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1pww h ALA 59 Cb 0.20 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pww h ALA 59 CO 0.02 -0.97 -0.43 0.93 0.00 0.00 0.00 179.25 178.80 1pww h GLU 60 N 0.25 -1.09 -0.00 0.00 5.08 -1.56 0.09 114.58 117.35 1pww h GLU 60 Ca 0.67 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.10 1pww h GLU 60 Cb 1.95 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 31.45 1pww h GLU 60 CO -0.31 -0.72 0.00 0.87 -1.00 0.00 0.00 179.01 177.85 1pww h LYS 61 N -1.13 0.00 0.04 2.33 1.79 -0.65 -2.32 116.57 116.63 1pww h LYS 61 Ca -0.11 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.28 1pww h LYS 61 Cb 0.88 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1pww h LYS 61 CO 0.15 0.00 -0.36 1.25 -1.08 0.00 0.00 179.45 179.41 1pww h LEU 62 N 0.00 0.14 -0.26 2.94 5.85 -0.58 -3.36 115.31 120.05 1pww h LEU 62 Ca 0.00 -0.95 0.00 0.00 0.84 0.00 0.00 57.88 57.77 1pww h LEU 62 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1pww h LEU 62 CO -0.00 1.16 -0.02 0.18 -0.34 0.00 0.00 178.44 179.43 1pww n LEU 63 N -4.44 0.42 0.14 2.25 4.77 -0.02 -3.25 117.00 116.87 1pww n LEU 63 Ca -0.13 -0.09 0.13 0.00 -0.03 0.00 0.00 56.01 55.89 1pww n LEU 63 Cb 0.60 -0.05 0.40 0.00 -2.33 0.00 0.00 43.42 42.04 1pww n LEU 63 CO 0.37 0.07 0.88 1.05 -1.33 0.00 0.00 177.39 178.43 1pww h GLU 64 N 0.63 0.00 -0.14 3.23 4.11 -1.56 -2.94 114.58 117.90 1pww h GLU 64 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.24 1pww h GLU 64 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1pww h GLU 64 CO 0.00 0.00 -0.69 0.87 0.07 0.00 0.00 179.01 179.26 1pww h LYS 65 N 0.00 0.60 -6.93 1.06 6.56 -1.76 -3.45 116.57 112.65 1pww h LYS 65 Ca 0.00 -0.46 -0.52 0.00 -1.06 0.00 0.00 60.65 58.61 1pww h LYS 65 Cb 0.70 0.08 0.08 0.00 -0.57 0.00 0.00 32.23 32.52 1pww h LYS 65 CO 0.00 1.08 0.61 0.08 -2.06 0.00 0.00 179.45 179.16 1pww s VAL 66 N -3.79 2.67 0.26 0.50 1.01 -1.11 -4.94 120.40 115.00 1pww s VAL 66 Ca -0.08 0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 1pww s VAL 66 Cb 0.10 -3.36 -0.11 0.00 0.00 0.00 0.00 36.38 33.01 1pww s VAL 66 CO 0.87 0.10 1.59 -2.84 0.00 0.00 0.00 175.10 174.81 1pww s PRO 67 N -2.17 4.15 0.25 2.72 0.02 -1.26 -4.87 135.00 133.85 1pww s PRO 67 Ca 0.55 2.52 -0.06 0.00 0.02 0.00 0.00 61.00 64.04 1pww s PRO 67 Cb -0.38 -3.06 0.46 0.00 0.02 0.00 0.00 34.50 31.55 1pww s PRO 67 CO 0.49 -0.62 1.65 1.03 -0.33 0.00 0.00 177.00 179.22 1pww h SER 68 N 5.40 -0.24 0.20 2.53 0.87 -1.91 -1.82 113.55 118.56 1pww h SER 68 Ca -0.46 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1pww h SER 68 Cb 1.21 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 1pww h SER 68 CO 0.83 -0.15 0.00 0.47 -0.53 0.00 0.00 176.83 177.45 1pww n ASP 69 N -5.29 0.33 0.06 6.23 9.92 -1.26 -1.25 116.55 125.28 1pww n ASP 69 Ca 0.14 0.63 0.00 0.00 -0.53 0.00 0.00 54.79 55.03 1pww n ASP 69 Cb 0.49 -0.68 -0.06 0.00 -0.64 0.00 0.00 41.12 40.22 1pww n ASP 69 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1pww h VAL 70 N 0.00 0.62 -0.21 2.53 -1.51 -1.70 -2.93 116.25 113.05 1pww h VAL 70 Ca 0.00 -2.10 -0.06 0.00 -1.23 0.00 0.00 66.70 63.31 1pww h VAL 70 Cb 0.10 2.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 1pww h VAL 70 CO 0.00 0.35 -0.12 -0.07 -1.23 0.00 0.00 177.57 176.51 1pww h LEU 71 N 0.00 0.47 -1.22 4.19 4.07 -1.24 -2.45 115.31 119.13 1pww h LEU 71 Ca -0.12 -0.42 -0.07 0.00 0.08 0.00 0.00 57.88 57.35 1pww h LEU 71 Cb 1.55 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 43.15 1pww h LEU 71 CO 0.05 0.79 -0.31 -0.08 -1.08 0.00 0.00 178.44 177.81 1pww h GLU 72 N 0.15 0.00 0.00 1.13 4.81 -1.58 -2.62 114.58 116.47 1pww h GLU 72 Ca 0.05 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1pww h GLU 72 Cb 0.62 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1pww h GLU 72 CO 0.03 0.31 -0.37 0.52 -0.73 0.00 0.00 179.01 178.78 1pww h MET 73 N 0.00 0.00 -0.10 1.92 2.86 -1.32 0.20 114.93 118.49 1pww h MET 73 Ca -0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1pww h MET 73 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1pww h MET 73 CO 0.04 0.37 -0.19 -0.92 1.06 0.00 0.00 176.91 177.27 1pww h TYR 74 N 0.00 0.39 -0.08 -0.22 -0.00 -1.09 -2.43 116.97 113.55 1pww h TYR 74 Ca -0.00 -0.14 0.03 0.00 -0.00 0.00 0.00 58.73 58.62 1pww h TYR 74 Cb 0.98 -0.07 -0.06 0.00 -0.00 0.00 0.00 36.73 37.58 1pww h TYR 74 CO 0.00 0.80 -0.52 -0.22 -0.00 0.00 0.00 178.16 178.22 1pww h LYS 75 N -0.13 -0.58 -0.95 1.82 3.64 -1.18 0.15 116.57 119.34 1pww h LYS 75 Ca 0.00 0.04 0.21 0.00 -1.27 0.00 0.00 60.65 59.64 1pww h LYS 75 Cb 0.77 0.13 -0.18 0.00 -0.41 0.00 0.00 32.23 32.55 1pww h LYS 75 CO 0.04 -0.39 -0.15 0.00 -2.27 0.00 0.00 179.45 176.68 1pww n ALA 76 N -2.98 0.31 1.46 5.00 0.00 0.69 0.21 120.51 125.21 1pww n ALA 76 Ca -0.06 1.03 0.07 0.00 0.00 0.00 0.00 53.44 54.48 1pww n ALA 76 Cb 0.38 -0.66 0.28 0.00 0.00 0.00 0.00 19.45 19.45 1pww n ALA 76 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1pww n ILE 77 N -5.50 0.19 -1.84 0.00 -5.35 -0.46 -4.89 119.36 101.51 1pww n ILE 77 Ca 0.17 -0.23 -0.02 0.00 -0.27 0.00 0.00 62.75 62.40 1pww n ILE 77 Cb 0.56 0.11 0.01 0.00 -1.74 0.00 0.00 39.64 38.58 1pww n ILE 77 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pww n GLY 78 N 0.91 0.58 3.66 3.28 0.00 0.57 -4.72 105.19 109.49 1pww n GLY 78 Ca 0.11 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1pww n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pww s GLY 79 N -3.08 1.88 -0.01 -0.02 0.00 0.42 -3.97 107.32 102.54 1pww s GLY 79 Ca 0.03 -1.11 0.04 0.00 0.00 0.00 0.00 44.72 43.68 1pww s GLY 79 CO 0.08 -1.06 -0.13 1.25 0.00 0.00 0.00 173.10 173.24 1pww s LYS 80 N -2.12 1.04 -0.18 2.90 2.47 -1.21 -4.36 119.74 118.28 1pww s LYS 80 Ca 0.24 -0.46 -0.04 0.00 -1.56 0.00 0.00 55.97 54.15 1pww s LYS 80 Cb -0.12 -1.00 -0.03 0.00 -1.46 0.00 0.00 37.83 35.23 1pww s LYS 80 CO 0.16 0.27 -0.02 0.42 0.16 0.00 0.00 175.35 176.34 1pww s ILE 81 N -0.29 3.95 -0.22 5.43 1.01 0.16 0.37 121.20 131.60 1pww s ILE 81 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1pww s ILE 81 Cb -0.05 -2.76 0.03 0.00 0.01 0.00 0.00 42.46 39.69 1pww s ILE 81 CO -0.00 0.46 -0.12 -0.31 0.00 0.00 0.00 174.94 174.96 1pww s TYR 82 N 0.68 3.01 -0.76 3.97 1.51 0.24 -0.51 117.35 125.48 1pww s TYR 82 Ca -0.01 -1.76 -0.19 0.00 -1.01 0.00 0.00 57.07 54.10 1pww s TYR 82 Cb -0.14 -1.98 0.12 0.00 -0.11 0.00 0.00 41.96 39.85 1pww s TYR 82 CO 0.02 -0.79 0.93 0.42 -1.11 0.00 0.00 175.55 175.03 1pww s ILE 83 N 1.26 4.76 0.31 2.71 1.09 -0.78 -0.90 121.20 129.65 1pww s ILE 83 Ca -0.00 -1.24 0.08 0.00 -1.10 0.00 0.00 60.65 58.39 1pww s ILE 83 Cb -0.16 -4.64 -0.03 0.00 -1.06 0.00 0.00 42.46 36.56 1pww s ILE 83 CO -0.08 -1.34 0.21 0.68 -0.10 0.00 0.00 174.94 174.31 1pww s VAL 84 N 2.73 3.60 0.32 2.92 -7.23 -0.88 -2.22 120.40 119.63 1pww s VAL 84 Ca 0.23 -1.50 0.06 0.00 -1.81 0.00 0.00 61.98 58.95 1pww s VAL 84 Cb -0.13 -3.15 -0.01 0.00 0.56 0.00 0.00 36.38 33.64 1pww s VAL 84 CO -0.01 -0.23 0.45 -1.81 -0.31 0.00 0.00 175.10 173.19 1pww s ASP 85 N -3.90 6.06 0.90 4.85 1.11 -1.26 -3.82 116.67 120.62 1pww s ASP 85 Ca 0.38 -0.09 0.00 0.00 0.18 0.00 0.00 52.55 53.02 1pww s ASP 85 Cb -0.05 -1.42 0.00 0.00 1.07 0.00 0.00 42.92 42.51 1pww s ASP 85 CO 0.25 -0.35 0.00 0.61 1.18 0.00 0.00 175.17 176.86 1pww n GLY 86 N -1.60 -0.69 3.55 0.21 0.00 -1.26 -4.54 105.19 100.86 1pww n GLY 86 Ca -0.02 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 1pww n GLY 86 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pww n ASP 87 N -2.62 1.76 -0.24 1.61 4.64 -1.26 -4.81 116.55 115.63 1pww n ASP 87 Ca 0.00 -0.98 0.30 0.00 -1.38 0.00 0.00 54.79 52.73 1pww n ASP 87 Cb 0.00 -1.54 0.48 0.00 -1.04 0.00 0.00 41.12 39.02 1pww n ASP 87 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 1pww h ILE 88 N 7.68 0.02 0.00 5.18 3.07 -1.87 2.10 117.51 133.68 1pww h ILE 88 Ca -0.10 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.31 1pww h ILE 88 Cb 1.13 0.04 0.00 0.00 -0.27 0.00 0.00 36.82 37.72 1pww h ILE 88 CO 1.12 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 178.57 1pww n THR 89 N -3.32 0.83 -0.38 0.16 -2.24 -1.26 -2.83 114.28 105.24 1pww n THR 89 Ca 0.24 0.19 -0.15 0.00 -2.27 0.00 0.00 64.05 62.06 1pww n THR 89 Cb 1.52 -1.02 0.09 0.00 -2.10 0.00 0.00 70.33 68.83 1pww n THR 89 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1pww n LYS 90 N -1.92 1.75 -4.22 -0.78 4.81 0.71 -3.81 118.16 114.70 1pww n LYS 90 Ca 0.03 -1.73 -0.23 0.00 -0.87 0.00 0.00 58.31 55.51 1pww n LYS 90 Cb 0.23 -1.68 -0.07 0.00 0.02 0.00 0.00 35.03 33.53 1pww n LYS 90 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1pww s HIS 91 N -1.92 2.76 0.00 5.64 2.46 -1.13 -4.99 115.29 118.11 1pww s HIS 91 Ca 0.33 -0.24 0.00 0.00 0.47 0.00 0.00 55.06 55.62 1pww s HIS 91 Cb 0.28 -1.32 0.00 0.00 -0.13 0.00 0.00 32.58 31.40 1pww s HIS 91 CO 0.05 0.54 0.86 -0.89 -2.47 0.00 0.00 174.74 172.83 1pww n ILE 92 N -1.00 0.00 -0.39 0.89 -0.00 -1.26 -2.62 119.36 114.98 1pww n ILE 92 Ca -0.06 1.36 0.32 0.00 -0.00 0.00 0.00 62.75 64.37 1pww n ILE 92 Cb 0.59 -2.08 0.62 0.00 -0.00 0.00 0.00 39.64 38.78 1pww n ILE 92 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 1pww h SER 93 N 0.00 0.26 0.58 4.38 4.64 -1.97 -2.71 113.55 118.73 1pww h SER 93 Ca 0.00 0.08 -0.28 0.00 -0.47 0.00 0.00 61.79 61.12 1pww h SER 93 Cb 0.00 0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1pww h SER 93 CO 0.00 -0.04 -1.47 -0.07 -0.87 0.00 0.00 176.83 174.38 1pww h LEU 94 N 0.18 0.18 0.00 5.97 3.38 -1.85 -3.35 115.31 119.82 1pww h LEU 94 Ca 0.70 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1pww h LEU 94 Cb 2.19 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.88 1pww h LEU 94 CO -0.27 1.23 0.13 -0.62 0.09 0.00 0.00 178.44 178.99 1pww n GLU 95 N -3.31 0.00 -1.14 1.13 -0.58 -1.02 -1.34 120.64 114.38 1pww n GLU 95 Ca -0.13 0.12 -0.19 0.00 -0.42 0.00 0.00 57.16 56.54 1pww n GLU 95 Cb 1.02 -1.63 0.19 0.00 -0.57 0.00 0.00 31.44 30.45 1pww n GLU 95 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pww n ALA 96 N -0.98 5.29 -2.83 0.62 0.00 -1.26 -4.97 120.51 116.38 1pww n ALA 96 Ca 0.00 -2.90 -0.35 0.00 0.00 0.00 0.00 53.44 50.19 1pww n ALA 96 Cb 0.13 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 1pww n ALA 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pww s LEU 97 N -3.26 4.13 0.00 0.00 1.43 -0.45 -5.11 118.68 115.42 1pww s LEU 97 Ca 0.55 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 1pww s LEU 97 Cb 0.46 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1pww s LEU 97 CO 0.09 0.34 0.00 -1.54 0.23 0.00 0.00 176.35 175.47 1pww n SER 98 N 1.61 0.00 -0.02 2.29 3.41 -1.26 -4.93 113.62 114.72 1pww n SER 98 Ca -0.16 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.28 1pww n SER 98 Cb 0.54 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.35 1pww n SER 98 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1pww h GLU 99 N 0.00 0.12 -0.11 4.33 4.81 -2.02 -3.39 114.58 118.31 1pww h GLU 99 Ca 0.00 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1pww h GLU 99 Cb 0.00 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1pww h GLU 99 CO 0.00 1.08 0.05 -0.44 -0.73 0.00 0.00 179.01 178.97 1pww h ASP 100 N -0.74 0.15 0.00 1.04 5.19 -1.96 -2.90 116.42 117.20 1pww h ASP 100 Ca -0.05 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1pww h ASP 100 Cb 1.23 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1pww h ASP 100 CO 0.06 0.25 0.00 0.29 -3.12 0.00 0.00 179.24 176.72 1pww n LYS 101 N -4.92 0.00 0.01 3.56 5.02 -1.26 -0.68 118.16 119.89 1pww n LYS 101 Ca -0.05 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.34 1pww n LYS 101 Cb 0.10 -1.39 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 1pww n LYS 101 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pww n LYS 102 N -0.75 0.65 -3.66 1.97 5.02 -1.09 -4.84 118.16 115.45 1pww n LYS 102 Ca 0.00 -0.12 -0.39 0.00 -2.02 0.00 0.00 58.31 55.78 1pww n LYS 102 Cb 0.00 -1.59 -0.11 0.00 -0.02 0.00 0.00 35.03 33.31 1pww n LYS 102 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1pww s LYS 103 N -3.46 2.57 0.00 1.97 2.36 0.14 0.85 119.74 124.16 1pww s LYS 103 Ca -0.06 -1.39 0.00 0.00 -2.55 0.00 0.00 55.97 51.96 1pww s LYS 103 Cb 0.13 -3.67 0.00 0.00 -1.05 0.00 0.00 37.83 33.24 1pww s LYS 103 CO 0.88 -0.87 0.00 -0.89 1.55 0.00 0.00 175.35 176.02 1pww n ILE 104 N 4.86 0.00 -3.72 5.43 2.08 -1.18 -4.87 119.36 121.96 1pww n ILE 104 Ca -0.10 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.07 1pww n ILE 104 Cb 0.43 -0.98 -0.14 0.00 -0.75 0.00 0.00 39.64 38.20 1pww n ILE 104 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1pww s LYS 105 N 0.79 0.11 1.13 0.38 1.02 -1.26 -1.85 119.74 120.04 1pww s LYS 105 Ca 0.00 0.49 -0.17 0.00 0.02 0.00 0.00 55.97 56.31 1pww s LYS 105 Cb 0.00 -0.18 0.25 0.00 -0.52 0.00 0.00 37.83 37.39 1pww s LYS 105 CO 0.00 -0.21 1.13 0.16 -0.92 0.00 0.00 175.35 175.51 1pww s ASP 106 N 1.58 1.58 0.57 2.83 3.84 -1.11 -4.72 116.67 121.24 1pww s ASP 106 Ca -0.05 0.71 0.31 0.00 -0.00 0.00 0.00 52.55 53.52 1pww s ASP 106 Cb -0.11 -1.03 1.42 0.00 -1.38 0.00 0.00 42.92 41.82 1pww s ASP 106 CO -0.07 -3.72 1.79 -0.29 -0.00 0.00 0.00 175.17 172.88 1pww h ILE 107 N -2.31 0.34 -0.01 2.11 -0.00 -1.93 0.45 117.51 116.17 1pww h ILE 107 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.39 1pww h ILE 107 Cb 1.30 0.47 0.00 0.00 -0.00 0.00 0.00 36.82 38.58 1pww h ILE 107 CO 0.40 0.00 -0.28 -1.22 -0.00 0.00 0.00 178.15 177.06 1pww n TYR 108 N -3.83 0.00 -0.63 2.19 0.53 -1.26 -4.95 117.16 109.21 1pww n TYR 108 Ca 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.04 1pww n TYR 108 Cb 0.98 -0.12 0.00 0.00 -1.03 0.00 0.00 39.34 39.17 1pww n TYR 108 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1pww n GLY 109 N 1.35 0.70 3.59 2.72 0.00 0.16 -5.03 105.19 108.67 1pww n GLY 109 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1pww n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pww s LYS 110 N -0.37 3.81 0.70 1.61 1.02 -1.26 -4.78 119.74 120.48 1pww s LYS 110 Ca 0.00 0.17 -0.17 0.00 0.02 0.00 0.00 55.97 55.99 1pww s LYS 110 Cb 0.00 -3.76 -0.08 0.00 -0.52 0.00 0.00 37.83 33.47 1pww s LYS 110 CO 0.00 -0.61 0.18 -0.25 -0.92 0.00 0.00 175.35 173.75 1pww n ASP 111 N 5.88 -2.49 -3.02 2.83 10.43 -1.26 -2.76 116.55 126.15 1pww n ASP 111 Ca -0.02 0.55 -0.13 0.00 2.57 0.00 0.00 54.79 57.77 1pww n ASP 111 Cb 0.49 -1.06 -0.01 0.00 1.84 0.00 0.00 41.12 42.38 1pww n ASP 111 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1pww s ALA 112 N -1.94 0.17 -0.23 2.24 0.00 -0.77 -4.86 121.76 116.36 1pww s ALA 112 Ca 0.60 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1pww s ALA 112 Cb -0.37 0.94 0.06 0.00 0.00 0.00 0.00 23.12 23.75 1pww s ALA 112 CO 0.63 -0.88 -0.08 -0.51 0.00 0.00 0.00 175.76 174.93 1pww s LEU 113 N -3.18 2.68 0.19 0.00 1.43 -1.26 -3.13 118.68 115.41 1pww s LEU 113 Ca 0.24 -1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 52.09 1pww s LEU 113 Cb -0.03 -1.28 0.25 0.00 0.03 0.00 0.00 46.19 45.17 1pww s LEU 113 CO 0.17 -0.20 1.20 0.18 0.23 0.00 0.00 176.35 177.94 1pww n LEU 114 N 4.62 -0.41 -0.12 1.79 4.77 0.25 0.16 117.00 128.05 1pww n LEU 114 Ca -0.13 1.34 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 1pww n LEU 114 Cb 0.44 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1pww n LEU 114 CO 0.19 -1.24 0.16 0.00 -1.33 0.00 0.00 177.39 175.17 1pww n HIS 115 N -5.19 0.00 0.00 -1.77 1.44 -1.26 -1.56 115.22 106.88 1pww n HIS 115 Ca 0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.81 1pww n HIS 115 Cb 0.34 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.44 1pww n HIS 115 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1pww n GLU 116 N -0.30 2.37 -0.93 -1.40 1.02 0.42 -4.86 120.64 116.96 1pww n GLU 116 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 1pww n GLU 116 Cb 0.02 -0.94 0.20 0.00 -0.02 0.00 0.00 31.44 30.70 1pww n GLU 116 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1pww n HIS 117 N -2.01 -3.76 -0.02 -0.32 -0.00 -0.60 -5.02 115.22 103.49 1pww n HIS 117 Ca 0.00 -0.83 0.00 0.00 0.46 0.00 0.00 57.72 57.35 1pww n HIS 117 Cb 0.44 -0.92 0.00 0.00 -0.12 0.00 0.00 29.99 29.39 1pww n HIS 117 CO 0.00 0.00 0.00 2.48 0.46 0.00 0.00 176.34 179.28 1pww n TYR 118 N -4.33 0.00 -3.85 1.57 4.11 -1.26 -4.81 117.16 108.59 1pww n TYR 118 Ca 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.93 1pww n TYR 118 Cb 0.48 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.74 1pww n TYR 118 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1pww s VAL 119 N -0.05 0.13 -0.29 -3.48 1.01 -1.26 -0.23 120.40 116.23 1pww s VAL 119 Ca 0.00 -1.06 -0.25 0.00 0.00 0.00 0.00 61.98 60.67 1pww s VAL 119 Cb 0.00 -1.16 0.15 0.00 0.00 0.00 0.00 36.38 35.38 1pww s VAL 119 CO 0.00 -0.59 1.21 -0.47 0.00 0.00 0.00 175.10 175.25 1pww s TYR 120 N -3.30 -0.29 -0.26 5.22 5.04 -0.80 -5.02 117.35 117.95 1pww s TYR 120 Ca 0.01 0.70 0.03 0.00 -2.44 0.00 0.00 57.07 55.37 1pww s TYR 120 Cb 0.02 0.41 0.06 0.00 0.35 0.00 0.00 41.96 42.80 1pww s TYR 120 CO -0.08 -0.14 -0.11 0.00 -1.34 0.00 0.00 175.55 173.88 1pww s ALA 121 N 0.19 2.55 0.27 3.97 0.00 -1.26 -0.77 121.76 126.71 1pww s ALA 121 Ca 0.04 -1.75 -0.29 0.00 0.00 0.00 0.00 51.96 49.97 1pww s ALA 121 Cb -0.05 -1.58 -0.09 0.00 0.00 0.00 0.00 23.12 21.40 1pww s ALA 121 CO -0.11 -1.18 0.97 0.21 0.00 0.00 0.00 175.76 175.66 1pww s LYS 122 N 1.11 4.75 0.67 0.00 2.20 -0.16 -4.96 119.74 123.35 1pww s LYS 122 Ca -0.09 1.52 0.03 0.00 -0.36 0.00 0.00 55.97 57.08 1pww s LYS 122 Cb -0.20 -3.16 0.13 0.00 -1.51 0.00 0.00 37.83 33.09 1pww s LYS 122 CO -0.05 0.41 0.92 -1.91 -0.36 0.00 0.00 175.35 174.35 1pww n GLU 123 N 1.23 0.16 0.00 4.03 2.13 -1.26 -3.05 120.64 123.88 1pww n GLU 123 Ca -0.01 -2.85 0.00 0.00 0.66 0.00 0.00 57.16 54.96 1pww n GLU 123 Cb 0.47 -0.50 0.00 0.00 0.27 0.00 0.00 31.44 31.68 1pww n GLU 123 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pww n GLY 124 N -2.39 2.98 0.00 8.31 0.00 -1.26 -4.66 105.19 108.18 1pww n GLY 124 Ca 0.16 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1pww n GLY 124 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1pww n TYR 125 N -0.17 0.00 -3.65 1.61 0.18 -1.26 -2.42 117.16 111.45 1pww n TYR 125 Ca 0.00 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.49 1pww n TYR 125 Cb 0.00 -0.28 -0.12 0.00 -0.38 0.00 0.00 39.34 38.56 1pww n TYR 125 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1pww s GLU 126 N -2.51 1.25 0.56 -3.48 2.02 -1.26 -4.96 118.70 110.31 1pww s GLU 126 Ca 0.00 -2.06 -0.18 0.00 0.02 0.00 0.00 54.97 52.75 1pww s GLU 126 Cb 0.00 -2.17 -0.05 0.00 0.10 0.00 0.00 34.13 32.01 1pww s GLU 126 CO 0.00 -1.21 1.07 -1.25 0.02 0.00 0.00 175.26 173.89 1pww s PRO 127 N 0.22 3.40 -0.04 0.39 0.04 -1.02 -4.85 135.00 133.15 1pww s PRO 127 Ca 0.21 1.35 -0.22 0.00 0.04 0.00 0.00 61.00 62.38 1pww s PRO 127 Cb -0.18 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.37 1pww s PRO 127 CO -0.04 -0.76 0.48 0.08 0.04 0.00 0.00 177.00 176.79 1pww s VAL 128 N -2.17 0.03 -0.17 -0.36 1.01 -1.17 -3.28 120.40 114.29 1pww s VAL 128 Ca 0.67 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1pww s VAL 128 Cb -0.18 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.45 1pww s VAL 128 CO 0.30 -0.14 -0.10 -0.22 0.00 0.00 0.00 175.10 174.94 1pww s LEU 129 N -1.21 1.84 -0.27 3.92 2.96 0.16 -0.99 118.68 125.09 1pww s LEU 129 Ca -0.12 -0.65 -0.08 0.00 -0.22 0.00 0.00 54.13 53.06 1pww s LEU 129 Cb -0.03 -1.12 -0.02 0.00 0.50 0.00 0.00 46.19 45.52 1pww s LEU 129 CO 0.07 -0.12 0.11 -0.69 -1.32 0.00 0.00 176.35 174.39 1pww s VAL 130 N 1.50 4.49 -0.12 1.68 1.01 0.05 0.83 120.40 129.85 1pww s VAL 130 Ca 0.02 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1pww s VAL 130 Cb -0.14 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1pww s VAL 130 CO -0.09 0.25 -0.22 -0.63 0.00 0.00 0.00 175.10 174.41 1pww s ILE 131 N 1.63 2.18 0.00 2.22 1.01 -0.08 -1.90 121.20 126.25 1pww s ILE 131 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1pww s ILE 131 Cb -0.16 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.46 1pww s ILE 131 CO 0.05 0.55 0.00 1.67 0.00 0.00 0.00 174.94 177.21 1pww n GLN 132 N 3.71 2.10 -3.56 2.79 7.27 0.68 -2.07 117.38 128.29 1pww n GLN 132 Ca -0.19 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.72 1pww n GLN 132 Cb 0.52 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.11 1pww n GLN 132 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1pww s SER 133 N -1.82 -0.69 0.00 1.69 1.04 -1.25 -4.13 113.70 108.55 1pww s SER 133 Ca 0.00 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1pww s SER 133 Cb 0.00 0.89 0.00 0.00 0.10 0.00 0.00 66.02 67.01 1pww s SER 133 CO 0.00 -0.46 0.00 -0.24 0.98 0.00 0.00 173.24 173.52 1pww n SER 134 N 1.59 0.00 -0.55 7.02 2.88 -1.26 -5.02 113.62 118.28 1pww n SER 134 Ca -0.17 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.50 1pww n SER 134 Cb 0.56 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 64.33 1pww n SER 134 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1pww n GLU 135 N -0.22 1.59 -0.50 -1.46 4.71 -1.26 -4.27 120.64 119.22 1pww n GLU 135 Ca 0.00 -1.11 0.02 0.00 -0.01 0.00 0.00 57.16 56.05 1pww n GLU 135 Cb 0.00 -1.48 0.20 0.00 -1.01 0.00 0.00 31.44 29.16 1pww n GLU 135 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1pww n ASP 136 N 0.27 3.52 0.03 1.62 10.43 -1.26 -3.58 116.55 127.57 1pww n ASP 136 Ca 0.15 -2.54 0.11 0.00 2.57 0.00 0.00 54.79 55.08 1pww n ASP 136 Cb 0.43 -0.61 0.45 0.00 1.84 0.00 0.00 41.12 43.23 1pww n ASP 136 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1pww n TYR 137 N 0.25 0.25 0.05 1.24 0.53 -1.26 0.12 117.16 118.34 1pww n TYR 137 Ca 0.17 0.09 -0.10 0.00 -1.02 0.00 0.00 57.90 57.03 1pww n TYR 137 Cb 0.80 -0.64 -0.07 0.00 -1.03 0.00 0.00 39.34 38.40 1pww n TYR 137 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 1pww h VAL 138 N 0.00 0.83 0.11 -0.72 2.07 -1.92 -3.40 116.25 113.22 1pww h VAL 138 Ca 0.00 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1pww h VAL 138 Cb 0.40 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1pww h VAL 138 CO 0.00 0.22 -0.05 -0.33 0.02 0.00 0.00 177.57 177.43 1pww h GLU 139 N -0.88 -0.15 -4.10 1.57 4.39 -1.60 -3.39 114.58 110.43 1pww h GLU 139 Ca -0.02 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 1pww h GLU 139 Cb 0.52 0.03 0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1pww h GLU 139 CO 0.04 -0.10 1.17 0.09 -1.16 0.00 0.00 179.01 179.05 1pww n ASN 140 N -3.52 0.49 0.27 1.42 4.13 0.33 -4.62 115.26 113.77 1pww n ASN 140 Ca -0.02 -2.10 0.09 0.00 1.68 0.00 0.00 54.58 54.23 1pww n ASN 140 Cb 0.06 -0.55 0.46 0.00 -1.54 0.00 0.00 39.78 38.21 1pww n ASN 140 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1pww h THR 141 N 4.10 0.00 0.04 3.41 1.35 -1.77 0.62 112.91 120.65 1pww h THR 141 Ca 0.07 0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 65.68 1pww h THR 141 Cb 0.11 0.37 0.01 0.00 -1.73 0.00 0.00 68.15 66.92 1pww h THR 141 CO 1.18 0.00 -1.05 -0.33 -0.25 0.00 0.00 175.52 175.07 1pww h GLU 142 N 0.00 0.46 0.00 4.72 4.39 -1.94 -2.68 114.58 119.54 1pww h GLU 142 Ca 0.00 -0.55 -0.16 0.00 0.34 0.00 0.00 59.36 58.99 1pww h GLU 142 Cb 0.99 0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1pww h GLU 142 CO 0.00 1.20 -0.62 0.87 -1.16 0.00 0.00 179.01 179.29 1pww h LYS 143 N 0.24 0.41 -0.63 2.33 1.57 -0.16 -2.57 116.57 117.76 1pww h LYS 143 Ca -0.11 -0.45 0.12 0.00 -1.87 0.00 0.00 60.65 58.33 1pww h LYS 143 Cb 1.71 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 34.11 1pww h LYS 143 CO 0.19 1.12 0.43 0.00 -0.57 0.00 0.00 179.45 180.61 1pww h ALA 144 N 0.31 2.09 0.42 3.86 0.00 -1.49 0.36 119.26 124.82 1pww h ALA 144 Ca -0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1pww h ALA 144 Cb 1.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1pww h ALA 144 CO 0.12 -0.24 -0.20 1.25 0.00 0.00 0.00 179.25 180.17 1pww h LEU 145 N 0.37 -0.48 -0.42 0.00 7.12 -1.41 -1.84 115.31 118.66 1pww h LEU 145 Ca 0.30 -0.09 0.09 0.00 0.13 0.00 0.00 57.88 58.31 1pww h LEU 145 Cb 0.67 0.12 -0.09 0.00 -0.53 0.00 0.00 40.66 40.84 1pww h LEU 145 CO -0.08 -0.19 -0.19 0.78 -0.13 0.00 0.00 178.44 178.64 1pww h ASN 146 N -0.78 -0.65 -0.04 1.25 2.35 -0.58 1.05 115.58 118.17 1pww h ASN 146 Ca -0.06 0.15 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1pww h ASN 146 Cb 0.54 0.36 -0.06 0.00 0.05 0.00 0.00 38.32 39.21 1pww h ASN 146 CO 0.10 -0.22 -0.49 0.58 -1.65 0.00 0.00 177.43 175.74 1pww h VAL 147 N -0.11 0.06 -0.80 2.81 2.07 -1.07 0.37 116.25 119.58 1pww h VAL 147 Ca 0.20 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.86 1pww h VAL 147 Cb 0.42 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 1pww h VAL 147 CO -0.49 0.00 0.53 1.88 0.02 0.00 0.00 177.57 179.51 1pww h TYR 148 N -0.61 0.61 -0.21 1.57 0.99 -0.19 0.22 116.97 119.35 1pww h TYR 148 Ca 0.04 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1pww h TYR 148 Cb 0.69 -0.19 -0.01 0.00 1.00 0.00 0.00 36.73 38.22 1pww h TYR 148 CO -0.50 0.24 0.13 -0.92 -0.00 0.00 0.00 178.16 177.11 1pww h TYR 149 N 0.53 0.25 -0.25 4.88 3.20 0.41 0.27 116.97 126.26 1pww h TYR 149 Ca 0.39 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.26 1pww h TYR 149 Cb 0.77 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1pww h TYR 149 CO -0.00 0.16 0.11 1.49 -1.64 0.00 0.00 178.16 178.28 1pww h GLU 150 N 0.28 0.37 -0.33 1.82 4.57 0.26 -0.68 114.58 120.88 1pww h GLU 150 Ca 0.08 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.26 1pww h GLU 150 Cb -0.02 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.44 1pww h GLU 150 CO -0.02 0.39 -0.07 0.82 -1.18 0.00 0.00 179.01 178.94 1pww h ILE 151 N 0.27 0.68 -0.80 2.32 2.04 -0.71 0.52 117.51 121.83 1pww h ILE 151 Ca 0.09 -0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.13 1pww h ILE 151 Cb 0.15 0.67 -0.13 0.00 -0.74 0.00 0.00 36.82 36.77 1pww h ILE 151 CO -0.01 0.00 0.13 1.23 0.00 0.00 0.00 178.15 179.50 1pww h GLY 152 N 0.01 1.07 0.46 5.37 0.00 0.39 0.66 103.07 111.04 1pww h GLY 152 Ca 0.16 0.03 0.08 0.00 0.00 0.00 0.00 47.33 47.60 1pww h GLY 152 CO -0.33 -0.30 0.23 1.70 0.00 0.00 0.00 176.54 177.85 1pww h LYS 153 N 0.18 0.42 -0.33 4.80 3.64 0.14 -0.41 116.57 125.02 1pww h LYS 153 Ca 0.46 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.88 1pww h LYS 153 Cb 0.86 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 1pww h LYS 153 CO -0.63 0.28 -0.04 0.82 -2.27 0.00 0.00 179.45 177.61 1pww h ILE 154 N 0.43 0.72 -0.22 2.00 2.04 0.20 0.50 117.51 123.17 1pww h ILE 154 Ca 0.29 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 66.13 1pww h ILE 154 Cb 0.32 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1pww h ILE 154 CO -0.27 0.01 0.12 0.25 0.00 0.00 0.00 178.15 178.25 1pww h LEU 155 N 0.05 0.26 0.00 1.44 5.85 0.41 0.18 115.31 123.50 1pww h LEU 155 Ca 0.16 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1pww h LEU 155 Cb 0.23 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1pww h LEU 155 CO -0.30 0.22 -1.92 -1.54 -0.34 0.00 0.00 178.44 174.56 1pww n SER 156 N -4.47 0.50 -0.12 1.25 3.41 -0.65 -1.70 113.62 111.83 1pww n SER 156 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1pww n SER 156 Cb 0.10 1.84 -0.11 0.00 -0.26 0.00 0.00 64.21 65.78 1pww n SER 156 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1pww n ARG 157 N -2.22 0.61 -0.11 4.33 0.63 0.13 -3.78 116.66 116.25 1pww n ARG 157 Ca -0.05 0.14 -0.25 0.00 -0.92 0.00 0.00 57.85 56.77 1pww n ARG 157 Cb 0.55 -1.49 -0.11 0.00 0.45 0.00 0.00 32.46 31.86 1pww n ARG 157 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1pww n ASP 158 N -3.23 1.92 0.00 6.15 10.43 0.50 -4.33 116.55 127.99 1pww n ASP 158 Ca -0.43 0.35 0.00 0.00 2.57 0.00 0.00 54.79 57.28 1pww n ASP 158 Cb 0.96 -0.88 0.00 0.00 1.84 0.00 0.00 41.12 43.04 1pww n ASP 158 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1pww n ILE 159 N -4.25 0.00 0.06 0.53 -0.00 -0.38 -4.33 119.36 110.99 1pww n ILE 159 Ca -0.42 0.40 0.16 0.00 -0.00 0.00 0.00 62.75 62.90 1pww n ILE 159 Cb 0.80 -1.13 0.65 0.00 -0.00 0.00 0.00 39.64 39.97 1pww n ILE 159 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1pww h LEU 160 N 0.00 0.05 -2.38 1.39 3.38 -1.57 -1.45 115.31 114.73 1pww h LEU 160 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1pww h LEU 160 Cb 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1pww h LEU 160 CO 0.00 0.03 0.10 0.77 0.09 0.00 0.00 178.44 179.43 1pww h SER 161 N 0.05 0.00 1.57 -0.43 4.64 -1.65 -0.19 113.55 117.54 1pww h SER 161 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1pww h SER 161 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1pww h SER 161 CO -0.01 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.06 1pww h LYS 162 N 0.00 0.00 -0.01 4.77 1.57 -1.45 -3.22 116.57 118.24 1pww h LYS 162 Ca 0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1pww h LYS 162 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1pww h LYS 162 CO -0.00 0.00 -0.36 0.44 -0.57 0.00 0.00 179.45 178.96 1pww n ILE 163 N -2.50 2.14 -3.51 1.86 -5.35 -0.16 -5.00 119.36 106.85 1pww n ILE 163 Ca 0.05 -2.99 -0.21 0.00 -0.27 0.00 0.00 62.75 59.33 1pww n ILE 163 Cb 0.44 -0.24 0.08 0.00 -1.74 0.00 0.00 39.64 38.19 1pww n ILE 163 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1pww n ASN 164 N -1.20 -4.49 -4.25 7.28 5.03 -1.00 -4.93 115.26 111.70 1pww n ASN 164 Ca 0.19 -0.57 -0.14 0.00 0.87 0.00 0.00 54.58 54.93 1pww n ASN 164 Cb 0.69 -5.01 -0.10 0.00 -1.02 0.00 0.00 39.78 34.34 1pww n ASN 164 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1pww s GLN 165 N -5.89 1.10 0.72 3.52 -0.21 -0.76 -4.38 119.66 113.76 1pww s GLN 165 Ca 0.33 -1.52 -0.13 0.00 0.02 0.00 0.00 55.36 54.07 1pww s GLN 165 Cb -0.15 -0.37 0.03 0.00 1.00 0.00 0.00 33.01 33.52 1pww s GLN 165 CO 0.72 -0.08 1.11 -2.14 -2.12 0.00 0.00 175.29 172.78 1pww s PRO 166 N -3.87 2.47 0.00 2.91 0.02 -1.26 -3.49 135.00 131.79 1pww s PRO 166 Ca 0.22 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.54 1pww s PRO 166 Cb 0.05 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.66 1pww s PRO 166 CO 0.03 -1.49 0.00 0.98 -0.33 0.00 0.00 177.00 176.19 1pww n TYR 167 N -2.99 0.00 -0.33 6.54 9.36 -1.26 -4.95 117.16 123.53 1pww n TYR 167 Ca 0.10 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.48 1pww n TYR 167 Cb 0.52 0.00 0.32 0.00 -0.63 0.00 0.00 39.34 39.55 1pww n TYR 167 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1pww n GLN 168 N 0.00 -0.08 -0.08 2.98 -0.06 -1.26 -0.08 117.38 118.80 1pww n GLN 168 Ca 0.00 1.44 -0.07 0.00 -2.00 0.00 0.00 57.00 56.37 1pww n GLN 168 Cb 0.00 -2.33 -0.01 0.00 -4.06 0.00 0.00 30.24 23.85 1pww n GLN 168 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 1pww h LYS 169 N 0.00 -0.18 0.00 3.69 3.64 -1.96 -0.20 116.57 121.57 1pww h LYS 169 Ca 0.62 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.90 1pww h LYS 169 Cb 1.33 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 1pww h LYS 169 CO -0.90 -0.12 -0.51 0.35 -2.27 0.00 0.00 179.45 176.00 1pww h PHE 170 N -0.19 0.00 -0.85 1.91 3.57 -0.86 -2.79 116.94 117.74 1pww h PHE 170 Ca 0.16 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1pww h PHE 170 Cb 0.43 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 1pww h PHE 170 CO -0.41 0.51 0.49 -0.07 -2.23 0.00 0.00 178.31 176.60 1pww h LEU 171 N 0.00 1.04 -0.24 0.59 3.38 0.01 -1.58 115.31 118.50 1pww h LEU 171 Ca -0.01 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1pww h LEU 171 Cb 1.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1pww h LEU 171 CO 0.07 0.81 0.11 0.44 0.09 0.00 0.00 178.44 179.96 1pww h ASP 172 N 1.18 0.15 -0.25 -0.43 3.32 -0.80 0.50 116.42 120.08 1pww h ASP 172 Ca 0.30 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.39 1pww h ASP 172 Cb -0.01 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1pww h ASP 172 CO -0.05 0.12 0.11 0.58 -1.72 0.00 0.00 179.24 178.27 1pww h VAL 173 N 0.23 0.96 -0.51 -1.35 2.07 -1.37 -0.30 116.25 115.99 1pww h VAL 173 Ca 0.10 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.62 1pww h VAL 173 Cb 0.04 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 1pww h VAL 173 CO -0.08 0.04 0.14 -0.07 0.02 0.00 0.00 177.57 177.62 1pww h LEU 174 N 0.23 0.09 -0.73 2.57 3.38 -0.74 -2.11 115.31 118.01 1pww h LEU 174 Ca 0.11 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 1pww h LEU 174 Cb 0.06 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1pww h LEU 174 CO -0.09 0.08 -0.21 0.78 0.09 0.00 0.00 178.44 179.08 1pww h ASN 175 N 0.30 0.76 -0.30 -0.43 2.35 -0.55 -2.62 115.58 115.09 1pww h ASN 175 Ca 0.25 -0.27 0.09 0.00 -0.55 0.00 0.00 56.30 55.82 1pww h ASN 175 Cb 0.31 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1pww h ASN 175 CO -0.29 0.95 0.24 0.74 -1.65 0.00 0.00 177.43 177.42 1pww h THR 176 N 0.66 0.75 0.19 2.81 2.02 -0.37 -2.32 112.91 116.64 1pww h THR 176 Ca 0.09 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.97 1pww h THR 176 Cb 0.71 0.83 0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1pww h THR 176 CO 0.05 0.00 -1.44 0.40 0.37 0.00 0.00 175.52 174.90 1pww h ILE 177 N 0.00 1.16 0.01 3.11 1.08 -1.19 -3.34 117.51 118.34 1pww h ILE 177 Ca 0.14 -2.55 -0.00 0.00 -0.39 0.00 0.00 64.86 62.06 1pww h ILE 177 Cb 0.62 2.92 0.00 0.00 -3.07 0.00 0.00 36.82 37.29 1pww h ILE 177 CO -0.00 0.79 -0.00 0.07 -0.69 0.00 0.00 178.15 178.31 1pww h LYS 178 N -0.05 -0.01 -2.65 2.37 2.10 -1.29 -3.29 116.57 113.75 1pww h LYS 178 Ca -0.28 0.00 -0.75 0.00 -2.00 0.00 0.00 60.65 57.63 1pww h LYS 178 Cb 1.98 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 33.17 1pww h LYS 178 CO 0.18 0.48 2.25 0.09 -2.00 0.00 0.00 179.45 180.45 1pww n ASN 179 N -4.86 7.75 -4.14 7.07 3.02 -0.90 -4.93 115.26 118.28 1pww n ASN 179 Ca -0.08 -3.19 -0.09 0.00 -0.03 0.00 0.00 54.58 51.18 1pww n ASN 179 Cb 0.25 -1.35 -0.10 0.00 -0.61 0.00 0.00 39.78 37.97 1pww n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pww s ALA 180 N -1.34 0.79 0.00 5.41 0.00 -1.24 -4.88 121.76 120.50 1pww s ALA 180 Ca 0.51 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1pww s ALA 180 Cb 0.18 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1pww s ALA 180 CO -0.09 -0.41 0.00 0.45 0.00 0.00 0.00 175.76 175.71 1pww n SER 181 N -0.03 0.00 -4.75 0.00 2.88 -1.26 -4.49 113.62 105.97 1pww n SER 181 Ca -0.09 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.04 1pww n SER 181 Cb 0.63 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.07 1pww n SER 181 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1pww s ASP 182 N -2.35 6.48 0.00 -3.46 2.15 -1.26 -4.91 116.67 113.32 1pww s ASP 182 Ca 0.00 2.83 0.24 0.00 0.43 0.00 0.00 52.55 56.06 1pww s ASP 182 Cb 0.00 -2.63 0.90 0.00 -0.30 0.00 0.00 42.92 40.89 1pww s ASP 182 CO 0.00 -0.84 1.65 -1.54 -0.17 0.00 0.00 175.17 174.26 1pww n SER 183 N 2.42 1.57 0.28 -0.34 3.41 -1.26 -4.30 113.62 115.40 1pww n SER 183 Ca 0.08 -1.60 -0.15 0.00 -0.26 0.00 0.00 58.87 56.94 1pww n SER 183 Cb 0.38 -0.06 -0.08 0.00 -0.26 0.00 0.00 64.21 64.20 1pww n SER 183 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pww h ASP 184 N 2.26 -0.60 -0.95 4.04 3.45 -1.91 -2.80 116.42 119.91 1pww h ASP 184 Ca 0.00 -0.05 0.27 0.00 0.43 0.00 0.00 57.03 57.68 1pww h ASP 184 Cb 0.49 0.16 -0.18 0.00 -0.56 0.00 0.00 39.33 39.24 1pww h ASP 184 CO 0.00 -0.30 0.06 0.61 -1.57 0.00 0.00 179.24 178.05 1pww n GLY 185 N -0.84 -1.24 0.17 2.75 0.00 -0.88 0.12 105.19 105.27 1pww n GLY 185 Ca -0.11 0.91 -0.14 0.00 0.00 0.00 0.00 46.02 46.68 1pww n GLY 185 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1pww h GLN 186 N 0.00 -0.34 -1.06 1.61 4.20 -1.77 -2.66 115.11 115.08 1pww h GLN 186 Ca 0.59 0.02 0.29 0.00 0.06 0.00 0.00 58.65 59.62 1pww h GLN 186 Cb 1.26 0.08 -0.11 0.00 0.30 0.00 0.00 27.48 29.01 1pww h GLN 186 CO -0.88 -0.18 0.66 -0.44 -0.67 0.00 0.00 178.83 177.31 1pww h ASP 187 N -0.42 0.50 1.05 1.46 3.45 0.13 0.30 116.42 122.89 1pww h ASP 187 Ca -0.04 0.12 -0.19 0.00 0.43 0.00 0.00 57.03 57.35 1pww h ASP 187 Cb 0.32 0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 39.11 1pww h ASP 187 CO 0.06 0.03 -0.93 0.25 -1.57 0.00 0.00 179.24 177.08 1pww h LEU 188 N 0.40 0.00 0.00 1.55 5.85 -0.92 -3.42 115.31 118.77 1pww h LEU 188 Ca 0.65 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.37 1pww h LEU 188 Cb 1.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.60 1pww h LEU 188 CO -0.40 0.93 -0.99 0.18 -0.34 0.00 0.00 178.44 177.81 1pww n LEU 189 N -3.35 2.77 -4.86 2.25 4.77 -0.74 -5.06 117.00 112.79 1pww n LEU 189 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 1pww n LEU 189 Cb 0.90 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.98 1pww n LEU 189 CO 0.46 0.46 0.67 -0.36 -1.33 0.00 0.00 177.39 177.29 1pww s PHE 190 N -1.99 3.53 0.35 -1.77 2.99 0.98 -4.79 117.98 117.28 1pww s PHE 190 Ca 0.00 1.34 0.08 0.00 0.00 0.00 0.00 56.93 58.35 1pww s PHE 190 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 43.02 40.26 1pww s PHE 190 CO 0.00 -0.47 0.16 0.95 -0.00 0.00 0.00 175.22 175.86 1pww s THR 191 N -2.83 2.97 0.31 0.64 -4.23 -1.26 -4.69 115.64 106.54 1pww s THR 191 Ca 0.56 -1.67 0.06 0.00 -1.18 0.00 0.00 61.69 59.46 1pww s THR 191 Cb -0.10 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 71.05 1pww s THR 191 CO 0.41 -0.16 1.80 0.78 -0.54 0.00 0.00 174.62 176.91 1pww h ASN 192 N 1.51 0.79 -0.50 3.99 4.21 -1.98 1.64 115.58 125.24 1pww h ASN 192 Ca -0.44 0.08 0.09 0.00 1.21 0.00 0.00 56.30 57.25 1pww h ASN 192 Cb 1.25 -0.07 -0.10 0.00 -1.12 0.00 0.00 38.32 38.28 1pww h ASN 192 CO 0.63 0.32 -0.32 -0.61 -1.29 0.00 0.00 177.43 176.16 1pww h GLN 193 N 0.79 -0.19 -0.02 0.81 5.75 -1.98 0.50 115.11 120.77 1pww h GLN 193 Ca 0.55 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 59.02 1pww h GLN 193 Cb 0.83 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.42 1pww h GLN 193 CO -0.34 -0.13 -0.16 -0.07 -2.65 0.00 0.00 178.83 175.48 1pww h LEU 194 N -0.20 0.18 -0.64 -2.39 3.38 -1.12 -3.21 115.31 111.32 1pww h LEU 194 Ca 0.21 -0.69 0.13 0.00 0.09 0.00 0.00 57.88 57.62 1pww h LEU 194 Cb 0.54 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.12 1pww h LEU 194 CO -0.61 0.85 -0.09 0.11 0.09 0.00 0.00 178.44 178.79 1pww h LYS 195 N -0.47 0.05 0.00 1.13 1.57 0.30 -0.76 116.57 118.39 1pww h LYS 195 Ca -0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1pww h LYS 195 Cb 0.85 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1pww h LYS 195 CO 0.03 0.03 0.00 0.39 -0.57 0.00 0.00 179.45 179.33 1pww n GLU 196 N -5.37 0.57 -1.72 3.15 1.02 0.17 -4.88 120.64 113.58 1pww n GLU 196 Ca 0.09 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 1pww n GLU 196 Cb 0.35 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 1pww n GLU 196 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1pww s HIS 197 N -2.39 2.71 0.00 -0.32 2.46 -0.29 -4.94 115.29 112.52 1pww s HIS 197 Ca 0.33 0.24 0.00 0.00 0.47 0.00 0.00 55.06 56.10 1pww s HIS 197 Cb 0.20 -4.16 0.00 0.00 -0.13 0.00 0.00 32.58 28.49 1pww s HIS 197 CO 0.41 -4.49 0.83 -0.35 -2.47 0.00 0.00 174.74 168.66 1pww n PRO 198 N 4.40 0.00 -0.02 2.88 -0.04 -1.26 -4.87 135.00 136.08 1pww n PRO 198 Ca 0.16 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 1pww n PRO 198 Cb 0.36 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1pww n PRO 198 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1pww n THR 199 N -1.74 0.00 -0.99 0.52 5.66 -1.26 -5.09 114.28 111.38 1pww n THR 199 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1pww n THR 199 Cb 0.00 -1.65 0.07 0.00 -1.55 0.00 0.00 70.33 67.20 1pww n THR 199 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1pww n ASP 200 N -0.19 -0.63 -4.21 1.09 9.92 -1.26 -5.00 116.55 116.27 1pww n ASP 200 Ca 0.00 -0.93 -0.41 0.00 -0.53 0.00 0.00 54.79 52.91 1pww n ASP 200 Cb 0.00 -0.31 -0.07 0.00 -0.64 0.00 0.00 41.12 40.10 1pww n ASP 200 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1pww s PHE 201 N -1.76 3.50 0.66 1.24 2.99 -1.26 -5.05 117.98 118.31 1pww s PHE 201 Ca 0.23 -2.12 -0.11 0.00 0.00 0.00 0.00 56.93 54.93 1pww s PHE 201 Cb -0.01 -3.51 -0.01 0.00 0.00 0.00 0.00 43.02 39.49 1pww s PHE 201 CO 0.16 -0.95 1.05 -1.54 -0.00 0.00 0.00 175.22 173.94 1pww s SER 202 N 2.03 5.74 0.37 1.36 1.04 -1.26 -4.87 113.70 118.11 1pww s SER 202 Ca 0.12 1.19 0.15 0.00 0.48 0.00 0.00 55.95 57.88 1pww s SER 202 Cb -0.21 -2.10 1.00 0.00 0.10 0.00 0.00 66.02 64.82 1pww s SER 202 CO -0.03 -1.14 1.78 0.58 0.98 0.00 0.00 173.24 175.41 1pww h VAL 203 N -0.48 0.59 -0.14 5.02 2.07 -2.00 0.25 116.25 121.56 1pww h VAL 203 Ca -0.45 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1pww h VAL 203 Cb 1.23 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1pww h VAL 203 CO 0.63 0.09 -0.11 -0.33 0.02 0.00 0.00 177.57 177.86 1pww h GLU 204 N 0.49 0.22 0.48 1.57 3.07 -2.00 -2.51 114.58 115.89 1pww h GLU 204 Ca 0.58 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.37 1pww h GLU 204 Cb 1.30 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1pww h GLU 204 CO -0.31 0.34 -0.23 0.35 -1.40 0.00 0.00 179.01 177.76 1pww h PHE 205 N 0.21 -0.59 -1.01 4.33 3.04 -0.86 -3.02 116.94 119.04 1pww h PHE 205 Ca 0.04 -0.01 0.29 0.00 3.98 0.00 0.00 57.97 62.27 1pww h PHE 205 Cb 0.34 0.20 -0.04 0.00 2.56 0.00 0.00 35.95 39.00 1pww h PHE 205 CO 0.00 -0.30 0.81 1.25 -2.02 0.00 0.00 178.31 178.06 1pww h LEU 206 N -1.09 0.00 -0.15 0.59 6.46 -1.39 -0.09 115.31 119.64 1pww h LEU 206 Ca -0.07 0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.47 1pww h LEU 206 Cb 0.56 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1pww h LEU 206 CO 0.11 0.00 -0.77 -0.08 -0.62 0.00 0.00 178.44 177.08 1pww h GLU 207 N 0.00 0.78 -0.84 1.25 4.81 -1.37 -2.83 114.58 116.39 1pww h GLU 207 Ca 0.48 -0.64 -0.59 0.00 -0.13 0.00 0.00 59.36 58.48 1pww h GLU 207 Cb 2.10 0.14 -0.37 0.00 0.63 0.00 0.00 28.75 31.25 1pww h GLU 207 CO -0.01 1.25 -0.13 0.00 -0.73 0.00 0.00 179.01 179.39 1pww n GLN 208 N -3.96 3.20 -1.76 1.92 10.64 -0.09 -4.28 117.38 123.06 1pww n GLN 208 Ca -0.08 -3.79 -0.02 0.00 -1.83 0.00 0.00 57.00 51.28 1pww n GLN 208 Cb 0.74 -2.27 0.04 0.00 -0.86 0.00 0.00 30.24 27.89 1pww n GLN 208 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1pww n ASN 209 N -0.81 -0.71 -0.17 2.61 3.02 -0.96 -5.01 115.26 113.24 1pww n ASN 209 Ca 0.51 -1.49 -0.06 0.00 -0.03 0.00 0.00 54.58 53.52 1pww n ASN 209 Cb 0.85 0.31 0.03 0.00 -0.61 0.00 0.00 39.78 40.36 1pww n ASN 209 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1pww h SER 210 N 0.39 0.51 -0.50 6.41 0.02 -1.68 -2.08 113.55 116.61 1pww h SER 210 Ca -0.25 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 60.78 1pww h SER 210 Cb 1.11 -0.11 -0.10 0.00 0.14 0.00 0.00 62.40 63.44 1pww h SER 210 CO -0.11 0.36 -0.39 -0.55 -1.14 0.00 0.00 176.83 174.99 1pww h ASN 211 N 0.62 -1.33 0.04 3.07 -1.07 -1.95 0.35 115.58 115.31 1pww h ASN 211 Ca 0.20 0.22 0.01 0.00 0.07 0.00 0.00 56.30 56.81 1pww h ASN 211 Cb 0.00 0.61 -0.04 0.00 -2.07 0.00 0.00 38.32 36.83 1pww h ASN 211 CO -0.08 -0.34 -0.40 -0.33 0.07 0.00 0.00 177.43 176.35 1pww h GLU 212 N -0.25 -0.52 -0.73 4.14 4.39 -1.80 -0.34 114.58 119.48 1pww h GLU 212 Ca 0.18 0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.97 1pww h GLU 212 Cb 0.56 0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.28 1pww h GLU 212 CO -0.63 -0.34 0.43 0.28 -1.16 0.00 0.00 179.01 177.59 1pww h VAL 213 N -0.53 1.00 -0.70 3.13 2.07 -1.06 -1.70 116.25 118.47 1pww h VAL 213 Ca 0.00 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.32 1pww h VAL 213 Cb 0.56 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1pww h VAL 213 CO -0.25 0.14 0.46 1.56 0.02 0.00 0.00 177.57 179.51 1pww h GLN 214 N 0.79 0.69 -0.11 1.57 4.20 0.12 -1.64 115.11 120.73 1pww h GLN 214 Ca 0.32 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1pww h GLN 214 Cb 0.17 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1pww h GLN 214 CO -0.17 0.45 0.03 1.49 -0.67 0.00 0.00 178.83 179.96 1pww h GLU 215 N 0.71 0.17 -0.44 1.46 4.57 -0.15 -2.09 114.58 118.81 1pww h GLU 215 Ca 0.30 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.48 1pww h GLU 215 Cb 0.28 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 1pww h GLU 215 CO -0.10 0.33 0.21 0.28 -1.18 0.00 0.00 179.01 178.55 1pww h VAL 216 N -0.02 0.95 -0.90 0.32 2.07 -0.94 -0.76 116.25 116.96 1pww h VAL 216 Ca 0.03 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1pww h VAL 216 Cb 0.24 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1pww h VAL 216 CO -0.00 0.08 0.55 0.15 0.02 0.00 0.00 177.57 178.37 1pww h PHE 217 N 0.42 1.02 0.17 1.57 3.57 -1.22 -1.49 116.94 120.98 1pww h PHE 217 Ca 0.19 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1pww h PHE 217 Cb 0.12 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1pww h PHE 217 CO -0.11 0.48 -0.08 0.00 -2.23 0.00 0.00 178.31 176.36 1pww h ALA 218 N 1.45 -0.23 -0.91 2.41 0.00 -0.51 -0.67 119.26 120.80 1pww h ALA 218 Ca 0.41 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1pww h ALA 218 Cb 0.27 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1pww h ALA 218 CO -0.21 -0.58 0.58 0.87 0.00 0.00 0.00 179.25 179.91 1pww h LYS 219 N -0.33 1.04 -0.04 0.00 1.57 -0.77 0.19 116.57 118.22 1pww h LYS 219 Ca -0.02 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1pww h LYS 219 Cb 0.26 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1pww h LYS 219 CO 0.04 0.69 0.02 0.00 -0.57 0.00 0.00 179.45 179.63 1pww h ALA 220 N 1.41 0.06 -0.78 3.86 0.00 -1.18 -1.15 119.26 121.47 1pww h ALA 220 Ca 0.38 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.28 1pww h ALA 220 Cb 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1pww h ALA 220 CO -0.16 -0.36 0.45 0.35 0.00 0.00 0.00 179.25 179.54 1pww h PHE 221 N -0.09 0.83 0.12 0.00 3.57 -0.32 -1.70 116.94 119.36 1pww h PHE 221 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1pww h PHE 221 Cb 0.16 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 1pww h PHE 221 CO -0.02 0.38 -0.07 0.00 -2.23 0.00 0.00 178.31 176.37 1pww h ALA 222 N 1.40 -0.96 -1.25 2.41 0.00 -0.27 0.74 119.26 121.33 1pww h ALA 222 Ca 0.36 -0.04 0.36 0.00 0.00 0.00 0.00 54.91 55.59 1pww h ALA 222 Cb 0.25 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 1pww h ALA 222 CO -0.20 -0.96 0.85 1.88 0.00 0.00 0.00 179.25 180.82 1pww h TYR 223 N -0.18 0.31 0.07 0.00 -1.99 -1.18 0.11 116.97 114.12 1pww h TYR 223 Ca -0.02 0.01 -0.27 0.00 2.00 0.00 0.00 58.73 60.46 1pww h TYR 223 Cb 0.14 -0.09 0.01 0.00 2.00 0.00 0.00 36.73 38.80 1pww h TYR 223 CO 0.09 -0.02 -1.13 -0.92 -0.00 0.00 0.00 178.16 176.18 1pww h TYR 224 N 0.14 0.77 -0.11 4.88 3.20 -1.03 -1.84 116.97 122.99 1pww h TYR 224 Ca 0.67 -0.47 -0.15 0.00 3.14 0.00 0.00 58.73 61.92 1pww h TYR 224 Cb 2.25 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 40.46 1pww h TYR 224 CO -0.00 1.32 -0.50 0.82 -1.64 0.00 0.00 178.16 178.16 1pww h ILE 225 N 0.23 1.36 -2.71 1.81 1.08 0.16 -3.41 117.51 116.02 1pww h ILE 225 Ca -0.14 -1.81 -0.54 0.00 -0.39 0.00 0.00 64.86 61.98 1pww h ILE 225 Cb 1.80 2.16 -0.05 0.00 -3.07 0.00 0.00 36.82 37.66 1pww h ILE 225 CO 0.20 0.55 1.15 -0.70 -0.69 0.00 0.00 178.15 178.66 1pww s GLU 226 N -3.72 3.23 0.37 2.37 -6.30 -0.39 -4.88 118.70 109.39 1pww s GLU 226 Ca -0.13 0.60 0.10 0.00 -2.50 0.00 0.00 54.97 53.04 1pww s GLU 226 Cb 0.06 -4.16 0.57 0.00 0.00 0.00 0.00 34.13 30.59 1pww s GLU 226 CO 0.83 -2.02 1.19 -1.00 0.02 0.00 0.00 175.26 174.28 1pww h PRO 227 N 11.74 0.00 0.03 4.30 0.13 -1.84 -2.43 132.00 143.93 1pww h PRO 227 Ca -0.27 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.63 1pww h PRO 227 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1pww h PRO 227 CO 1.16 0.00 -1.19 1.96 -0.23 0.00 0.00 178.00 179.71 1pww h GLN 228 N 0.00 0.07 0.00 0.86 1.08 -1.89 -3.36 115.11 111.86 1pww h GLN 228 Ca 0.00 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1pww h GLN 228 Cb 0.91 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1pww h GLN 228 CO 0.00 1.06 0.00 0.72 -0.95 0.00 0.00 178.83 179.66 1pww n HIS 229 N -4.28 0.00 -0.24 2.96 8.25 -0.93 -3.77 115.22 117.21 1pww n HIS 229 Ca -0.28 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.18 1pww n HIS 229 Cb 0.73 -0.24 0.11 0.00 1.12 0.00 0.00 29.99 31.71 1pww n HIS 229 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1pww h ARG 230 N 0.00 0.66 -0.55 -0.41 2.43 -1.08 -2.09 114.38 113.34 1pww h ARG 230 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1pww h ARG 230 Cb 0.20 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1pww h ARG 230 CO 0.00 0.44 0.35 -0.44 -1.51 0.00 0.00 179.97 178.81 1pww h ASP 231 N 0.68 0.64 -0.67 -3.80 3.32 -1.83 0.63 116.42 115.39 1pww h ASP 231 Ca 0.32 -0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.40 1pww h ASP 231 Cb 0.24 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1pww h ASP 231 CO -0.20 0.49 0.44 0.58 -1.72 0.00 0.00 179.24 178.83 1pww h VAL 232 N 0.74 0.98 -0.01 -1.35 2.07 -1.63 0.56 116.25 117.61 1pww h VAL 232 Ca 0.20 -0.22 -0.21 0.00 0.82 0.00 0.00 66.70 67.29 1pww h VAL 232 Cb -0.05 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1pww h VAL 232 CO -0.04 0.12 -0.90 0.25 0.02 0.00 0.00 177.57 177.01 1pww h LEU 233 N 0.63 0.47 0.00 2.57 7.12 -0.77 -1.91 115.31 123.43 1pww h LEU 233 Ca 0.30 -0.37 -0.02 0.00 0.13 0.00 0.00 57.88 57.92 1pww h LEU 233 Cb 0.34 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.33 1pww h LEU 233 CO -0.10 1.16 -0.14 -0.61 -0.13 0.00 0.00 178.44 178.62 1pww h GLN 234 N 0.21 0.00 0.00 1.25 4.15 0.39 -1.95 115.11 119.16 1pww h GLN 234 Ca -0.07 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.30 1pww h GLN 234 Cb 1.53 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.21 1pww h GLN 234 CO 0.15 0.08 -0.34 1.25 -1.93 0.00 0.00 178.83 178.04 1pww h LEU 235 N 0.00 0.00 -0.72 -2.39 5.85 0.10 -3.35 115.31 114.80 1pww h LEU 235 Ca -0.00 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 58.02 1pww h LEU 235 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1pww h LEU 235 CO 0.01 1.05 -0.42 -1.22 -0.34 0.00 0.00 178.44 177.52 1pww n TYR 236 N -4.59 0.00 -2.81 1.25 4.01 -0.72 -4.67 117.16 109.63 1pww n TYR 236 Ca -0.14 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.51 1pww n TYR 236 Cb 0.46 -0.06 0.02 0.00 -0.31 0.00 0.00 39.34 39.45 1pww n TYR 236 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pww n ALA 237 N -0.39 -1.14 0.03 -0.72 0.00 -0.73 -2.08 120.51 115.47 1pww n ALA 237 Ca 0.10 -1.48 -0.06 0.00 0.00 0.00 0.00 53.44 52.00 1pww n ALA 237 Cb 0.41 -1.33 0.12 0.00 0.00 0.00 0.00 19.45 18.65 1pww n ALA 237 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pww h PRO 238 N 4.41 0.44 -0.51 0.00 0.11 -1.69 -1.54 132.00 133.22 1pww h PRO 238 Ca -0.05 -0.25 0.04 0.00 0.11 0.00 0.00 66.00 65.86 1pww h PRO 238 Cb 1.04 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 1pww h PRO 238 CO 0.23 0.82 0.27 0.93 -0.21 0.00 0.00 178.00 180.04 1pww h GLU 239 N 0.36 0.51 0.43 1.05 4.39 -1.93 0.36 114.58 119.75 1pww h GLU 239 Ca 0.02 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1pww h GLU 239 Cb 0.96 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1pww h GLU 239 CO 0.08 0.34 -0.21 0.00 -1.16 0.00 0.00 179.01 178.06 1pww h ALA 240 N 1.27 -0.58 -0.99 3.43 0.00 -1.86 -1.85 119.26 118.68 1pww h ALA 240 Ca 0.22 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.10 1pww h ALA 240 Cb 0.11 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 1pww h ALA 240 CO -0.15 -0.76 0.63 0.35 0.00 0.00 0.00 179.25 179.32 1pww h PHE 241 N -0.71 1.10 -0.03 0.00 3.04 -0.88 -0.60 116.94 118.87 1pww h PHE 241 Ca -0.06 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.92 1pww h PHE 241 Cb 0.51 -0.35 -0.00 0.00 2.56 0.00 0.00 35.95 38.67 1pww h PHE 241 CO -0.02 0.43 0.00 -0.91 -2.02 0.00 0.00 178.31 175.80 1pww h ASN 242 N 0.95 0.05 -0.02 0.41 -0.26 -0.21 -1.18 115.58 115.33 1pww h ASN 242 Ca 0.49 -0.26 0.03 0.00 -0.56 0.00 0.00 56.30 56.01 1pww h ASN 242 Cb 0.53 -0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 37.72 1pww h ASN 242 CO -0.26 0.30 -0.40 0.22 -1.06 0.00 0.00 177.43 176.23 1pww h TYR 243 N -0.20 -1.12 -0.01 1.19 5.03 -0.44 -0.30 116.97 121.11 1pww h TYR 243 Ca 0.01 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.35 1pww h TYR 243 Cb 0.27 0.50 -0.00 0.00 1.55 0.00 0.00 36.73 39.04 1pww h TYR 243 CO 0.01 -0.48 -0.01 0.52 -1.32 0.00 0.00 178.16 176.89 1pww h MET 244 N -0.54 0.01 0.22 1.82 2.86 -1.12 -0.67 114.93 117.51 1pww h MET 244 Ca 0.05 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1pww h MET 244 Cb 0.63 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1pww h MET 244 CO -0.32 0.02 -0.10 0.22 1.06 0.00 0.00 176.91 177.79 1pww h ASP 245 N 0.01 -0.25 -0.86 1.22 -0.00 -0.13 -1.66 116.42 114.75 1pww h ASP 245 Ca 0.00 -0.26 -0.03 0.00 -0.00 0.00 0.00 57.03 56.74 1pww h ASP 245 Cb 0.02 0.06 -0.04 0.00 -0.00 0.00 0.00 39.33 39.38 1pww h ASP 245 CO 0.00 0.17 0.43 0.50 -0.00 0.00 0.00 179.24 180.34 1pww h LYS 246 N -0.72 1.23 0.14 0.28 3.64 -0.83 -2.50 116.57 117.82 1pww h LYS 246 Ca -0.03 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1pww h LYS 246 Cb 0.49 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1pww h LYS 246 CO 0.05 0.94 -0.07 0.35 -2.27 0.00 0.00 179.45 178.45 1pww h PHE 247 N 1.22 -0.18 0.00 1.91 3.57 -1.12 -2.46 116.94 119.89 1pww h PHE 247 Ca 0.30 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1pww h PHE 247 Cb 0.10 0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1pww h PHE 247 CO 0.01 -0.08 0.00 0.09 -2.23 0.00 0.00 178.31 176.10 1pww n ASN 248 N -5.16 0.00 -0.17 0.41 3.02 -0.63 -0.67 115.26 112.06 1pww n ASN 248 Ca -0.08 -0.98 0.05 0.00 -0.03 0.00 0.00 54.58 53.54 1pww n ASN 248 Cb 0.11 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.26 1pww n ASN 248 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pww n GLU 249 N -0.99 2.48 0.06 3.52 -0.58 -0.95 -4.91 120.64 119.27 1pww n GLU 249 Ca 0.23 -0.43 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 1pww n GLU 249 Cb 0.10 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 1pww n GLU 249 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pww n GLN 250 N -0.56 0.00 0.00 3.49 10.64 -0.95 -4.95 117.38 125.05 1pww n GLN 250 Ca 0.04 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 1pww n GLN 250 Cb 0.22 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.60 1pww n GLN 250 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1pww n GLU 251 N -2.62 0.00 0.07 2.61 1.02 -1.17 -0.02 120.64 120.53 1pww n GLU 251 Ca 0.00 0.20 -0.04 0.00 -0.02 0.00 0.00 57.16 57.30 1pww n GLU 251 Cb 0.00 -1.70 -0.08 0.00 -0.02 0.00 0.00 31.44 29.65 1pww n GLU 251 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1pww h ILE 252 N 0.00 1.25 -0.48 -3.67 2.10 -1.16 -3.12 117.51 112.43 1pww h ILE 252 Ca 0.00 -2.86 -0.07 0.00 1.08 0.00 0.00 64.86 63.01 1pww h ILE 252 Cb 0.39 2.60 -0.02 0.00 -1.09 0.00 0.00 36.82 38.70 1pww h ILE 252 CO 0.00 0.71 0.01 -1.13 -1.08 0.00 0.00 178.15 176.67 1pww h ASN 253 N 0.00 0.75 0.92 2.19 -1.24 -0.72 -0.50 115.58 116.99 1pww h ASN 253 Ca -0.06 -0.17 -0.02 0.00 0.71 0.00 0.00 56.30 56.75 1pww h ASN 253 Cb 1.68 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 40.53 1pww h ASN 253 CO 0.10 0.81 -0.12 -0.07 -1.29 0.00 0.00 177.43 176.86 1pww h LEU 254 N 0.74 0.00 -0.07 0.34 3.38 -1.66 -1.26 115.31 116.78 1pww h LEU 254 Ca 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1pww h LEU 254 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1pww h LEU 254 CO 0.02 0.12 -0.14 0.28 0.09 0.00 0.00 178.44 178.81 1pww h SER 255 N 0.00 0.25 -0.23 -0.43 0.02 -1.06 -2.21 113.55 109.89 1pww h SER 255 Ca -0.00 -0.56 0.03 0.00 -0.84 0.00 0.00 61.79 60.42 1pww h SER 255 Cb 0.61 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 1pww h SER 255 CO 0.02 0.76 0.05 0.25 -1.14 0.00 0.00 176.83 176.76 1pww h LEU 256 N -0.26 0.01 -0.61 5.07 6.46 -1.11 -0.07 115.31 124.80 1pww h LEU 256 Ca 0.00 0.03 0.12 0.00 -0.12 0.00 0.00 57.88 57.92 1pww h LEU 256 Cb 0.72 0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 40.60 1pww h LEU 256 CO 0.03 0.04 0.10 -0.08 -0.62 0.00 0.00 178.44 177.91 1pww h GLU 257 N 0.14 0.21 -0.09 1.25 4.57 -1.21 0.60 114.58 120.05 1pww h GLU 257 Ca 0.10 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1pww h GLU 257 Cb 0.10 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1pww h GLU 257 CO -0.14 0.14 -0.01 1.49 -1.18 0.00 0.00 179.01 179.31 1pww h GLU 258 N 0.22 0.01 0.00 1.92 4.57 -0.67 -1.15 114.58 119.49 1pww h GLU 258 Ca 0.33 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.54 1pww h GLU 258 Cb 0.51 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 1pww h GLU 258 CO -0.45 0.01 -0.40 -0.07 -1.18 0.00 0.00 179.01 176.91 1pww h LEU 259 N 0.01 -1.22 -0.95 1.64 3.38 0.68 -1.26 115.31 117.58 1pww h LEU 259 Ca 0.04 0.15 0.20 0.00 0.09 0.00 0.00 57.88 58.36 1pww h LEU 259 Cb 0.06 0.48 -0.11 0.00 0.09 0.00 0.00 40.66 41.18 1pww h LEU 259 CO -0.08 -0.45 0.53 0.11 0.09 0.00 0.00 178.44 178.64 1pww h LYS 260 N -0.56 0.61 0.00 1.13 1.57 -0.71 0.25 116.57 118.86 1pww h LYS 260 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1pww h LYS 260 Cb 0.64 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1pww h LYS 260 CO -0.31 0.40 0.16 0.22 -0.57 0.00 0.00 179.45 179.35 1pww h ASP 261 N 0.63 0.00 0.16 0.86 1.82 0.03 -1.00 116.42 118.92 1pww h ASP 261 Ca 0.57 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.21 1pww h ASP 261 Cb 0.95 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.96 1pww h ASP 261 CO -0.43 0.00 -0.34 0.00 -1.61 0.00 0.00 179.24 176.87 1pww n GLN 262 N -2.89 0.93 -3.35 0.28 6.02 0.08 -4.82 117.38 113.64 1pww n GLN 262 Ca -0.02 -0.64 -0.38 0.00 -0.01 0.00 0.00 57.00 55.95 1pww n GLN 262 Cb 0.21 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 29.92 1pww n GLN 262 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1pww s ARG 263 N -2.51 4.26 0.14 -1.09 0.52 -0.38 -4.99 118.95 114.91 1pww s ARG 263 Ca 0.22 0.34 -0.18 0.00 -0.52 0.00 0.00 55.73 55.58 1pww s ARG 263 Cb 0.19 -3.49 0.01 0.00 0.52 0.00 0.00 34.95 32.18 1pww s ARG 263 CO 0.54 0.06 1.73 1.98 0.02 0.00 0.00 175.30 179.63 1pww h MET 264 N 7.03 0.12 -0.41 3.54 1.85 -1.89 -1.00 114.93 124.16 1pww h MET 264 Ca -0.38 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 58.68 1pww h MET 264 Cb 1.17 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 33.15 1pww h MET 264 CO 0.74 0.08 0.19 -0.07 -0.40 0.00 0.00 176.91 177.45 1pww h LEU 265 N 0.12 0.54 -0.06 3.39 4.07 -1.94 -0.94 115.31 120.49 1pww h LEU 265 Ca 0.12 -0.14 0.03 0.00 0.08 0.00 0.00 57.88 57.98 1pww h LEU 265 Cb 0.14 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 1pww h LEU 265 CO -0.18 0.53 -0.15 0.28 -1.08 0.00 0.00 178.44 177.84 1pww h SER 266 N 0.52 -0.44 -0.57 -0.43 0.02 -1.76 0.20 113.55 111.09 1pww h SER 266 Ca 0.14 0.07 0.09 0.00 -0.84 0.00 0.00 61.79 61.26 1pww h SER 266 Cb 0.13 0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.80 1pww h SER 266 CO -0.02 -0.20 0.18 0.03 -1.14 0.00 0.00 176.83 175.69 1pww h ARG 267 N -0.21 0.33 0.00 3.45 3.08 -1.00 -0.93 114.38 119.11 1pww h ARG 267 Ca 0.07 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 1pww h ARG 267 Cb 0.31 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1pww h ARG 267 CO -0.19 0.22 -0.66 1.88 -1.07 0.00 0.00 179.97 180.15 1pww h TYR 268 N 0.34 0.00 -0.28 3.04 0.05 -0.51 -1.91 116.97 117.70 1pww h TYR 268 Ca 0.29 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.01 1pww h TYR 268 Cb 0.37 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1pww h TYR 268 CO -0.19 0.66 -0.05 1.49 -1.05 0.00 0.00 178.16 179.03 1pww h GLU 269 N 0.00 0.52 -0.43 4.88 4.81 -0.11 -1.57 114.58 122.68 1pww h GLU 269 Ca -0.01 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 1pww h GLU 269 Cb 1.18 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1pww h GLU 269 CO 0.09 0.71 0.17 -0.22 -0.73 0.00 0.00 179.01 179.03 1pww h LYS 270 N 0.28 0.64 -0.45 1.92 3.64 -1.07 -2.63 116.57 118.91 1pww h LYS 270 Ca 0.07 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1pww h LYS 270 Cb 0.51 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 1pww h LYS 270 CO 0.02 0.60 0.23 2.35 -2.27 0.00 0.00 179.45 180.38 1pww h TRP 271 N 0.55 0.42 0.00 1.91 2.91 -1.30 -2.92 115.95 117.53 1pww h TRP 271 Ca 0.14 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.19 1pww h TRP 271 Cb 0.20 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 1pww h TRP 271 CO 0.00 0.21 -0.06 0.93 -1.03 0.00 0.00 178.44 178.50 1pww h GLU 272 N 0.46 -0.10 -0.68 2.65 4.39 -1.01 0.61 114.58 120.89 1pww h GLU 272 Ca 0.20 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.96 1pww h GLU 272 Cb 0.10 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 1pww h GLU 272 CO -0.14 -0.07 0.40 0.87 -1.16 0.00 0.00 179.01 178.91 1pww h LYS 273 N -0.11 0.72 0.06 2.33 1.57 -1.46 0.35 116.57 120.03 1pww h LYS 273 Ca 0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1pww h LYS 273 Cb 0.13 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1pww h LYS 273 CO -0.06 0.48 -0.06 0.82 -0.57 0.00 0.00 179.45 180.06 1pww h ILE 274 N 0.74 0.86 -0.98 1.86 2.04 -1.28 0.43 117.51 121.18 1pww h ILE 274 Ca 0.30 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.26 1pww h ILE 274 Cb 0.15 0.86 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 1pww h ILE 274 CO -0.16 0.00 0.61 0.50 0.00 0.00 0.00 178.15 179.10 1pww h LYS 275 N -0.14 1.00 0.38 2.37 3.64 -0.17 -1.28 116.57 122.37 1pww h LYS 275 Ca 0.00 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1pww h LYS 275 Cb 0.13 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1pww h LYS 275 CO -0.02 0.66 -0.18 0.37 -2.27 0.00 0.00 179.45 178.01 1pww h GLN 276 N 1.03 -0.49 -1.02 1.90 4.15 0.49 -1.34 115.11 119.84 1pww h GLN 276 Ca 0.46 0.03 0.25 0.00 0.77 0.00 0.00 58.65 60.16 1pww h GLN 276 Cb 0.36 0.11 -0.11 0.00 0.21 0.00 0.00 27.48 28.05 1pww h GLN 276 CO -0.23 -0.19 0.62 1.25 -1.93 0.00 0.00 178.83 178.35 1pww h HIS 277 N -0.79 0.90 -0.60 3.99 2.76 0.56 0.36 115.15 122.33 1pww h HIS 277 Ca -0.05 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1pww h HIS 277 Cb 0.53 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1pww h HIS 277 CO 0.01 0.09 0.00 0.66 -1.30 0.00 0.00 177.93 177.39 1pww n TYR 278 N -4.78 0.80 -0.01 5.26 4.02 -0.55 -4.58 117.16 117.32 1pww n TYR 278 Ca 0.26 -0.40 -0.09 0.00 -0.01 0.00 0.00 57.90 57.66 1pww n TYR 278 Cb 0.77 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.06 1pww n TYR 278 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1pww h GLN 279 N 3.52 -0.28 -0.23 -0.72 5.75 0.92 -0.01 115.11 124.05 1pww h GLN 279 Ca 0.00 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1pww h GLN 279 Cb 0.80 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.41 1pww h GLN 279 CO 0.00 -0.18 0.15 1.25 -2.65 0.00 0.00 178.83 177.39 1pww h HIS 280 N -0.29 0.30 -0.60 3.99 2.76 -1.81 -1.77 115.15 117.74 1pww h HIS 280 Ca 0.11 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.40 1pww h HIS 280 Cb 0.46 -0.10 -0.10 0.00 1.55 0.00 0.00 27.41 29.22 1pww h HIS 280 CO -0.36 0.21 0.04 2.35 -1.30 0.00 0.00 177.93 178.88 1pww h TRP 281 N 0.30 0.04 0.17 5.26 7.01 -1.70 -1.93 115.95 125.10 1pww h TRP 281 Ca 0.09 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 1pww h TRP 281 Cb -0.01 0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 1pww h TRP 281 CO -0.05 -0.12 -0.08 0.77 -2.79 0.00 0.00 178.44 176.16 1pww h SER 282 N 0.16 -0.20 -0.64 2.65 0.02 -0.80 -2.73 113.55 112.00 1pww h SER 282 Ca 0.31 -0.28 0.19 0.00 -0.84 0.00 0.00 61.79 61.17 1pww h SER 282 Cb 0.49 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 1pww h SER 282 CO -0.48 0.20 0.52 0.44 -1.14 0.00 0.00 176.83 176.36 1pww h ASP 283 N -0.63 0.00 1.60 3.07 3.32 -1.10 0.22 116.42 122.91 1pww h ASP 283 Ca -0.02 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1pww h ASP 283 Cb 0.46 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1pww h ASP 283 CO 0.04 0.00 -0.41 0.28 -1.72 0.00 0.00 179.24 177.43 1pww h SER 284 N 0.00 0.00 -2.42 6.45 0.02 -1.28 -3.47 113.55 112.86 1pww h SER 284 Ca 0.31 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.65 1pww h SER 284 Cb 1.33 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.97 1pww h SER 284 CO -0.00 0.15 0.25 0.18 -1.14 0.00 0.00 176.83 176.27 1pww n LEU 285 N -3.03 2.00 0.00 5.07 4.77 0.77 -4.99 117.00 121.60 1pww n LEU 285 Ca 0.02 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 1pww n LEU 285 Cb 0.60 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1pww n LEU 285 CO 0.37 -1.20 0.00 -1.54 -1.33 0.00 0.00 177.39 173.69 1pww n SER 286 N 1.51 0.00 0.02 -1.43 3.41 -1.26 -4.91 113.62 110.96 1pww n SER 286 Ca 0.11 -0.05 -0.22 0.00 -0.26 0.00 0.00 58.87 58.45 1pww n SER 286 Cb 0.30 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.11 1pww n SER 286 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1pww h GLU 287 N 0.00 0.28 -0.77 4.33 4.81 -1.98 -3.07 114.58 118.17 1pww h GLU 287 Ca 0.00 -0.48 0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1pww h GLU 287 Cb 0.00 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1pww h GLU 287 CO 0.00 1.23 0.51 1.49 -0.73 0.00 0.00 179.01 181.51 1pww h GLU 288 N -0.13 1.02 0.02 1.92 4.22 -1.97 0.55 114.58 120.20 1pww h GLU 288 Ca -0.35 -0.06 0.02 0.00 0.08 0.00 0.00 59.36 59.05 1pww h GLU 288 Cb 1.90 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.87 1pww h GLU 288 CO 0.09 0.68 -0.48 0.78 -2.18 0.00 0.00 179.01 177.90 1pww h GLY 289 N 1.05 -1.16 2.00 1.92 0.00 -1.93 0.40 103.07 105.35 1pww h GLY 289 Ca 0.28 0.65 -0.01 0.00 0.00 0.00 0.00 47.33 48.26 1pww h GLY 289 CO -0.06 -0.27 -0.04 3.21 0.00 0.00 0.00 176.54 179.37 1pww h ARG 290 N -0.61 0.00 0.24 4.80 3.08 -1.29 -1.99 114.38 118.61 1pww h ARG 290 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1pww h ARG 290 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1pww h ARG 290 CO -0.31 0.04 -0.11 0.78 -1.07 0.00 0.00 179.97 179.30 1pww h GLY 291 N 0.41 -0.33 0.72 0.04 0.00 0.30 -1.93 103.07 102.29 1pww h GLY 291 Ca -0.00 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.46 1pww h GLY 291 CO 0.01 -0.12 -0.19 1.41 0.00 0.00 0.00 176.54 177.64 1pww h LEU 292 N -0.64 -0.53 -2.14 3.11 3.38 0.13 -1.70 115.31 116.92 1pww h LEU 292 Ca -0.03 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1pww h LEU 292 Cb 0.46 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1pww h LEU 292 CO 0.05 -0.28 0.06 -0.07 0.09 0.00 0.00 178.44 178.29 1pww h LEU 293 N -0.40 0.00 -0.06 1.67 3.38 -1.44 -1.53 115.31 116.94 1pww h LEU 293 Ca 0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 1pww h LEU 293 Cb 0.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1pww h LEU 293 CO -0.07 0.00 -0.64 0.50 0.09 0.00 0.00 178.44 178.32 1pww h LYS 294 N 0.00 0.53 -0.35 1.13 1.63 -0.50 -3.20 116.57 115.81 1pww h LYS 294 Ca 0.03 -0.49 -0.16 0.00 -0.85 0.00 0.00 60.65 59.18 1pww h LYS 294 Cb 0.15 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1pww h LYS 294 CO -0.00 1.13 -0.41 1.57 -3.45 0.00 0.00 179.45 178.28 1pww h LYS 295 N 0.11 0.89 0.00 1.90 2.10 -1.03 -2.11 116.57 118.44 1pww h LYS 295 Ca -0.06 -0.48 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 1pww h LYS 295 Cb 1.31 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1pww h LYS 295 CO 0.13 1.13 0.00 -0.11 -2.00 0.00 0.00 179.45 178.60 1pww n LEU 296 N -4.04 0.00 0.00 7.07 -0.00 -0.60 0.39 117.00 119.81 1pww n LEU 296 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1pww n LEU 296 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1pww n LEU 296 CO 0.49 0.00 -0.32 1.67 -0.00 0.00 0.00 177.39 179.23 1pww n GLN 297 N -0.66 2.05 -3.59 1.96 7.27 -0.81 -4.84 117.38 118.76 1pww n GLN 297 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.92 1pww n GLN 297 Cb 0.00 -0.80 -0.13 0.00 2.41 0.00 0.00 30.24 31.72 1pww n GLN 297 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 1pww s ILE 298 N -1.37 -0.38 0.45 1.69 -5.25 0.16 -5.12 121.20 111.38 1pww s ILE 298 Ca 0.00 0.15 -0.23 0.00 -0.99 0.00 0.00 60.65 59.58 1pww s ILE 298 Cb 0.00 -0.52 -0.08 0.00 2.95 0.00 0.00 42.46 44.82 1pww s ILE 298 CO 0.00 0.01 1.14 -2.84 -1.79 0.00 0.00 174.94 171.46 1pww s PRO 299 N 2.39 3.82 -0.39 0.37 0.02 -1.24 -4.46 135.00 135.50 1pww s PRO 299 Ca 0.04 1.72 -0.25 0.00 0.02 0.00 0.00 61.00 62.53 1pww s PRO 299 Cb -0.13 -2.41 0.02 0.00 0.02 0.00 0.00 34.50 31.99 1pww s PRO 299 CO -0.10 -0.49 0.87 0.42 -0.33 0.00 0.00 177.00 177.37 1pww s ILE 300 N -1.58 4.62 0.54 2.83 1.01 -0.83 -4.83 121.20 122.97 1pww s ILE 300 Ca 0.63 0.96 -0.18 0.00 0.00 0.00 0.00 60.65 62.05 1pww s ILE 300 Cb -0.27 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 37.83 1pww s ILE 300 CO 0.33 -0.57 1.07 -0.70 0.00 0.00 0.00 174.94 175.07 1pww s GLU 301 N 3.39 3.49 0.31 2.79 2.56 -1.26 -1.01 118.70 128.96 1pww s GLU 301 Ca 0.35 1.37 -0.29 0.00 0.00 0.00 0.00 54.97 56.40 1pww s GLU 301 Cb -0.12 -2.05 -0.10 0.00 2.00 0.00 0.00 34.13 33.87 1pww s GLU 301 CO 0.20 -0.70 1.20 -2.14 -0.56 0.00 0.00 175.26 173.26 1pww s PRO 302 N -3.57 4.46 -0.24 4.30 0.02 -1.26 -4.92 135.00 133.79 1pww s PRO 302 Ca 0.67 2.00 -0.18 0.00 0.02 0.00 0.00 61.00 63.52 1pww s PRO 302 Cb -0.18 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.21 1pww s PRO 302 CO 0.28 -0.01 0.51 0.15 -0.33 0.00 0.00 177.00 177.60 1pww s LYS 303 N -1.67 4.10 0.32 5.54 -0.14 -1.26 -4.94 119.74 121.69 1pww s LYS 303 Ca 0.47 0.33 0.04 0.00 -1.36 0.00 0.00 55.97 55.46 1pww s LYS 303 Cb -0.36 -3.62 0.83 0.00 -1.68 0.00 0.00 37.83 33.00 1pww s LYS 303 CO 0.46 -0.28 1.57 1.57 -0.76 0.00 0.00 175.35 177.91 1pww h LYS 304 N 7.84 0.00 -0.69 1.68 2.10 -2.00 -0.04 116.57 125.47 1pww h LYS 304 Ca -0.31 -0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.49 1pww h LYS 304 Cb 1.15 -0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.36 1pww h LYS 304 CO 0.72 0.00 0.01 -0.44 -2.00 0.00 0.00 179.45 177.75 1pww h ASP 305 N 0.00 -0.29 -0.16 7.07 5.19 -2.01 -1.71 116.42 124.52 1pww h ASP 305 Ca 0.63 0.17 -0.05 0.00 -0.62 0.00 0.00 57.03 57.17 1pww h ASP 305 Cb 1.35 0.30 -0.00 0.00 0.18 0.00 0.00 39.33 41.16 1pww h ASP 305 CO -0.92 -0.14 -0.09 0.44 -3.12 0.00 0.00 179.24 175.42 1pww h ASP 306 N 0.12 0.35 -0.27 6.45 5.19 -1.42 -2.59 116.42 124.26 1pww h ASP 306 Ca 0.37 -0.42 0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1pww h ASP 306 Cb 0.62 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.99 1pww h ASP 306 CO -0.59 0.69 -0.34 0.40 -3.12 0.00 0.00 179.24 176.28 1pww h ILE 307 N -0.00 0.00 -0.46 0.35 1.08 -1.13 -1.38 117.51 115.97 1pww h ILE 307 Ca 0.03 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.60 1pww h ILE 307 Cb 0.57 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.22 1pww h ILE 307 CO 0.02 0.00 -0.21 0.40 -0.69 0.00 0.00 178.15 177.68 1pww h ILE 308 N -0.23 0.38 -1.06 -0.67 1.08 -1.40 -1.92 117.51 113.69 1pww h ILE 308 Ca 0.05 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.80 1pww h ILE 308 Cb 0.35 0.38 -0.11 0.00 -3.07 0.00 0.00 36.82 34.37 1pww h ILE 308 CO -0.37 0.00 0.66 -0.74 -0.69 0.00 0.00 178.15 177.01 1pww h HIS 309 N -0.11 0.77 -0.01 1.37 2.76 -0.86 0.36 115.15 119.43 1pww h HIS 309 Ca 0.22 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1pww h HIS 309 Cb 0.45 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1pww h HIS 309 CO -0.47 0.01 -0.09 -1.13 -1.30 0.00 0.00 177.93 174.95 1pww n SER 310 N -4.75 0.81 -3.05 3.26 3.41 -0.70 -4.90 113.62 107.70 1pww n SER 310 Ca 0.28 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.92 1pww n SER 310 Cb 0.92 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 1pww n SER 310 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pww n LEU 311 N -0.57 0.00 -3.88 1.04 4.77 0.11 -5.12 117.00 113.35 1pww n LEU 311 Ca 0.17 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 1pww n LEU 311 Cb 0.29 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 1pww n LEU 311 CO 0.21 -0.30 -0.12 -0.44 -1.33 0.00 0.00 177.39 175.42 1pww s SER 312 N -1.29 0.15 0.21 -1.43 0.01 -1.26 -4.99 113.70 105.09 1pww s SER 312 Ca 0.00 -0.69 -0.10 0.00 1.31 0.00 0.00 55.95 56.46 1pww s SER 312 Cb 0.00 0.33 0.17 0.00 0.21 0.00 0.00 66.02 66.73 1pww s SER 312 CO 0.00 -0.72 1.86 -0.61 0.41 0.00 0.00 173.24 174.18 1pww h GLN 313 N 2.78 0.87 -0.00 12.44 4.15 -1.99 1.36 115.11 134.72 1pww h GLN 313 Ca -0.34 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.04 1pww h GLN 313 Cb 1.19 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.67 1pww h GLN 313 CO 0.57 0.58 -0.21 0.93 -1.93 0.00 0.00 178.83 178.76 1pww h GLU 314 N 0.90 -0.26 -0.02 1.69 5.08 -2.00 -0.35 114.58 119.62 1pww h GLU 314 Ca 0.27 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1pww h GLU 314 Cb -0.03 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1pww h GLU 314 CO -0.09 -0.17 0.01 0.93 -1.00 0.00 0.00 179.01 178.69 1pww h GLU 315 N -0.27 0.03 0.00 2.33 5.08 -1.78 -2.66 114.58 117.31 1pww h GLU 315 Ca 0.00 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1pww h GLU 315 Cb 0.29 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1pww h GLU 315 CO -0.14 0.03 -0.55 -0.22 -1.00 0.00 0.00 179.01 177.13 1pww h LYS 316 N 0.03 0.00 0.16 2.33 1.63 0.23 -2.29 116.57 118.66 1pww h LYS 316 Ca 0.01 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.52 1pww h LYS 316 Cb 0.01 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.65 1pww h LYS 316 CO -0.00 0.55 -1.33 1.49 -3.45 0.00 0.00 179.45 176.71 1pww h GLU 317 N 0.00 0.33 -0.68 1.90 4.57 -0.85 -3.00 114.58 116.85 1pww h GLU 317 Ca -0.01 -0.57 -0.02 0.00 -1.18 0.00 0.00 59.36 57.59 1pww h GLU 317 Cb 1.40 0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 30.17 1pww h GLU 317 CO 0.07 1.26 0.36 -0.07 -1.18 0.00 0.00 179.01 179.46 1pww h LEU 318 N 0.09 0.85 -2.33 1.64 3.38 -1.51 -1.60 115.31 115.83 1pww h LEU 318 Ca -0.18 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.75 1pww h LEU 318 Cb 2.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.56 1pww h LEU 318 CO 0.22 0.69 0.10 0.25 0.09 0.00 0.00 178.44 179.79 1pww h LEU 319 N 0.95 0.00 0.00 1.67 5.85 -1.26 1.09 115.31 123.61 1pww h LEU 319 Ca 0.24 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.66 1pww h LEU 319 Cb 0.04 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1pww h LEU 319 CO -0.04 0.00 -1.62 1.17 -0.34 0.00 0.00 178.44 177.62 1pww n LYS 320 N -3.85 0.57 0.31 1.25 3.00 -0.67 -4.11 118.16 114.66 1pww n LYS 320 Ca -0.01 0.49 0.20 0.00 -0.00 0.00 0.00 58.31 59.00 1pww n LYS 320 Cb 0.21 -1.68 0.98 0.00 0.00 0.00 0.00 35.03 34.54 1pww n LYS 320 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pww h ARG 321 N -1.00 0.00 -6.47 1.64 -0.00 -1.14 -3.43 114.38 103.98 1pww h ARG 321 Ca -0.45 0.00 -0.54 0.00 -0.50 0.00 0.00 59.98 58.50 1pww h ARG 321 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.37 1pww h ARG 321 CO -0.27 0.01 0.60 -1.50 0.00 0.00 0.00 179.97 178.80 1pww s ILE 322 N -3.96 3.97 -1.29 2.04 2.07 0.37 -4.93 121.20 119.47 1pww s ILE 322 Ca -0.02 1.41 -0.08 0.00 -1.41 0.00 0.00 60.65 60.54 1pww s ILE 322 Cb 0.11 -3.90 0.15 0.00 0.13 0.00 0.00 42.46 38.96 1pww s ILE 322 CO 0.47 0.10 2.01 0.00 -1.91 0.00 0.00 174.94 175.61 1pww n GLN 323 N 4.08 3.85 -0.16 3.50 6.02 -1.26 -4.84 117.38 128.58 1pww n GLN 323 Ca 0.09 -3.49 0.11 0.00 -0.01 0.00 0.00 57.00 53.70 1pww n GLN 323 Cb 0.46 -2.85 0.20 0.00 1.02 0.00 0.00 30.24 29.07 1pww n GLN 323 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1pww n ILE 324 N 2.95 -0.20 0.10 5.09 2.08 -1.26 0.35 119.36 128.47 1pww n ILE 324 Ca 0.45 0.99 0.01 0.00 0.56 0.00 0.00 62.75 64.77 1pww n ILE 324 Cb 0.33 -1.52 0.35 0.00 -0.75 0.00 0.00 39.64 38.06 1pww n ILE 324 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 1pww h ASP 325 N 0.00 0.27 0.01 4.38 1.82 -1.92 -2.86 116.42 118.12 1pww h ASP 325 Ca 0.34 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.91 1pww h ASP 325 Cb 0.80 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.74 1pww h ASP 325 CO -0.40 0.45 0.00 -1.20 -1.61 0.00 0.00 179.24 176.47 1pww n SER 326 N -4.24 0.08 -4.88 2.28 7.64 1.09 -4.69 113.62 110.90 1pww n SER 326 Ca -0.00 0.54 -0.30 0.00 1.01 0.00 0.00 58.87 60.11 1pww n SER 326 Cb 0.29 -0.55 -0.04 0.00 -1.01 0.00 0.00 64.21 62.91 1pww n SER 326 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1pww s SER 327 N -3.15 6.54 -0.44 6.43 1.04 -1.08 -4.72 113.70 118.32 1pww s SER 327 Ca -0.00 1.08 0.09 0.00 0.48 0.00 0.00 55.95 57.59 1pww s SER 327 Cb 0.01 -2.30 0.30 0.00 0.10 0.00 0.00 66.02 64.13 1pww s SER 327 CO 0.03 -0.33 0.68 -0.67 0.98 0.00 0.00 173.24 173.93 1pww n ASP 328 N -1.09 1.41 0.00 7.02 -0.08 -1.26 -4.62 116.55 117.93 1pww n ASP 328 Ca 0.02 -3.03 0.00 0.00 -1.51 0.00 0.00 54.79 50.27 1pww n ASP 328 Cb 0.54 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 43.37 1pww n ASP 328 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1pww n PHE 329 N 0.70 0.00 -4.76 -0.67 1.16 -1.26 -5.10 117.46 107.52 1pww n PHE 329 Ca 0.25 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.50 1pww n PHE 329 Cb 0.55 0.10 -0.13 0.00 -1.61 0.00 0.00 39.48 38.38 1pww n PHE 329 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1pww s LEU 330 N 0.00 2.84 0.44 5.98 1.43 -1.26 -5.12 118.68 122.99 1pww s LEU 330 Ca 0.00 -0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 52.70 1pww s LEU 330 Cb 0.00 -1.62 -0.09 0.00 0.03 0.00 0.00 46.19 44.51 1pww s LEU 330 CO 0.00 0.26 0.92 -0.94 0.23 0.00 0.00 176.35 176.82 1pww s SER 331 N -0.20 6.79 0.40 2.29 1.04 -1.26 -4.75 113.70 118.01 1pww s SER 331 Ca 0.01 1.55 0.16 0.00 0.48 0.00 0.00 55.95 58.15 1pww s SER 331 Cb -0.13 -2.49 1.04 0.00 0.10 0.00 0.00 66.02 64.54 1pww s SER 331 CO 0.03 -0.41 1.84 0.74 0.98 0.00 0.00 173.24 176.42 1pww h THR 332 N 1.55 0.67 0.23 2.02 2.02 -1.99 1.65 112.91 119.05 1pww h THR 332 Ca -0.48 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1pww h THR 332 Cb 1.18 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1pww h THR 332 CO 0.62 0.08 -0.11 -0.08 0.37 0.00 0.00 175.52 176.40 1pww h GLU 333 N 0.46 -0.30 -0.07 6.66 4.57 -1.99 0.10 114.58 124.01 1pww h GLU 333 Ca 0.50 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.70 1pww h GLU 333 Cb 1.17 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1pww h GLU 333 CO -0.21 0.02 0.02 0.93 -1.18 0.00 0.00 179.01 178.59 1pww h GLU 334 N -0.64 0.05 -0.88 1.92 5.08 -1.18 -1.41 114.58 117.51 1pww h GLU 334 Ca -0.03 -0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.51 1pww h GLU 334 Cb 0.46 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 1pww h GLU 334 CO 0.05 0.03 0.58 0.87 -1.00 0.00 0.00 179.01 179.55 1pww h LYS 335 N 0.05 0.43 0.77 2.33 1.57 0.23 -1.35 116.57 120.59 1pww h LYS 335 Ca 0.03 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1pww h LYS 335 Cb 0.02 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1pww h LYS 335 CO -0.04 0.28 -0.43 1.49 -0.57 0.00 0.00 179.45 180.19 1pww h GLU 336 N 0.44 -1.06 -0.77 3.15 4.57 0.33 -1.18 114.58 120.07 1pww h GLU 336 Ca 0.45 0.07 0.15 0.00 -1.18 0.00 0.00 59.36 58.86 1pww h GLU 336 Cb 1.07 0.24 -0.10 0.00 -0.16 0.00 0.00 28.75 29.80 1pww h GLU 336 CO -0.17 -0.71 0.29 0.35 -1.18 0.00 0.00 179.01 177.58 1pww h PHE 337 N -1.10 0.48 -0.16 0.92 3.57 -1.18 0.15 116.94 119.62 1pww h PHE 337 Ca -0.10 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.48 1pww h PHE 337 Cb 0.87 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1pww h PHE 337 CO -0.03 0.02 0.12 -0.07 -2.23 0.00 0.00 178.31 176.12 1pww h LEU 338 N 0.41 0.00 0.00 0.59 3.38 -0.97 -2.12 115.31 116.60 1pww h LEU 338 Ca 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 1pww h LEU 338 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1pww h LEU 338 CO -0.44 0.00 -0.06 0.50 0.09 0.00 0.00 178.44 178.54 1pww h LYS 339 N 0.00 0.04 -0.16 1.13 1.63 0.53 -3.22 116.57 116.52 1pww h LYS 339 Ca 0.08 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.88 1pww h LYS 339 Cb 0.31 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 1pww h LYS 339 CO -0.00 0.83 0.43 0.87 -3.45 0.00 0.00 179.45 178.12 1pww h LYS 340 N -0.73 0.00 0.00 1.90 1.57 -0.72 0.60 116.57 119.19 1pww h LYS 340 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1pww h LYS 340 Cb 0.85 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 1pww h LYS 340 CO 0.01 0.00 -0.12 -0.07 -0.57 0.00 0.00 179.45 178.70 1pww h LEU 341 N 0.00 0.00 0.05 2.94 3.38 -1.46 -2.09 115.31 118.13 1pww h LEU 341 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1pww h LEU 341 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1pww h LEU 341 CO -0.00 0.12 -0.02 1.56 0.09 0.00 0.00 178.44 180.19 1pww h GLN 342 N 0.00 -0.06 -0.33 1.13 4.20 0.07 -3.22 115.11 116.90 1pww h GLN 342 Ca -0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.77 1pww h GLN 342 Cb 0.78 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.53 1pww h GLN 342 CO 0.02 0.54 0.04 0.97 -0.67 0.00 0.00 178.83 179.73 1pww h ILE 343 N -0.91 0.81 -0.60 2.54 -0.00 -1.54 -1.63 117.51 116.19 1pww h ILE 343 Ca -0.01 -0.05 0.13 0.00 -0.00 0.00 0.00 64.86 64.93 1pww h ILE 343 Cb 0.63 0.64 -0.03 0.00 -0.00 0.00 0.00 36.82 38.06 1pww h ILE 343 CO 0.01 0.03 0.41 0.44 -0.00 0.00 0.00 178.15 179.04 1pww h ASP 344 N 0.15 0.23 0.00 2.19 3.32 -1.51 -3.52 116.42 117.28 1pww h ASP 344 Ca 0.16 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1pww h ASP 344 Cb 0.19 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1pww h ASP 344 CO -0.23 0.13 0.00 -0.38 -1.72 0.00 0.00 179.24 177.04 1pww n ILE 345 N -4.44 0.05 -1.04 0.35 2.08 -0.62 -5.11 119.36 110.63 1pww n ILE 345 Ca 0.11 0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.43 1pww n ILE 345 Cb 0.49 -0.31 0.00 0.00 -0.75 0.00 0.00 39.64 39.07 1pww n ILE 345 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1pww n LEU 368 N -2.67 0.00 0.00 1.39 4.77 -1.26 -4.95 117.00 114.28 1pww n LEU 368 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1pww n LEU 368 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1pww n LEU 368 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.52 1pww n SER 369 N 0.00 1.08 0.00 -1.43 3.41 -1.26 -4.88 113.62 110.55 1pww n SER 369 Ca 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 1pww n SER 369 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pww n SER 369 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1pww n GLU 370 N -0.14 0.00 -0.32 4.33 4.07 -1.26 -0.39 120.64 126.93 1pww n GLU 370 Ca 0.00 0.09 0.21 0.00 -0.06 0.00 0.00 57.16 57.40 1pww n GLU 370 Cb 0.00 -0.72 0.41 0.00 -0.06 0.00 0.00 31.44 31.07 1pww n GLU 370 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 1pww h LYS 371 N 0.00 0.11 0.04 5.31 2.10 -1.99 -0.05 116.57 122.09 1pww h LYS 371 Ca 0.00 -0.01 0.03 0.00 -2.00 0.00 0.00 60.65 58.67 1pww h LYS 371 Cb 0.00 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 31.26 1pww h LYS 371 CO 0.00 0.08 -0.27 0.93 -2.00 0.00 0.00 179.45 178.19 1pww h GLU 372 N 0.12 -0.41 -0.01 0.07 4.39 -1.93 -2.03 114.58 114.78 1pww h GLU 372 Ca 0.68 0.03 -0.10 0.00 0.34 0.00 0.00 59.36 60.31 1pww h GLU 372 Cb 1.56 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.29 1pww h GLU 372 CO -0.75 -0.28 -0.49 0.87 -1.16 0.00 0.00 179.01 177.21 1pww h LYS 373 N -0.43 0.01 -0.41 2.33 1.79 0.11 -2.47 116.57 117.51 1pww h LYS 373 Ca 0.05 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1pww h LYS 373 Cb 0.50 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1pww h LYS 373 CO -0.21 0.50 0.26 1.49 -1.08 0.00 0.00 179.45 180.42 1pww h GLU 374 N 0.01 0.55 0.63 3.15 4.22 -0.86 -2.12 114.58 120.16 1pww h GLU 374 Ca -0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.37 1pww h GLU 374 Cb 0.87 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.00 1pww h GLU 374 CO 0.06 0.37 -0.30 0.35 -2.18 0.00 0.00 179.01 177.31 1pww h PHE 375 N 0.56 -0.79 0.00 0.92 3.57 -0.90 -2.88 116.94 117.43 1pww h PHE 375 Ca 0.15 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1pww h PHE 375 Cb -0.05 0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1pww h PHE 375 CO 0.00 -0.45 0.00 1.28 -2.23 0.00 0.00 178.31 176.92 1pww n LEU 376 N -5.40 0.00 0.11 0.59 4.77 -0.86 -0.77 117.00 115.45 1pww n LEU 376 Ca -0.12 0.50 0.04 0.00 -0.03 0.00 0.00 56.01 56.39 1pww n LEU 376 Cb 0.36 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1pww n LEU 376 CO 0.34 -0.50 0.22 0.11 -1.33 0.00 0.00 177.39 176.23 1pww h LYS 377 N 0.00 0.00 0.06 3.23 1.57 -1.17 -3.14 116.57 117.11 1pww h LYS 377 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1pww h LYS 377 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1pww h LYS 377 CO 0.00 0.31 -0.89 0.87 -0.57 0.00 0.00 179.45 179.17 1pww h LYS 378 N 0.00 0.12 -0.22 3.15 1.57 -0.97 -3.31 116.57 116.91 1pww h LYS 378 Ca -0.05 -0.20 0.06 0.00 -1.87 0.00 0.00 60.65 58.59 1pww h LYS 378 Cb 1.35 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 1pww h LYS 378 CO 0.04 1.10 0.20 -0.07 -0.57 0.00 0.00 179.45 180.15 1pww h LEU 379 N -0.69 0.00 -0.31 2.94 3.38 -1.62 0.67 115.31 119.68 1pww h LEU 379 Ca -0.21 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1pww h LEU 379 Cb 1.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1pww h LEU 379 CO -0.01 0.00 0.08 0.50 0.09 0.00 0.00 178.44 179.10 1pww h LYS 380 N 0.00 0.50 -0.16 1.13 3.64 -1.64 0.29 116.57 120.33 1pww h LYS 380 Ca 0.10 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1pww h LYS 380 Cb 0.50 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1pww h LYS 380 CO -0.00 0.56 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.40 1pww h LEU 381 N 0.35 0.30 0.20 5.20 3.38 -1.01 -3.24 115.31 120.49 1pww h LEU 381 Ca 0.10 -0.10 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1pww h LEU 381 Cb 0.28 -0.08 0.04 0.00 0.09 0.00 0.00 40.66 40.99 1pww h LEU 381 CO 0.00 0.57 -1.39 0.44 0.09 0.00 0.00 178.44 178.15 1pww h ASP 382 N 0.27 0.87 0.00 -0.43 3.32 -0.88 -3.32 116.42 116.25 1pww h ASP 382 Ca 0.04 -0.88 0.00 0.00 0.02 0.00 0.00 57.03 56.21 1pww h ASP 382 Cb 0.62 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1pww h ASP 382 CO 0.04 1.68 0.00 2.30 -1.72 0.00 0.00 179.24 181.54 1pww n ILE 383 N -3.75 0.37 -3.57 0.35 -5.35 1.00 -4.85 119.36 103.56 1pww n ILE 383 Ca -0.16 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 61.96 1pww n ILE 383 Cb 1.06 -0.68 -0.07 0.00 -1.74 0.00 0.00 39.64 38.21 1pww n ILE 383 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1pww s GLN 384 N -0.61 4.18 0.60 6.28 -1.52 -1.25 -4.80 119.66 122.55 1pww s GLN 384 Ca 0.00 0.08 -0.18 0.00 -1.95 0.00 0.00 55.36 53.31 1pww s GLN 384 Cb 0.00 -3.40 -0.06 0.00 -0.22 0.00 0.00 33.01 29.33 1pww s GLN 384 CO 0.00 0.30 0.74 -2.30 -0.25 0.00 0.00 175.29 173.78 1pww n PRO 385 N 3.37 0.65 -2.93 2.91 -0.02 -1.26 -4.69 135.00 133.03 1pww n PRO 385 Ca -0.13 0.26 -0.43 0.00 -2.02 0.00 0.00 63.50 61.18 1pww n PRO 385 Cb 0.52 -1.94 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 1pww n PRO 385 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1pww s TYR 386 N -1.65 2.80 -0.27 6.00 5.04 -0.18 -4.92 117.35 124.17 1pww s TYR 386 Ca 0.72 -0.48 0.01 0.00 -2.44 0.00 0.00 57.07 54.88 1pww s TYR 386 Cb -0.42 -4.09 0.08 0.00 0.35 0.00 0.00 41.96 37.87 1pww s TYR 386 CO 0.51 -1.44 0.01 0.34 -1.34 0.00 0.00 175.55 173.62 1pww s ASP 387 N 3.34 4.06 0.15 4.32 -1.08 -1.26 -1.96 116.67 124.23 1pww s ASP 387 Ca 0.21 -1.48 -0.15 0.00 -0.52 0.00 0.00 52.55 50.62 1pww s ASP 387 Cb -0.17 -1.18 0.02 0.00 -1.46 0.00 0.00 42.92 40.13 1pww s ASP 387 CO 0.12 -0.31 1.70 0.40 0.52 0.00 0.00 175.17 177.60 1pww h ILE 388 N 6.61 1.20 -0.02 4.11 2.04 -1.92 -2.39 117.51 127.15 1pww h ILE 388 Ca -0.14 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.03 1pww h ILE 388 Cb 1.05 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1pww h ILE 388 CO 0.45 0.23 -0.32 0.78 0.00 0.00 0.00 178.15 179.29 1pww h ASN 389 N 0.61 0.03 -0.27 1.72 2.35 -1.95 -2.47 115.58 115.59 1pww h ASN 389 Ca 0.16 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 1pww h ASN 389 Cb 0.18 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1pww h ASN 389 CO -0.01 0.35 -0.08 -0.61 -1.65 0.00 0.00 177.43 175.42 1pww h GLN 390 N 0.03 0.54 -0.99 0.81 5.75 -1.93 -2.27 115.11 117.04 1pww h GLN 390 Ca 0.00 -0.21 0.02 0.00 -0.15 0.00 0.00 58.65 58.31 1pww h GLN 390 Cb 0.58 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.05 1pww h GLN 390 CO 0.04 0.75 0.65 -0.09 -2.65 0.00 0.00 178.83 177.54 1pww h ARG 391 N 0.29 1.26 -0.33 1.69 9.65 -1.11 0.14 114.38 125.97 1pww h ARG 391 Ca 0.07 -0.08 -0.12 0.00 -1.10 0.00 0.00 59.98 58.75 1pww h ARG 391 Cb 0.57 -0.28 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 1pww h ARG 391 CO 0.03 0.83 -0.30 -0.07 2.80 0.00 0.00 179.97 183.26 1pww h LEU 392 N 1.30 0.73 -0.12 3.80 3.38 -1.29 -2.39 115.31 120.72 1pww h LEU 392 Ca 0.38 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1pww h LEU 392 Cb -0.07 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1pww h LEU 392 CO -0.10 0.98 -0.14 -0.61 0.09 0.00 0.00 178.44 178.65 1pww h GLN 393 N 0.60 0.30 -0.52 1.13 4.15 -0.79 0.33 115.11 120.30 1pww h GLN 393 Ca 0.07 -0.17 0.07 0.00 0.77 0.00 0.00 58.65 59.39 1pww h GLN 393 Cb 0.81 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.48 1pww h GLN 393 CO 0.07 0.73 0.35 -0.44 -1.93 0.00 0.00 178.83 177.61 1pww h ASP 394 N -0.11 0.39 -0.02 -0.69 3.32 -0.71 -1.79 116.42 116.81 1pww h ASP 394 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1pww h ASP 394 Cb 0.69 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1pww h ASP 394 CO 0.03 0.25 -0.20 0.35 -1.72 0.00 0.00 179.24 177.95 1pww n THR 395 N -4.47 0.00 -2.57 0.35 -2.24 -0.91 -1.75 114.28 102.69 1pww n THR 395 Ca 0.07 -0.40 -0.19 0.00 -2.27 0.00 0.00 64.05 61.26 1pww n THR 395 Cb 0.27 1.30 -0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1pww n THR 395 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pww n GLY 396 N 1.16 -0.50 0.42 3.38 0.00 0.10 -1.16 105.19 108.59 1pww n GLY 396 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1pww n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pww n GLY 397 N -1.07 0.48 3.37 -0.02 0.00 -0.31 -4.86 105.19 102.78 1pww n GLY 397 Ca -0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 1pww n GLY 397 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pww n LEU 398 N 0.00 5.45 0.28 0.99 4.77 -0.31 -4.82 117.00 123.36 1pww n LEU 398 Ca 0.00 -4.59 0.15 0.00 -0.03 0.00 0.00 56.01 51.54 1pww n LEU 398 Cb 0.00 -1.57 0.78 0.00 -2.33 0.00 0.00 43.42 40.30 1pww n LEU 398 CO 0.00 0.92 1.00 0.16 -1.33 0.00 0.00 177.39 178.15 1pww h ILE 399 N 4.35 0.34 0.00 -0.08 3.07 -1.92 -2.58 117.51 120.69 1pww h ILE 399 Ca 0.30 -0.48 0.00 0.00 1.55 0.00 0.00 64.86 66.23 1pww h ILE 399 Cb 0.84 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.74 1pww h ILE 399 CO 1.25 0.08 0.00 0.47 -1.05 0.00 0.00 178.15 178.90 1pww n ASP 400 N -3.40 0.00 -4.68 2.16 9.92 -1.26 -4.83 116.55 114.46 1pww n ASP 400 Ca -0.01 -0.66 -0.49 0.00 -0.53 0.00 0.00 54.79 53.10 1pww n ASP 400 Cb 0.24 -0.09 -0.05 0.00 -0.64 0.00 0.00 41.12 40.58 1pww n ASP 400 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1pww n SER 401 N -1.09 3.23 -1.69 -2.24 7.64 -0.97 -4.81 113.62 113.68 1pww n SER 401 Ca 0.19 1.01 -0.02 0.00 1.01 0.00 0.00 58.87 61.06 1pww n SER 401 Cb 0.14 -1.36 -0.03 0.00 -1.01 0.00 0.00 64.21 61.95 1pww n SER 401 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1pww n PRO 402 N 5.71 0.99 0.00 1.43 -0.04 -1.26 -4.26 135.00 137.57 1pww n PRO 402 Ca 0.22 -0.17 0.13 0.00 -0.04 0.00 0.00 63.50 63.64 1pww n PRO 402 Cb 0.28 -1.26 0.44 0.00 -0.04 0.00 0.00 33.50 32.92 1pww n PRO 402 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1pww n SER 403 N 1.80 0.70 -4.13 3.54 3.41 -1.26 -4.85 113.62 112.83 1pww n SER 403 Ca 0.07 -0.60 -0.10 0.00 -0.26 0.00 0.00 58.87 57.99 1pww n SER 403 Cb 0.48 0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 1pww n SER 403 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1pww s ILE 404 N -2.61 0.10 0.17 -1.33 -0.00 -1.26 -4.95 121.20 111.32 1pww s ILE 404 Ca 0.23 -1.85 -0.33 0.00 -0.00 0.00 0.00 60.65 58.69 1pww s ILE 404 Cb 0.19 -2.01 -0.15 0.00 -0.00 0.00 0.00 42.46 40.48 1pww s ILE 404 CO 0.54 -0.45 1.27 0.59 -0.00 0.00 0.00 174.94 176.88 1pww n ASN 405 N -0.10 1.77 -0.31 4.36 3.02 -1.26 -4.75 115.26 117.98 1pww n ASN 405 Ca -0.06 1.13 0.16 0.00 -0.03 0.00 0.00 54.58 55.78 1pww n ASN 405 Cb 0.64 -1.26 0.33 0.00 -0.61 0.00 0.00 39.78 38.88 1pww n ASN 405 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1pww h LEU 406 N 3.92 0.05 0.88 3.41 5.85 -1.99 -1.98 115.31 125.45 1pww h LEU 406 Ca -0.44 0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1pww h LEU 406 Cb 1.32 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.62 1pww h LEU 406 CO 0.74 -0.19 -0.49 -2.24 -0.34 0.00 0.00 178.44 175.92 1pww h ASP 407 N 0.19 -1.21 -0.25 1.25 2.03 -2.00 -2.28 116.42 114.16 1pww h ASP 407 Ca 0.60 0.06 0.07 0.00 -0.73 0.00 0.00 57.03 57.03 1pww h ASP 407 Cb 1.27 0.34 -0.01 0.00 -0.83 0.00 0.00 39.33 40.10 1pww h ASP 407 CO -0.68 -0.78 0.19 0.58 -1.03 0.00 0.00 179.24 177.51 1pww h VAL 408 N -1.27 0.82 0.09 4.15 2.07 -1.81 -0.86 116.25 119.44 1pww h VAL 408 Ca -0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1pww h VAL 408 Cb 1.00 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1pww h VAL 408 CO 0.16 0.00 -0.05 -0.09 0.02 0.00 0.00 177.57 177.61 1pww h ARG 409 N 0.00 -0.12 -0.40 1.57 2.43 -1.21 -0.72 114.38 115.92 1pww h ARG 409 Ca 0.12 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 1pww h ARG 409 Cb 0.49 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 1pww h ARG 409 CO -0.00 0.19 0.10 -0.22 -1.51 0.00 0.00 179.97 178.53 1pww h LYS 410 N -0.44 0.24 -0.96 0.20 3.64 -0.70 -0.08 116.57 118.47 1pww h LYS 410 Ca -0.01 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1pww h LYS 410 Cb 0.37 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 1pww h LYS 410 CO 0.02 0.16 0.61 0.37 -2.27 0.00 0.00 179.45 178.34 1pww h GLN 411 N 0.24 0.95 -0.34 1.90 5.75 -1.07 -1.38 115.11 121.16 1pww h GLN 411 Ca 0.19 -0.06 -0.17 0.00 -0.15 0.00 0.00 58.65 58.46 1pww h GLN 411 Cb 0.21 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 28.54 1pww h GLN 411 CO -0.23 0.63 -0.46 1.88 -2.65 0.00 0.00 178.83 178.00 1pww h TYR 412 N 0.97 1.11 -0.54 3.99 -1.99 0.33 -3.09 116.97 117.76 1pww h TYR 412 Ca 0.45 -0.36 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 1pww h TYR 412 Cb 0.41 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.90 1pww h TYR 412 CO -0.00 1.20 0.31 -0.22 -0.00 0.00 0.00 178.16 179.44 1pww h LYS 413 N 0.71 0.74 0.37 4.88 3.64 -0.05 -1.69 116.57 125.18 1pww h LYS 413 Ca 0.04 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1pww h LYS 413 Cb 1.06 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1pww h LYS 413 CO 0.11 0.56 -0.18 0.00 -2.27 0.00 0.00 179.45 177.67 1pww h ARG 414 N 0.72 -0.48 -0.93 1.90 3.08 -1.37 0.16 114.38 117.46 1pww h ARG 414 Ca 0.19 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.37 1pww h ARG 414 Cb 0.02 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.11 1pww h ARG 414 CO -0.03 -0.31 0.60 -0.44 -1.07 0.00 0.00 179.97 178.71 1pww h ASP 415 N -0.51 0.86 0.03 7.04 3.32 -1.49 0.68 116.42 126.36 1pww h ASP 415 Ca -0.05 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1pww h ASP 415 Cb 0.39 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1pww h ASP 415 CO 0.08 0.51 -0.01 0.40 -1.72 0.00 0.00 179.24 178.50 1pww h ILE 416 N 0.95 1.35 -0.98 0.35 2.04 -0.97 0.14 117.51 120.38 1pww h ILE 416 Ca 0.43 -1.22 0.14 0.00 1.00 0.00 0.00 64.86 65.21 1pww h ILE 416 Cb 0.38 2.16 -0.09 0.00 -0.74 0.00 0.00 36.82 38.53 1pww h ILE 416 CO -0.19 0.31 0.62 1.56 0.00 0.00 0.00 178.15 180.45 1pww h GLN 417 N -0.58 0.86 0.30 2.37 4.20 -0.38 0.23 115.11 122.11 1pww h GLN 417 Ca -0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1pww h GLN 417 Cb 0.53 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1pww h GLN 417 CO 0.01 0.57 -0.14 -0.91 -0.67 0.00 0.00 178.83 177.68 1pww h ASN 418 N 0.89 -0.34 -0.33 1.46 2.35 -0.73 -2.68 115.58 116.19 1pww h ASN 418 Ca 0.51 -0.17 0.08 0.00 -0.55 0.00 0.00 56.30 56.17 1pww h ASN 418 Cb 0.63 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 1pww h ASN 418 CO -0.28 0.01 0.23 0.40 -1.65 0.00 0.00 177.43 176.14 1pww h ILE 419 N -0.72 0.89 -0.07 2.81 2.04 -0.44 0.16 117.51 122.17 1pww h ILE 419 Ca -0.04 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1pww h ILE 419 Cb 0.49 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1pww h ILE 419 CO 0.07 0.02 -0.11 0.44 0.00 0.00 0.00 178.15 178.56 1pww h ASP 420 N 0.11 0.10 0.55 1.72 3.32 -0.32 -1.13 116.42 120.77 1pww h ASP 420 Ca 0.15 -0.02 -0.29 0.00 0.02 0.00 0.00 57.03 56.90 1pww h ASP 420 Cb 0.48 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1pww h ASP 420 CO -0.02 0.23 -1.43 0.00 -1.72 0.00 0.00 179.24 176.30 1pww h ALA 421 N 1.78 0.29 -0.63 3.45 0.00 -0.41 -3.33 119.26 120.40 1pww h ALA 421 Ca 0.02 -1.07 -0.04 0.00 0.00 0.00 0.00 54.91 53.82 1pww h ALA 421 Cb 0.27 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1pww h ALA 421 CO 0.02 1.16 0.25 -0.07 0.00 0.00 0.00 179.25 180.60 1pww h LEU 422 N 0.06 0.88 -6.08 0.00 3.38 -0.92 -3.15 115.31 109.48 1pww h LEU 422 Ca -0.20 -0.18 -0.74 0.00 0.09 0.00 0.00 57.88 56.85 1pww h LEU 422 Cb 1.98 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 42.38 1pww h LEU 422 CO 0.16 0.82 2.37 0.18 0.09 0.00 0.00 178.44 182.05 1pww n LEU 423 N -4.42 7.21 -0.00 1.67 4.77 -0.46 -4.53 117.00 121.24 1pww n LEU 423 Ca 0.04 -4.65 0.08 0.00 -0.03 0.00 0.00 56.01 51.46 1pww n LEU 423 Cb 0.17 -1.47 -0.11 0.00 -2.33 0.00 0.00 43.42 39.69 1pww n LEU 423 CO 0.39 1.59 -0.23 0.00 -1.33 0.00 0.00 177.39 177.82 1pww n HIS 424 N 3.45 0.00 -3.55 -1.77 1.44 -1.19 -4.55 115.22 109.05 1pww n HIS 424 Ca 0.50 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.83 1pww n HIS 424 Cb 0.32 -0.12 -0.11 0.00 0.12 0.00 0.00 29.99 30.21 1pww n HIS 424 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1pww s GLN 425 N -2.80 3.97 0.49 -1.40 0.74 -1.26 -4.93 119.66 114.46 1pww s GLN 425 Ca 0.03 -0.24 -0.20 0.00 0.05 0.00 0.00 55.36 55.00 1pww s GLN 425 Cb 0.13 -3.65 -0.08 0.00 1.10 0.00 0.00 33.01 30.50 1pww s GLN 425 CO 0.72 -0.19 1.05 -1.54 -0.55 0.00 0.00 175.29 174.78 1pww s SER 426 N 1.70 6.27 0.55 6.67 1.04 -1.26 -2.24 113.70 126.44 1pww s SER 426 Ca 0.09 1.96 0.25 0.00 0.48 0.00 0.00 55.95 58.73 1pww s SER 426 Cb -0.16 -2.56 1.47 0.00 0.10 0.00 0.00 66.02 64.86 1pww s SER 426 CO 0.11 -0.83 2.06 -0.29 0.98 0.00 0.00 173.24 175.26 1pww h ILE 427 N 1.53 0.68 -1.13 -1.02 6.09 -1.08 -3.45 117.51 119.14 1pww h ILE 427 Ca -0.50 0.00 -0.79 0.00 -1.37 0.00 0.00 64.86 62.20 1pww h ILE 427 Cb 1.23 0.82 0.00 0.00 0.47 0.00 0.00 36.82 39.34 1pww h ILE 427 CO 0.59 0.00 0.90 0.61 -3.07 0.00 0.00 178.15 177.18 1pww n GLY 428 N -1.54 0.46 3.27 8.18 0.00 -0.82 -4.94 105.19 109.81 1pww n GLY 428 Ca 0.04 0.98 -0.10 0.00 0.00 0.00 0.00 46.02 46.95 1pww n GLY 428 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pww s SER 429 N 3.88 0.14 0.00 1.61 0.15 -1.26 -5.04 113.70 113.18 1pww s SER 429 Ca 1.04 -1.08 0.28 0.00 0.70 0.00 0.00 55.95 56.89 1pww s SER 429 Cb -1.27 0.39 0.98 0.00 -1.71 0.00 0.00 66.02 64.41 1pww s SER 429 CO 0.71 -0.85 1.71 0.35 1.20 0.00 0.00 173.24 176.36 1pww n THR 430 N -0.20 0.00 0.78 6.45 -2.24 -1.26 -3.99 114.28 113.83 1pww n THR 430 Ca -0.05 -0.26 0.11 0.00 -2.27 0.00 0.00 64.05 61.58 1pww n THR 430 Cb 0.64 0.55 0.29 0.00 -2.10 0.00 0.00 70.33 69.70 1pww n THR 430 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pww n LEU 431 N 0.19 2.50 0.00 3.22 4.77 -1.26 -4.99 117.00 121.43 1pww n LEU 431 Ca 0.18 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1pww n LEU 431 Cb 0.37 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1pww n LEU 431 CO 0.17 0.54 0.00 0.00 -1.33 0.00 0.00 177.39 176.77 1pww n TYR 432 N 0.87 0.00 0.00 -1.77 0.18 -1.26 -5.04 117.16 110.14 1pww n TYR 432 Ca 0.17 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.95 1pww n TYR 432 Cb 0.45 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.41 1pww n TYR 432 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1pww n ASN 433 N 0.00 0.00 -4.77 9.48 3.02 -1.26 -4.53 115.26 117.20 1pww n ASN 433 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 1pww n ASN 433 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1pww n ASN 433 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1pww s LYS 434 N 1.33 4.26 -0.15 3.52 1.02 -1.26 -4.98 119.74 123.48 1pww s LYS 434 Ca 0.00 2.20 -0.04 0.00 0.02 0.00 0.00 55.97 58.15 1pww s LYS 434 Cb 0.00 -2.99 0.06 0.00 -0.52 0.00 0.00 37.83 34.38 1pww s LYS 434 CO 0.00 -0.26 0.11 0.42 -0.92 0.00 0.00 175.35 174.69 1pww s ILE 435 N -1.18 -0.13 -0.19 2.17 1.09 -1.26 -5.10 121.20 116.60 1pww s ILE 435 Ca 0.51 -0.04 -0.16 0.00 -1.10 0.00 0.00 60.65 59.86 1pww s ILE 435 Cb -0.39 -0.51 -0.04 0.00 -1.06 0.00 0.00 42.46 40.46 1pww s ILE 435 CO 0.52 -0.18 0.39 -0.31 -0.10 0.00 0.00 174.94 175.26 1pww s TYR 436 N 2.18 3.40 0.26 3.97 1.51 -1.26 -2.87 117.35 124.53 1pww s TYR 436 Ca 0.03 0.63 0.08 0.00 -1.01 0.00 0.00 57.07 56.80 1pww s TYR 436 Cb -0.15 -2.50 -0.04 0.00 -0.11 0.00 0.00 41.96 39.16 1pww s TYR 436 CO -0.08 0.04 0.13 -0.51 -1.11 0.00 0.00 175.55 174.01 1pww s LEU 437 N 1.15 3.61 0.11 -1.29 1.43 -0.31 -4.82 118.68 118.56 1pww s LEU 437 Ca 0.19 -0.39 0.09 0.00 -1.03 0.00 0.00 54.13 52.99 1pww s LEU 437 Cb -0.15 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 1pww s LEU 437 CO 0.08 -0.03 -0.21 -0.31 0.23 0.00 0.00 176.35 176.10 1pww s TYR 438 N -2.20 1.85 -0.10 0.29 1.51 -0.33 -1.35 117.35 117.01 1pww s TYR 438 Ca 0.32 -0.42 -0.07 0.00 -1.01 0.00 0.00 57.07 55.90 1pww s TYR 438 Cb -0.07 -1.00 0.04 0.00 -0.11 0.00 0.00 41.96 40.81 1pww s TYR 438 CO 0.23 0.23 0.24 -2.00 -1.11 0.00 0.00 175.55 173.15 1pww s GLU 439 N -1.99 0.24 -0.22 -0.62 2.12 -1.10 0.64 118.70 117.76 1pww s GLU 439 Ca 0.08 0.44 -0.09 0.00 0.36 0.00 0.00 54.97 55.76 1pww s GLU 439 Cb -0.10 0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.25 1pww s GLU 439 CO 0.05 -0.10 0.11 -0.80 -0.54 0.00 0.00 175.26 173.98 1pww s ASN 440 N 0.72 5.85 0.25 -1.70 0.02 -1.26 -0.78 114.94 118.05 1pww s ASN 440 Ca -0.05 0.08 0.11 0.00 -1.02 0.00 0.00 52.86 51.98 1pww s ASN 440 Cb -0.06 -2.04 -0.05 0.00 0.02 0.00 0.00 41.25 39.12 1pww s ASN 440 CO -0.04 0.10 -0.20 -0.32 0.02 0.00 0.00 177.10 176.66 1pww s MET 441 N 0.82 1.59 -0.23 -0.60 1.75 0.09 -5.02 119.30 117.70 1pww s MET 441 Ca 0.06 -1.69 -0.09 0.00 -1.25 0.00 0.00 55.69 52.72 1pww s MET 441 Cb -0.13 -1.68 -0.04 0.00 2.84 0.00 0.00 34.83 35.82 1pww s MET 441 CO 0.02 0.32 0.11 1.21 -0.65 0.00 0.00 175.02 176.04 1pww s ASN 442 N -3.31 5.76 0.53 1.11 3.84 -1.26 -2.32 114.94 119.29 1pww s ASN 442 Ca 0.27 0.03 0.19 0.00 0.21 0.00 0.00 52.86 53.56 1pww s ASN 442 Cb -0.05 -2.03 1.34 0.00 -0.55 0.00 0.00 41.25 39.97 1pww s ASN 442 CO 0.13 0.07 2.12 -0.29 -2.79 0.00 0.00 177.10 176.34 1pww h ILE 443 N 5.10 0.90 -0.03 -5.21 2.10 -1.95 -0.05 117.51 118.37 1pww h ILE 443 Ca -0.37 0.00 0.01 0.00 1.08 0.00 0.00 64.86 65.57 1pww h ILE 443 Cb 1.17 0.94 -0.00 0.00 -1.09 0.00 0.00 36.82 37.84 1pww h ILE 443 CO 0.65 0.00 0.21 0.78 -1.08 0.00 0.00 178.15 178.71 1pww h ASN 444 N 0.00 0.00 1.15 2.19 2.35 -1.91 0.30 115.58 119.66 1pww h ASN 444 Ca 0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1pww h ASN 444 Cb 0.22 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1pww h ASN 444 CO -0.00 0.00 -0.09 -1.13 -1.65 0.00 0.00 177.43 174.56 1pww h ASN 445 N 0.00 0.00 0.00 5.81 -1.24 -1.37 -3.26 115.58 115.52 1pww h ASN 445 Ca 0.01 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.74 1pww h ASN 445 Cb 0.43 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.43 1pww h ASN 445 CO -0.00 0.09 -2.05 0.18 -1.29 0.00 0.00 177.43 174.36 1pww n LEU 446 N -3.19 2.83 -3.23 0.34 4.32 0.91 -4.90 117.00 114.08 1pww n LEU 446 Ca 0.01 -0.07 -0.02 0.00 -0.02 0.00 0.00 56.01 55.91 1pww n LEU 446 Cb 0.39 -0.64 -0.02 0.00 -1.62 0.00 0.00 43.42 41.53 1pww n LEU 446 CO 0.31 0.77 0.03 0.28 -1.22 0.00 0.00 177.39 177.56 1pww s THR 447 N -2.37 -0.84 0.42 -5.08 -1.32 -0.37 -4.39 115.64 101.69 1pww s THR 447 Ca -0.25 -0.17 0.09 0.00 -1.21 0.00 0.00 61.69 60.15 1pww s THR 447 Cb 0.07 -0.70 0.24 0.00 -1.51 0.00 0.00 72.50 70.60 1pww s THR 447 CO 0.42 -0.13 2.04 0.00 -2.21 0.00 0.00 174.62 174.73 1pww h ALA 448 N 7.68 1.71 -0.33 11.08 0.00 -1.18 0.51 119.26 138.72 1pww h ALA 448 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1pww h ALA 448 Cb 1.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1pww h ALA 448 CO 0.17 0.24 0.11 1.79 0.00 0.00 0.00 179.25 181.56 1pww h THR 449 N 0.36 1.20 0.11 0.00 1.35 -1.76 -0.61 112.91 113.57 1pww h THR 449 Ca 0.09 -0.65 -0.28 0.00 -0.55 0.00 0.00 66.41 65.02 1pww h THR 449 Cb 0.07 1.02 0.02 0.00 -1.73 0.00 0.00 68.15 67.52 1pww h THR 449 CO -0.01 0.22 -1.19 -0.07 -0.25 0.00 0.00 175.52 174.22 1pww h LEU 450 N 0.37 0.68 -2.18 3.87 3.38 -1.80 -3.09 115.31 116.55 1pww h LEU 450 Ca 0.11 -0.64 0.06 0.00 0.09 0.00 0.00 57.88 57.50 1pww h LEU 450 Cb 0.24 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1pww h LEU 450 CO -0.00 1.46 0.23 1.23 0.09 0.00 0.00 178.44 181.45 1pww h GLY 451 N 0.84 0.00 1.81 0.83 0.00 0.16 0.13 103.07 106.84 1pww h GLY 451 Ca -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 1pww h GLY 451 CO 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.74 1pww h ALA 452 N 1.74 1.65 0.00 3.60 0.00 -1.01 -3.21 119.26 122.03 1pww h ALA 452 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pww h ALA 452 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1pww h ALA 452 CO -0.00 0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.26 1pww n ASP 453 N -4.37 1.81 -0.09 0.00 8.00 -0.07 -4.81 116.55 117.02 1pww n ASP 453 Ca -0.00 -1.86 0.02 0.00 0.71 0.00 0.00 54.79 53.66 1pww n ASP 453 Cb 0.19 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.63 1pww n ASP 453 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1pww h LEU 454 N 0.00 0.64 -9.46 0.64 5.85 -1.28 -3.43 115.31 108.27 1pww h LEU 454 Ca 0.00 -0.02 -0.61 0.00 0.84 0.00 0.00 57.88 58.09 1pww h LEU 454 Cb 0.48 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 1pww h LEU 454 CO 0.00 0.46 -0.33 -0.69 -0.34 0.00 0.00 178.44 177.54 1pww s VAL 455 N -5.65 5.28 -0.20 1.05 1.01 -1.26 -1.22 120.40 119.42 1pww s VAL 455 Ca -0.09 0.54 -0.35 0.00 0.00 0.00 0.00 61.98 62.07 1pww s VAL 455 Cb 0.18 -3.60 -0.12 0.00 0.00 0.00 0.00 36.38 32.84 1pww s VAL 455 CO 0.75 0.49 1.96 -0.67 0.00 0.00 0.00 175.10 177.63 1pww n ASP 456 N 2.81 2.92 0.12 3.32 4.64 -0.97 -4.78 116.55 124.61 1pww n ASP 456 Ca -0.14 0.79 0.20 0.00 -1.38 0.00 0.00 54.79 54.26 1pww n ASP 456 Cb 0.53 -1.32 0.70 0.00 -1.04 0.00 0.00 41.12 39.99 1pww n ASP 456 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 1pww h SER 457 N 10.11 0.00 0.00 1.67 4.64 -1.91 -3.19 113.55 124.87 1pww h SER 457 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1pww h SER 457 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1pww h SER 457 CO 0.97 0.00 -0.25 0.35 -0.87 0.00 0.00 176.83 177.03 1pww n THR 458 N -3.45 0.44 -2.85 2.95 -2.24 -1.26 -4.84 114.28 103.02 1pww n THR 458 Ca 0.07 0.40 -0.43 0.00 -2.27 0.00 0.00 64.05 61.82 1pww n THR 458 Cb 0.68 -1.76 -0.03 0.00 -2.10 0.00 0.00 70.33 67.12 1pww n THR 458 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pww s ASP 459 N -4.43 6.29 0.55 3.42 3.68 -1.20 -4.89 116.67 120.08 1pww s ASP 459 Ca -0.07 -1.24 0.31 0.00 2.13 0.00 0.00 52.55 53.68 1pww s ASP 459 Cb 0.01 -2.42 1.48 0.00 -1.45 0.00 0.00 42.92 40.53 1pww s ASP 459 CO 0.11 -1.37 1.87 0.78 0.13 0.00 0.00 175.17 176.69 1pww h ASN 460 N 9.42 0.00 1.15 -0.34 2.35 -1.89 0.54 115.58 126.81 1pww h ASN 460 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1pww h ASN 460 Cb 1.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1pww h ASN 460 CO 1.18 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 177.31 1pww n THR 461 N -4.13 0.49 -4.01 2.81 -2.24 -1.26 -4.79 114.28 101.14 1pww n THR 461 Ca 0.17 -0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.58 1pww n THR 461 Cb 0.94 -0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 68.44 1pww n THR 461 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1pww s LYS 462 N -3.10 3.11 -0.13 -0.78 -0.14 0.18 -0.54 119.74 118.34 1pww s LYS 462 Ca 0.10 -0.67 -0.02 0.00 -1.36 0.00 0.00 55.97 54.02 1pww s LYS 462 Cb 0.14 -2.81 -0.02 0.00 -1.68 0.00 0.00 37.83 33.45 1pww s LYS 462 CO 0.52 0.54 -0.07 0.42 -0.76 0.00 0.00 175.35 176.01 1pww s ILE 463 N -1.58 3.66 -0.21 2.17 1.01 -1.26 -2.29 121.20 122.69 1pww s ILE 463 Ca 0.32 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 60.23 1pww s ILE 463 Cb -0.12 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 1pww s ILE 463 CO 0.25 0.52 1.87 0.21 0.00 0.00 0.00 174.94 177.78 1pww s ASN 464 N 0.13 6.03 0.56 3.58 3.84 -0.35 -4.82 114.94 123.90 1pww s ASN 464 Ca -0.03 1.75 0.26 0.00 0.21 0.00 0.00 52.86 55.05 1pww s ASN 464 Cb -0.14 -2.52 1.52 0.00 -0.55 0.00 0.00 41.25 39.56 1pww s ASN 464 CO 0.03 -1.53 2.08 0.03 -2.79 0.00 0.00 177.10 174.93 1pww h ARG 465 N 12.38 0.00 0.40 0.43 -0.00 -1.96 -2.22 114.38 123.41 1pww h ARG 465 Ca -0.38 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.08 1pww h ARG 465 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.16 1pww h ARG 465 CO 0.99 0.00 -0.19 0.78 0.00 0.00 0.00 179.97 181.55 1pww h GLY 466 N 0.00 -0.57 2.00 0.04 0.00 -1.97 -2.70 103.07 99.87 1pww h GLY 466 Ca 0.11 0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.58 1pww h GLY 466 CO -0.00 -0.21 -0.37 -2.22 0.00 0.00 0.00 176.54 173.75 1pww h ILE 467 N -0.63 1.26 0.01 2.60 5.03 -1.80 -3.04 117.51 120.94 1pww h ILE 467 Ca -0.06 -1.26 0.02 0.00 -0.12 0.00 0.00 64.86 63.45 1pww h ILE 467 Cb 0.47 1.68 -0.03 0.00 -3.03 0.00 0.00 36.82 35.91 1pww h ILE 467 CO 0.09 0.36 -0.13 0.15 -0.68 0.00 0.00 178.15 177.94 1pww h PHE 468 N 0.00 -0.32 0.00 1.37 3.57 -1.11 0.31 116.94 120.76 1pww h PHE 468 Ca -0.00 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 1pww h PHE 468 Cb 0.65 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1pww h PHE 468 CO 0.00 -0.19 -0.31 -0.91 -2.23 0.00 0.00 178.31 174.67 1pww h ASN 469 N -0.22 0.00 -0.16 0.41 4.21 -1.47 0.45 115.58 118.80 1pww h ASN 469 Ca 0.04 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.47 1pww h ASN 469 Cb 0.27 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.47 1pww h ASN 469 CO -0.12 0.31 -0.23 -0.33 -1.29 0.00 0.00 177.43 175.77 1pww h GLU 470 N 0.00 0.44 -0.33 0.81 4.39 -1.26 0.64 114.58 119.26 1pww h GLU 470 Ca -0.00 -0.26 -0.11 0.00 0.34 0.00 0.00 59.36 59.33 1pww h GLU 470 Cb 0.65 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1pww h GLU 470 CO 0.04 0.84 -0.27 0.35 -1.16 0.00 0.00 179.01 178.82 1pww h PHE 471 N 0.07 0.76 0.00 4.33 3.57 -0.06 -2.70 116.94 122.91 1pww h PHE 471 Ca 0.02 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 1pww h PHE 471 Cb 0.80 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 1pww h PHE 471 CO 0.09 0.86 -0.15 -0.22 -2.23 0.00 0.00 178.31 176.66 1pww h LYS 472 N 0.58 0.00 0.00 1.11 3.64 -0.02 -3.41 116.57 118.47 1pww h LYS 472 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1pww h LYS 472 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1pww h LYS 472 CO 0.06 0.15 0.00 1.17 -2.27 0.00 0.00 179.45 178.56 1pww n LYS 473 N -3.28 0.00 -2.20 1.90 3.00 0.21 -3.37 118.16 114.42 1pww n LYS 473 Ca 0.01 0.04 -0.38 0.00 -0.00 0.00 0.00 58.31 57.98 1pww n LYS 473 Cb 0.41 -0.40 0.03 0.00 0.00 0.00 0.00 35.03 35.06 1pww n LYS 473 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1pww n ASN 474 N -0.09 6.92 -4.29 3.14 4.13 -1.26 -4.88 115.26 118.92 1pww n ASN 474 Ca 0.00 -3.78 -0.45 0.00 1.68 0.00 0.00 54.58 52.03 1pww n ASN 474 Cb 0.00 -0.97 -0.04 0.00 -1.54 0.00 0.00 39.78 37.22 1pww n ASN 474 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1pww s PHE 475 N -4.02 3.52 -0.02 3.10 2.19 -1.22 -2.88 117.98 118.65 1pww s PHE 475 Ca 0.49 -1.80 0.05 0.00 0.33 0.00 0.00 56.93 56.00 1pww s PHE 475 Cb 0.38 -3.72 -0.08 0.00 -1.31 0.00 0.00 43.02 38.28 1pww s PHE 475 CO -0.31 -0.99 0.10 1.63 1.83 0.00 0.00 175.22 177.48 1pww n LYS 476 N 4.48 0.84 -3.50 10.12 5.02 -1.26 -4.77 118.16 129.09 1pww n LYS 476 Ca 0.01 -0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.12 1pww n LYS 476 Cb 0.43 -1.13 -0.04 0.00 -0.02 0.00 0.00 35.03 34.27 1pww n LYS 476 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1pww s TYR 477 N -2.33 -0.53 0.08 2.13 -0.85 -1.26 -2.22 117.35 112.37 1pww s TYR 477 Ca -0.02 0.62 0.02 0.00 -0.52 0.00 0.00 57.07 57.17 1pww s TYR 477 Cb 0.03 0.44 -0.04 0.00 0.38 0.00 0.00 41.96 42.77 1pww s TYR 477 CO 0.23 -0.71 -0.07 0.45 -1.52 0.00 0.00 175.55 173.93 1pww s SER 478 N -2.01 1.09 0.07 -0.18 0.15 0.15 -2.31 113.70 110.65 1pww s SER 478 Ca -0.05 -0.85 0.05 0.00 0.70 0.00 0.00 55.95 55.80 1pww s SER 478 Cb -0.01 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.35 1pww s SER 478 CO -0.02 -0.37 -0.14 -0.63 1.20 0.00 0.00 173.24 173.28 1pww s ILE 479 N -2.84 1.14 -0.18 6.45 1.01 -1.14 -0.06 121.20 125.58 1pww s ILE 479 Ca 0.05 -1.24 -0.00 0.00 0.00 0.00 0.00 60.65 59.45 1pww s ILE 479 Cb -0.00 -1.08 0.04 0.00 0.01 0.00 0.00 42.46 41.43 1pww s ILE 479 CO -0.03 -0.16 -0.06 -0.55 0.00 0.00 0.00 174.94 174.14 1pww s SER 480 N -1.60 3.02 -0.02 3.58 0.15 -0.72 -0.93 113.70 117.17 1pww s SER 480 Ca -0.01 -0.74 0.22 0.00 0.70 0.00 0.00 55.95 56.12 1pww s SER 480 Cb -0.09 -1.00 -0.29 0.00 -1.71 0.00 0.00 66.02 62.92 1pww s SER 480 CO 0.02 -0.18 0.66 -1.20 1.20 0.00 0.00 173.24 173.75 1pww n SER 481 N 4.82 0.44 -3.25 5.45 7.64 -1.25 0.09 113.62 127.55 1pww n SER 481 Ca -0.13 -0.44 -0.13 0.00 1.01 0.00 0.00 58.87 59.19 1pww n SER 481 Cb 0.47 1.56 -0.01 0.00 -1.01 0.00 0.00 64.21 65.22 1pww n SER 481 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1pww n ASN 482 N -1.93 2.07 -4.58 6.43 0.23 -1.26 -4.29 115.26 111.93 1pww n ASN 482 Ca -0.00 -1.90 -0.42 0.00 -0.53 0.00 0.00 54.58 51.72 1pww n ASN 482 Cb 0.46 0.04 -0.05 0.00 -2.08 0.00 0.00 39.78 38.15 1pww n ASN 482 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1pww s TYR 483 N -1.42 3.11 -0.16 -2.53 1.51 -1.26 -4.45 117.35 112.15 1pww s TYR 483 Ca 0.09 0.52 -0.29 0.00 -1.01 0.00 0.00 57.07 56.38 1pww s TYR 483 Cb -0.01 -3.37 -0.02 0.00 -0.11 0.00 0.00 41.96 38.45 1pww s TYR 483 CO 0.06 -0.73 1.42 -1.64 -1.11 0.00 0.00 175.55 173.56 1pww s MET 484 N 3.05 4.12 -0.39 -0.62 -1.94 -1.25 -4.84 119.30 117.42 1pww s MET 484 Ca 0.30 1.75 -0.12 0.00 -1.71 0.00 0.00 55.69 55.92 1pww s MET 484 Cb -0.13 -3.88 0.03 0.00 2.01 0.00 0.00 34.83 32.86 1pww s MET 484 CO 0.17 -0.88 0.25 0.42 -0.01 0.00 0.00 175.02 174.97 1pww s ILE 485 N 3.99 4.77 0.38 2.53 1.01 -1.26 -1.01 121.20 131.61 1pww s ILE 485 Ca 0.62 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 60.49 1pww s ILE 485 Cb -0.25 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 1pww s ILE 485 CO 0.22 -0.30 0.10 0.68 0.00 0.00 0.00 174.94 175.64 1pww s VAL 486 N 1.58 2.44 -0.10 2.92 -7.23 -0.54 -4.87 120.40 114.60 1pww s VAL 486 Ca 0.03 -1.82 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 1pww s VAL 486 Cb -0.20 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 1pww s VAL 486 CO 0.07 -0.08 0.04 -1.81 -0.31 0.00 0.00 175.10 173.01 1pww s ASP 487 N -3.81 5.52 0.23 4.85 1.01 0.21 -0.64 116.67 124.04 1pww s ASP 487 Ca 0.38 0.22 -0.05 0.00 0.71 0.00 0.00 52.55 53.81 1pww s ASP 487 Cb 0.03 -1.63 0.24 0.00 1.01 0.00 0.00 42.92 42.57 1pww s ASP 487 CO 0.21 0.38 1.76 0.40 0.21 0.00 0.00 175.17 178.14 1pww h ILE 488 N 4.13 1.25 -4.15 0.77 2.04 -1.64 -0.88 117.51 119.03 1pww h ILE 488 Ca -0.52 -0.92 -0.52 0.00 1.00 0.00 0.00 64.86 63.91 1pww h ILE 488 Cb 1.20 0.59 -0.26 0.00 -0.74 0.00 0.00 36.82 37.61 1pww h ILE 488 CO 0.55 0.35 -0.82 0.20 0.00 0.00 0.00 178.15 178.43 1pww s ASN 489 N -6.51 2.02 0.45 1.72 0.01 -1.26 -4.71 114.94 106.66 1pww s ASN 489 Ca -0.11 -0.44 -0.25 0.00 -0.71 0.00 0.00 52.86 51.36 1pww s ASN 489 Cb 0.15 -0.17 -0.09 0.00 0.41 0.00 0.00 41.25 41.55 1pww s ASN 489 CO 0.83 0.12 1.25 1.21 -1.51 0.00 0.00 177.10 179.00 1pww n GLU 490 N 2.08 1.82 -3.99 -0.60 2.13 -1.26 -4.87 120.64 115.95 1pww n GLU 490 Ca -0.17 0.65 -0.13 0.00 0.66 0.00 0.00 57.16 58.17 1pww n GLU 490 Cb 0.54 -2.38 -0.14 0.00 0.27 0.00 0.00 31.44 29.73 1pww n GLU 490 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1pww s ARG 491 N -2.31 0.19 0.40 5.31 0.52 -1.26 -5.10 118.95 116.70 1pww s ARG 491 Ca 0.63 -0.13 -0.22 0.00 -0.52 0.00 0.00 55.73 55.49 1pww s ARG 491 Cb -0.49 -0.16 -0.14 0.00 0.52 0.00 0.00 34.95 34.68 1pww s ARG 491 CO 0.56 0.04 0.32 -0.35 0.02 0.00 0.00 175.30 175.90 1pww n PRO 492 N 2.90 0.26 -3.23 3.54 -0.04 -1.26 -4.94 135.00 132.23 1pww n PRO 492 Ca -0.13 0.09 -0.19 0.00 -0.04 0.00 0.00 63.50 63.23 1pww n PRO 492 Cb 0.59 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1pww n PRO 492 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pww s ALA 493 N -1.55 4.40 0.86 0.55 0.00 -1.26 -5.07 121.76 119.69 1pww s ALA 493 Ca 0.61 -1.78 -0.12 0.00 0.00 0.00 0.00 51.96 50.67 1pww s ALA 493 Cb -0.64 -1.37 0.11 0.00 0.00 0.00 0.00 23.12 21.22 1pww s ALA 493 CO 0.60 -0.35 1.10 -0.51 0.00 0.00 0.00 175.76 176.60 1pww s LEU 494 N -4.32 2.34 0.23 0.00 1.02 -1.26 -4.93 118.68 111.76 1pww s LEU 494 Ca 0.53 1.31 -0.07 0.00 0.02 0.00 0.00 54.13 55.91 1pww s LEU 494 Cb -0.07 -3.79 0.25 0.00 0.02 0.00 0.00 46.19 42.60 1pww s LEU 494 CO 0.32 -2.34 1.89 0.44 0.02 0.00 0.00 176.35 176.67 1pww h ASP 495 N -1.35 0.96 -0.16 2.29 3.32 -2.02 -2.04 116.42 117.42 1pww h ASP 495 Ca -0.49 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1pww h ASP 495 Cb 1.29 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1pww h ASP 495 CO 0.58 0.67 0.00 -0.46 -1.72 0.00 0.00 179.24 178.31 1pww n ASN 496 N -4.52 2.15 -3.99 6.45 2.04 -1.26 -4.65 115.26 111.49 1pww n ASN 496 Ca 0.11 -2.22 -0.31 0.00 -0.44 0.00 0.00 54.58 51.72 1pww n ASN 496 Cb 0.07 -0.50 -0.15 0.00 -2.53 0.00 0.00 39.78 36.67 1pww n ASN 496 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1pww s GLU 497 N -1.51 1.67 0.00 -3.83 2.02 -0.77 -4.37 118.70 111.91 1pww s GLU 497 Ca 0.15 -2.17 0.21 0.00 0.02 0.00 0.00 54.97 53.17 1pww s GLU 497 Cb 0.11 -3.23 0.30 0.00 0.10 0.00 0.00 34.13 31.40 1pww s GLU 497 CO 0.05 -1.01 1.26 0.54 0.02 0.00 0.00 175.26 176.12 1pww n ARG 498 N 3.79 2.18 -3.82 1.61 5.12 -1.16 -4.60 116.66 119.78 1pww n ARG 498 Ca 0.04 -2.00 -0.36 0.00 -1.93 0.00 0.00 57.85 53.60 1pww n ARG 498 Cb 0.38 -1.43 -0.11 0.00 -1.16 0.00 0.00 32.46 30.13 1pww n ARG 498 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1pww s LEU 499 N -1.51 3.66 -0.30 0.55 1.02 -0.98 -1.39 118.68 119.74 1pww s LEU 499 Ca 0.31 -0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.40 1pww s LEU 499 Cb 0.19 -1.97 0.07 0.00 0.02 0.00 0.00 46.19 44.50 1pww s LEU 499 CO 0.27 0.03 -0.04 -0.54 0.02 0.00 0.00 176.35 176.10 1pww s LYS 500 N 1.23 2.04 0.23 1.70 1.02 -0.61 -0.73 119.74 124.62 1pww s LYS 500 Ca 0.05 -1.51 -0.21 0.00 0.02 0.00 0.00 55.97 54.32 1pww s LYS 500 Cb -0.14 -3.05 -0.08 0.00 -0.52 0.00 0.00 37.83 34.03 1pww s LYS 500 CO 0.04 -0.71 0.76 -1.58 -0.92 0.00 0.00 175.35 172.95 1pww s TRP 501 N 1.06 3.68 -0.37 3.18 0.52 0.04 -1.50 118.94 125.55 1pww s TRP 501 Ca -0.02 1.47 0.01 0.00 0.02 0.00 0.00 56.10 57.58 1pww s TRP 501 Cb -0.20 -2.68 0.12 0.00 -1.15 0.00 0.00 33.47 29.56 1pww s TRP 501 CO -0.05 0.33 0.15 0.50 0.02 0.00 0.00 176.95 177.90 1pww s ARG 502 N -1.91 1.08 -0.17 4.98 3.52 -0.94 -2.72 118.95 122.78 1pww s ARG 502 Ca 0.43 -1.60 -0.15 0.00 -0.13 0.00 0.00 55.73 54.28 1pww s ARG 502 Cb -0.17 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.84 1pww s ARG 502 CO 0.22 -1.05 0.36 0.42 -0.81 0.00 0.00 175.30 174.43 1pww s ILE 503 N 0.96 5.25 -0.54 4.11 -1.09 -0.46 -1.94 121.20 127.49 1pww s ILE 503 Ca 0.13 0.66 -0.20 0.00 -2.23 0.00 0.00 60.65 59.01 1pww s ILE 503 Cb -0.21 -3.70 0.06 0.00 -1.58 0.00 0.00 42.46 37.04 1pww s ILE 503 CO -0.12 0.32 0.72 -1.58 -1.23 0.00 0.00 174.94 173.05 1pww s GLN 504 N 0.86 3.14 0.92 2.79 0.74 0.46 -1.16 119.66 127.42 1pww s GLN 504 Ca 0.19 -0.85 -0.12 0.00 0.05 0.00 0.00 55.36 54.62 1pww s GLN 504 Cb -0.14 -4.13 0.14 0.00 1.10 0.00 0.00 33.01 29.99 1pww s GLN 504 CO 0.07 -1.36 1.09 -0.51 -0.55 0.00 0.00 175.29 174.02 1pww s LEU 505 N 2.97 2.08 -0.08 3.68 2.01 -1.14 -1.37 118.68 126.84 1pww s LEU 505 Ca 0.18 1.40 0.00 0.00 0.01 0.00 0.00 54.13 55.71 1pww s LEU 505 Cb -0.19 -3.76 -0.03 0.00 0.01 0.00 0.00 46.19 42.23 1pww s LEU 505 CO 0.12 -2.77 -0.06 -0.55 1.01 0.00 0.00 176.35 174.11 1pww s SER 506 N -3.44 4.75 0.45 2.29 0.15 -1.26 -4.75 113.70 111.88 1pww s SER 506 Ca 0.64 -0.00 0.28 0.00 0.70 0.00 0.00 55.95 57.57 1pww s SER 506 Cb -0.18 -1.27 1.36 0.00 -1.71 0.00 0.00 66.02 64.22 1pww s SER 506 CO 0.57 0.35 1.69 -0.65 1.20 0.00 0.00 173.24 176.40 1pww h PRO 507 N 5.36 0.16 0.00 5.44 0.11 -1.95 1.09 132.00 142.21 1pww h PRO 507 Ca -0.47 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1pww h PRO 507 Cb 1.18 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1pww h PRO 507 CO 0.53 0.11 -0.10 -0.44 -0.21 0.00 0.00 178.00 177.90 1pww h ASP 508 N 0.17 0.00 -2.54 -2.05 3.45 -1.95 -2.18 116.42 111.32 1pww h ASP 508 Ca 0.72 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 57.65 1pww h ASP 508 Cb 2.27 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 41.06 1pww h ASP 508 CO -0.30 0.10 1.11 -0.89 -1.57 0.00 0.00 179.24 177.69 1pww s THR 509 N -3.78 3.03 0.23 0.35 2.01 0.38 -4.72 115.64 113.13 1pww s THR 509 Ca -0.00 0.29 -0.24 0.00 0.31 0.00 0.00 61.69 62.05 1pww s THR 509 Cb 0.10 -3.19 -0.09 0.00 0.01 0.00 0.00 72.50 69.34 1pww s THR 509 CO 0.57 -0.01 0.81 -0.13 -0.69 0.00 0.00 174.62 175.17 1pww s ARG 510 N 3.49 4.47 0.21 4.92 0.52 -1.26 -0.84 118.95 130.46 1pww s ARG 510 Ca 0.80 1.11 -0.17 0.00 -0.52 0.00 0.00 55.73 56.95 1pww s ARG 510 Cb -0.41 -3.01 0.02 0.00 0.52 0.00 0.00 34.95 32.08 1pww s ARG 510 CO 0.35 0.43 0.53 0.00 0.02 0.00 0.00 175.30 176.64 1pww s ALA 511 N -1.40 -0.86 -0.02 2.13 0.00 -0.95 -2.25 121.76 118.41 1pww s ALA 511 Ca 0.42 -0.32 0.06 0.00 0.00 0.00 0.00 51.96 52.13 1pww s ALA 511 Cb -0.20 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1pww s ALA 511 CO 0.24 -0.83 -0.21 0.20 0.00 0.00 0.00 175.76 175.16 1pww s GLY 512 N -2.90 1.40 0.02 0.00 0.00 0.51 -4.38 107.32 101.97 1pww s GLY 512 Ca 0.11 -1.08 -0.18 0.00 0.00 0.00 0.00 44.72 43.57 1pww s GLY 512 CO -0.01 -0.90 0.51 -0.47 0.00 0.00 0.00 173.10 172.24 1pww s TYR 513 N -0.69 3.73 0.05 1.90 5.04 -1.26 -0.83 117.35 125.28 1pww s TYR 513 Ca 0.11 1.13 0.06 0.00 -2.44 0.00 0.00 57.07 55.93 1pww s TYR 513 Cb -0.10 -2.45 -0.04 0.00 0.35 0.00 0.00 41.96 39.72 1pww s TYR 513 CO 0.00 0.52 -0.12 -0.51 -1.34 0.00 0.00 175.55 174.10 1pww s LEU 514 N -0.76 2.91 0.14 6.97 1.43 -0.26 -4.95 118.68 124.17 1pww s LEU 514 Ca 0.27 -0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 52.87 1pww s LEU 514 Cb -0.18 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.35 1pww s LEU 514 CO 0.16 0.24 1.76 -0.33 0.23 0.00 0.00 176.35 178.41 1pww h GLU 515 N 4.25 0.28 0.00 1.70 4.39 -1.98 -2.47 114.58 120.74 1pww h GLU 515 Ca -0.48 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1pww h GLU 515 Cb 1.16 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1pww h GLU 515 CO 0.51 0.18 0.01 0.27 -1.16 0.00 0.00 179.01 178.82 1pww n ASN 516 N -4.99 0.00 0.00 1.42 6.94 -1.26 -4.71 115.26 112.67 1pww n ASN 516 Ca -0.00 0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.61 1pww n ASN 516 Cb 0.09 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 1pww n ASN 516 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pww n GLY 517 N -1.01 1.11 3.54 4.83 0.00 -0.93 -5.03 105.19 107.69 1pww n GLY 517 Ca 0.00 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 1pww n GLY 517 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pww s LYS 518 N -0.41 1.82 0.08 1.61 1.02 -1.24 -1.68 119.74 120.94 1pww s LYS 518 Ca 0.00 -1.87 0.10 0.00 0.02 0.00 0.00 55.97 54.22 1pww s LYS 518 Cb 0.00 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.53 1pww s LYS 518 CO 0.00 0.19 -0.26 -0.51 -0.92 0.00 0.00 175.35 173.85 1pww s LEU 519 N -3.60 2.27 -0.27 3.17 1.43 0.19 -1.10 118.68 120.77 1pww s LEU 519 Ca 0.32 -0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 1pww s LEU 519 Cb 0.00 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 44.96 1pww s LEU 519 CO 0.16 0.22 0.02 -0.63 0.23 0.00 0.00 176.35 176.36 1pww s ILE 520 N -0.93 3.56 0.45 -0.59 1.01 -0.01 -1.47 121.20 123.21 1pww s ILE 520 Ca 0.13 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 1pww s ILE 520 Cb -0.10 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1pww s ILE 520 CO 0.04 0.17 0.75 -0.76 0.00 0.00 0.00 174.94 175.14 1pww s LEU 521 N 1.45 3.71 0.69 2.97 1.43 -0.18 -0.36 118.68 128.39 1pww s LEU 521 Ca 0.02 0.89 -0.15 0.00 -1.03 0.00 0.00 54.13 53.86 1pww s LEU 521 Cb -0.17 -3.82 0.02 0.00 0.03 0.00 0.00 46.19 42.25 1pww s LEU 521 CO -0.00 -0.51 1.16 0.00 0.23 0.00 0.00 176.35 177.22 1pww s GLN 522 N -4.55 2.47 0.70 1.70 -2.07 -0.95 -3.95 119.66 113.01 1pww s GLN 522 Ca 0.47 1.58 -0.10 0.00 -1.82 0.00 0.00 55.36 55.49 1pww s GLN 522 Cb -0.10 -1.89 0.03 0.00 -1.09 0.00 0.00 33.01 29.96 1pww s GLN 522 CO 0.42 -1.54 1.06 -0.98 -1.32 0.00 0.00 175.29 172.93 1pww s ARG 523 N -3.98 2.59 -0.76 9.60 1.70 -1.26 -4.46 118.95 122.38 1pww s ARG 523 Ca 0.71 0.19 -0.04 0.00 -0.47 0.00 0.00 55.73 56.12 1pww s ARG 523 Cb -0.25 -2.08 -0.04 0.00 -0.57 0.00 0.00 34.95 32.01 1pww s ARG 523 CO 0.43 -1.11 0.67 0.09 -1.08 0.00 0.00 175.30 174.30 1pww n ASN 524 N -2.97 -5.83 -4.72 -2.89 5.03 0.11 -4.99 115.26 99.00 1pww n ASN 524 Ca 0.07 -0.43 -0.33 0.00 0.87 0.00 0.00 54.58 54.76 1pww n ASN 524 Cb 0.58 -4.21 -0.08 0.00 -1.02 0.00 0.00 39.78 35.06 1pww n ASN 524 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pww s ILE 525 N -3.23 4.38 -0.15 2.41 -1.09 -0.41 -4.63 121.20 118.48 1pww s ILE 525 Ca 0.27 -0.48 -0.07 0.00 -2.23 0.00 0.00 60.65 58.14 1pww s ILE 525 Cb -0.04 -2.96 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 1pww s ILE 525 CO 0.58 0.40 0.08 -0.83 -1.23 0.00 0.00 174.94 173.93 1pww s GLY 526 N -1.53 1.98 -0.03 6.18 0.00 -1.07 -1.76 107.32 111.10 1pww s GLY 526 Ca 0.20 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.22 1pww s GLY 526 CO 0.10 -0.17 -0.10 1.08 0.00 0.00 0.00 173.10 174.01 1pww s LEU 527 N -0.25 1.81 -0.16 0.66 1.43 0.92 -0.49 118.68 122.60 1pww s LEU 527 Ca 0.09 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1pww s LEU 527 Cb -0.12 -0.62 -0.02 0.00 0.03 0.00 0.00 46.19 45.46 1pww s LEU 527 CO 0.01 0.08 -0.06 -1.61 0.23 0.00 0.00 176.35 175.00 1pww s GLU 528 N 0.16 3.55 0.09 1.70 2.02 -0.71 0.31 118.70 125.83 1pww s GLU 528 Ca -0.03 -0.58 -0.30 0.00 0.02 0.00 0.00 54.97 54.08 1pww s GLU 528 Cb -0.09 -2.85 -0.06 0.00 0.10 0.00 0.00 34.13 31.23 1pww s GLU 528 CO 0.01 0.17 1.05 0.42 0.02 0.00 0.00 175.26 176.92 1pww s ILE 529 N 0.54 4.33 -0.10 -1.63 -1.09 -0.94 -1.08 121.20 121.22 1pww s ILE 529 Ca -0.05 1.83 0.07 0.00 -2.23 0.00 0.00 60.65 60.27 1pww s ILE 529 Cb -0.15 -4.17 -0.10 0.00 -1.58 0.00 0.00 42.46 36.46 1pww s ILE 529 CO 0.03 0.23 0.19 0.29 -1.23 0.00 0.00 174.94 174.45 1pww n LYS 530 N 3.15 1.63 -3.59 2.79 4.76 0.12 -4.88 118.16 122.15 1pww n LYS 530 Ca 0.04 -0.04 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1pww n LYS 530 Cb 0.48 -1.05 -0.05 0.00 -1.84 0.00 0.00 35.03 32.57 1pww n LYS 530 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1pww s ASP 531 N -2.43 -0.28 -0.21 4.39 3.68 -0.79 -4.96 116.67 116.07 1pww s ASP 531 Ca -0.01 0.28 -0.05 0.00 2.13 0.00 0.00 52.55 54.90 1pww s ASP 531 Cb 0.05 0.24 0.11 0.00 -1.45 0.00 0.00 42.92 41.86 1pww s ASP 531 CO 0.28 -0.28 0.38 -0.69 0.13 0.00 0.00 175.17 174.99 1pww s VAL 532 N -1.25 -0.60 0.12 1.11 1.01 -1.26 -1.67 120.40 117.86 1pww s VAL 532 Ca 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 1pww s VAL 532 Cb -0.01 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1pww s VAL 532 CO -0.01 -0.01 0.09 0.00 0.00 0.00 0.00 175.10 175.16 1pww s GLN 533 N 2.56 0.91 -0.21 2.72 -2.07 -1.05 -5.00 119.66 117.52 1pww s GLN 533 Ca 0.05 -1.33 -0.16 0.00 -1.82 0.00 0.00 55.36 52.10 1pww s GLN 533 Cb -0.14 0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 32.01 1pww s GLN 533 CO -0.14 -0.26 0.40 0.42 -1.32 0.00 0.00 175.29 174.39 1pww s ILE 534 N -4.00 5.19 0.22 3.63 1.01 -1.26 -1.30 121.20 124.69 1pww s ILE 534 Ca 0.19 0.70 0.08 0.00 0.00 0.00 0.00 60.65 61.63 1pww s ILE 534 Cb 0.07 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 1pww s ILE 534 CO -0.01 0.23 -0.14 0.27 0.00 0.00 0.00 174.94 175.29 1pww s ILE 535 N 1.44 1.81 -0.11 2.92 -4.36 0.87 -4.20 121.20 119.58 1pww s ILE 535 Ca 0.19 -2.23 -0.01 0.00 -0.26 0.00 0.00 60.65 58.34 1pww s ILE 535 Cb -0.15 -2.12 -0.03 0.00 1.25 0.00 0.00 42.46 41.41 1pww s ILE 535 CO 0.08 -0.54 -0.07 -0.75 0.24 0.00 0.00 174.94 173.90 1pww s LYS 536 N -3.64 3.16 -0.18 0.37 2.20 -1.26 -0.34 119.74 120.05 1pww s LYS 536 Ca 0.24 -0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 55.23 1pww s LYS 536 Cb -0.01 -2.70 0.09 0.00 -1.51 0.00 0.00 37.83 33.70 1pww s LYS 536 CO 0.08 0.45 0.36 -1.14 -0.36 0.00 0.00 175.35 174.75 1pww s GLN 537 N -0.23 0.27 -0.99 4.03 0.74 0.45 -4.74 119.66 119.18 1pww s GLN 537 Ca 0.03 0.86 -0.01 0.00 0.05 0.00 0.00 55.36 56.30 1pww s GLN 537 Cb -0.13 0.08 -0.01 0.00 1.10 0.00 0.00 33.01 34.05 1pww s GLN 537 CO 0.03 -0.33 0.83 0.43 -0.55 0.00 0.00 175.29 175.70 1pww n SER 538 N 5.37 -2.48 -4.17 6.67 7.64 -1.26 -2.82 113.62 122.58 1pww n SER 538 Ca -0.07 -0.53 -0.36 0.00 1.01 0.00 0.00 58.87 58.92 1pww n SER 538 Cb 0.50 -4.40 -0.03 0.00 -1.01 0.00 0.00 64.21 59.26 1pww n SER 538 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1pww n GLU 539 N -3.55 -2.72 -3.80 1.43 1.02 -1.26 -4.93 120.64 106.82 1pww n GLU 539 Ca -0.22 0.33 -0.12 0.00 -0.02 0.00 0.00 57.16 57.13 1pww n GLU 539 Cb 0.64 -5.03 -0.09 0.00 -0.02 0.00 0.00 31.44 26.94 1pww n GLU 539 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1pww s LYS 540 N -6.86 0.67 -0.16 3.49 2.20 -1.13 -4.89 119.74 113.06 1pww s LYS 540 Ca 0.72 -0.40 -0.08 0.00 -0.36 0.00 0.00 55.97 55.85 1pww s LYS 540 Cb -0.40 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.17 1pww s LYS 540 CO 0.89 -0.19 0.11 -1.21 -0.36 0.00 0.00 175.35 174.58 1pww s GLU 541 N -1.89 3.78 0.28 4.03 2.02 0.30 -0.41 118.70 126.81 1pww s GLU 541 Ca -0.10 -0.23 0.03 0.00 0.02 0.00 0.00 54.97 54.69 1pww s GLU 541 Cb -0.04 -3.24 -0.06 0.00 0.10 0.00 0.00 34.13 30.90 1pww s GLU 541 CO 0.00 0.49 0.04 0.71 0.02 0.00 0.00 175.26 176.53 1pww s TYR 542 N -0.22 1.77 -0.45 1.61 1.51 0.54 -4.75 117.35 117.36 1pww s TYR 542 Ca 0.10 -0.98 -0.11 0.00 -1.01 0.00 0.00 57.07 55.06 1pww s TYR 542 Cb -0.12 -1.09 0.08 0.00 -0.11 0.00 0.00 41.96 40.72 1pww s TYR 542 CO 0.01 -0.06 0.32 0.42 -1.11 0.00 0.00 175.55 175.13 1pww s ILE 543 N -3.41 4.58 0.19 2.71 1.01 -0.48 -0.09 121.20 125.71 1pww s ILE 543 Ca 0.34 -1.34 -0.30 0.00 0.00 0.00 0.00 60.65 59.36 1pww s ILE 543 Cb 0.07 -3.81 -0.08 0.00 0.01 0.00 0.00 42.46 38.66 1pww s ILE 543 CO 0.13 -0.57 1.10 -0.60 0.00 0.00 0.00 174.94 175.00 1pww s ARG 544 N 1.49 4.60 -0.47 2.79 6.06 -0.42 -1.57 118.95 131.43 1pww s ARG 544 Ca 0.04 1.73 0.03 0.00 -2.50 0.00 0.00 55.73 55.03 1pww s ARG 544 Cb -0.24 -3.27 0.13 0.00 0.06 0.00 0.00 34.95 31.64 1pww s ARG 544 CO 0.03 0.09 0.24 0.42 -2.50 0.00 0.00 175.30 173.58 1pww s ILE 545 N -0.35 1.96 -0.17 4.11 1.01 -0.56 -2.51 121.20 124.69 1pww s ILE 545 Ca 0.49 -2.89 -0.29 0.00 0.00 0.00 0.00 60.65 57.95 1pww s ILE 545 Cb -0.30 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 1pww s ILE 545 CO 0.36 -0.84 1.24 -1.81 0.00 0.00 0.00 174.94 173.89 1pww s ASP 546 N 0.08 6.96 0.09 3.58 1.01 -0.67 -2.21 116.67 125.50 1pww s ASP 546 Ca 0.17 1.67 0.03 0.00 0.71 0.00 0.00 52.55 55.13 1pww s ASP 546 Cb -0.25 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.10 1pww s ASP 546 CO -0.00 -0.75 -0.08 0.00 0.21 0.00 0.00 175.17 174.55 1pww s ALA 547 N 3.44 0.98 -0.08 5.23 0.00 -0.82 0.16 121.76 130.68 1pww s ALA 547 Ca 0.54 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1pww s ALA 547 Cb -0.21 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1pww s ALA 547 CO 0.14 -0.12 -0.14 0.21 0.00 0.00 0.00 175.76 175.85 1pww s LYS 548 N -3.10 1.89 0.20 0.00 2.20 -0.24 -0.40 119.74 120.29 1pww s LYS 548 Ca 0.06 -0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 54.90 1pww s LYS 548 Cb -0.00 -1.56 -0.09 0.00 -1.51 0.00 0.00 37.83 34.67 1pww s LYS 548 CO -0.02 0.02 1.38 0.08 -0.36 0.00 0.00 175.35 176.44 1pww s VAL 549 N 0.72 3.01 0.08 4.02 1.01 -0.47 -1.73 120.40 127.03 1pww s VAL 549 Ca -0.13 0.82 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 1pww s VAL 549 Cb -0.16 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1pww s VAL 549 CO 0.03 0.11 0.10 0.68 0.00 0.00 0.00 175.10 176.03 1pww s VAL 550 N 0.25 0.17 -0.12 2.92 -7.23 0.36 -4.63 120.40 112.11 1pww s VAL 550 Ca 0.59 -1.45 -0.39 0.00 -1.81 0.00 0.00 61.98 58.92 1pww s VAL 550 Cb -0.39 -1.43 -0.17 0.00 0.56 0.00 0.00 36.38 34.95 1pww s VAL 550 CO 0.38 -0.78 1.53 -2.65 -0.31 0.00 0.00 175.10 173.28 1pww n PRO 551 N 0.00 1.04 -0.28 4.82 -0.02 -1.26 -2.59 135.00 136.71 1pww n PRO 551 Ca -0.14 0.38 0.12 0.00 -2.02 0.00 0.00 63.50 61.83 1pww n PRO 551 Cb 0.62 -2.03 0.37 0.00 -0.02 0.00 0.00 33.50 32.44 1pww n PRO 551 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pww h LYS 552 N 5.78 0.70 -0.77 -0.52 3.64 -1.87 -0.59 116.57 122.93 1pww h LYS 552 Ca -0.47 -0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.04 1pww h LYS 552 Cb 1.33 -0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 32.89 1pww h LYS 552 CO 0.87 0.46 0.24 0.66 -2.27 0.00 0.00 179.45 179.41 1pww h SER 553 N 0.72 0.13 -0.46 4.20 4.64 -1.94 0.43 113.55 121.26 1pww h SER 553 Ca 0.46 0.14 0.06 0.00 -0.47 0.00 0.00 61.79 61.98 1pww h SER 553 Cb 0.72 0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 62.93 1pww h SER 553 CO -0.22 -0.00 0.17 0.50 -0.87 0.00 0.00 176.83 176.41 1pww h LYS 554 N 0.33 0.34 -0.50 4.77 3.64 -1.45 0.13 116.57 123.82 1pww h LYS 554 Ca 0.45 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.72 1pww h LYS 554 Cb 0.76 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1pww h LYS 554 CO -0.50 0.22 -0.02 0.82 -2.27 0.00 0.00 179.45 177.71 1pww h ILE 555 N 0.35 1.26 -0.94 2.00 5.03 -1.13 -2.89 117.51 121.20 1pww h ILE 555 Ca 0.21 -1.11 -0.01 0.00 -0.12 0.00 0.00 64.86 63.83 1pww h ILE 555 Cb 0.20 0.99 -0.04 0.00 -3.03 0.00 0.00 36.82 34.93 1pww h ILE 555 CO -0.21 0.39 0.55 0.44 -0.68 0.00 0.00 178.15 178.64 1pww h ASP 556 N 0.76 1.14 -0.84 1.72 3.45 -0.25 -2.28 116.42 120.11 1pww h ASP 556 Ca 0.14 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.51 1pww h ASP 556 Cb 0.55 -0.29 -0.04 0.00 -0.56 0.00 0.00 39.33 38.99 1pww h ASP 556 CO 0.03 0.88 0.49 0.74 -1.57 0.00 0.00 179.24 179.81 1pww h THR 557 N 1.30 1.24 -0.47 0.35 2.02 -0.67 0.12 112.91 116.80 1pww h THR 557 Ca 0.33 -0.55 0.04 0.00 0.77 0.00 0.00 66.41 67.00 1pww h THR 557 Cb -0.03 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.42 1pww h THR 557 CO -0.06 0.26 0.23 0.11 0.37 0.00 0.00 175.52 176.43 1pww h LYS 558 N 1.16 0.45 -0.17 6.66 1.57 -1.22 0.36 116.57 125.39 1pww h LYS 558 Ca 0.30 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 1pww h LYS 558 Cb -0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1pww h LYS 558 CO -0.05 0.30 -0.22 0.82 -0.57 0.00 0.00 179.45 179.73 1pww h ILE 559 N 0.46 1.23 0.05 1.86 2.04 -0.85 -0.82 117.51 121.48 1pww h ILE 559 Ca 0.20 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 1pww h ILE 559 Cb 0.11 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1pww h ILE 559 CO -0.14 0.33 -0.03 -0.61 0.00 0.00 0.00 178.15 177.70 1pww h GLN 560 N 0.26 -0.07 -0.21 2.37 -0.00 0.42 -2.07 115.11 115.81 1pww h GLN 560 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1pww h GLN 560 Cb 0.53 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.02 1pww h GLN 560 CO 0.04 0.31 0.14 0.93 0.00 0.00 0.00 178.83 180.25 1pww h GLU 561 N -0.47 0.27 -0.86 1.69 5.08 -0.90 -1.94 114.58 117.45 1pww h GLU 561 Ca -0.01 -0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.54 1pww h GLU 561 Cb 0.42 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.49 1pww h GLU 561 CO 0.01 0.18 0.35 0.00 -1.00 0.00 0.00 179.01 178.56 1pww h ALA 562 N 1.08 1.32 -0.46 3.43 0.00 -1.12 0.19 119.26 123.70 1pww h ALA 562 Ca 0.08 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1pww h ALA 562 Cb -0.02 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1pww h ALA 562 CO -0.02 -0.31 0.05 0.37 0.00 0.00 0.00 179.25 179.34 1pww h GLN 563 N 0.40 0.78 -0.51 0.00 4.15 -0.67 -0.87 115.11 118.38 1pww h GLN 563 Ca 0.52 -0.22 0.02 0.00 0.77 0.00 0.00 58.65 59.74 1pww h GLN 563 Cb 0.95 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.52 1pww h GLN 563 CO -0.51 0.81 0.32 -0.07 -1.93 0.00 0.00 178.83 177.44 1pww h LEU 564 N 0.64 0.52 0.38 -2.39 3.38 -0.07 -2.66 115.31 115.11 1pww h LEU 564 Ca 0.14 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1pww h LEU 564 Cb 0.42 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1pww h LEU 564 CO 0.01 0.37 -0.18 -1.13 0.09 0.00 0.00 178.44 177.60 1pww h ASN 565 N 0.63 -0.43 0.00 -0.43 -0.73 -0.55 -1.83 115.58 112.24 1pww h ASN 565 Ca 0.20 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.36 1pww h ASN 565 Cb -0.00 0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.70 1pww h ASN 565 CO -0.08 -0.27 0.04 0.00 -0.37 0.00 0.00 177.43 176.75 1pww n ILE 566 N -5.29 1.15 -0.11 2.57 3.06 -0.35 -1.62 119.36 118.78 1pww n ILE 566 Ca -0.11 0.69 -0.14 0.00 -2.50 0.00 0.00 62.75 60.70 1pww n ILE 566 Cb 0.23 -1.69 -0.14 0.00 0.54 0.00 0.00 39.64 38.58 1pww n ILE 566 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1pww n ASN 567 N -2.08 0.98 0.20 9.51 4.13 -1.02 -3.21 115.26 123.78 1pww n ASN 567 Ca -0.01 -0.04 0.14 0.00 1.68 0.00 0.00 54.58 56.36 1pww n ASN 567 Cb 0.07 0.27 0.70 0.00 -1.54 0.00 0.00 39.78 39.28 1pww n ASN 567 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1pww h GLN 568 N 0.00 0.00 0.00 3.52 4.20 -0.44 0.09 115.11 122.48 1pww h GLN 568 Ca -0.55 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 57.81 1pww h GLN 568 Cb 2.08 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.81 1pww h GLN 568 CO -0.02 0.00 -2.01 -1.91 -0.67 0.00 0.00 178.83 174.22 1pww n GLU 569 N -2.53 0.57 0.20 1.46 2.13 -0.83 -4.30 120.64 117.34 1pww n GLU 569 Ca -0.00 0.34 0.13 0.00 0.66 0.00 0.00 57.16 58.29 1pww n GLU 569 Cb 0.13 -1.55 0.32 0.00 0.27 0.00 0.00 31.44 30.61 1pww n GLU 569 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 1pww h TRP 570 N -1.00 0.00 -0.13 4.31 4.06 -1.51 -2.37 115.95 119.31 1pww h TRP 570 Ca -0.52 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.33 1pww h TRP 570 Cb 1.44 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.58 1pww h TRP 570 CO -0.09 0.00 -0.34 -0.91 -3.56 0.00 0.00 178.44 173.55 1pww h ASN 571 N 0.00 0.27 0.31 -3.49 -0.26 -1.21 -2.51 115.58 108.69 1pww h ASN 571 Ca 0.00 -0.10 -0.02 0.00 -0.56 0.00 0.00 56.30 55.63 1pww h ASN 571 Cb 0.83 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 38.02 1pww h ASN 571 CO 0.00 0.60 -0.15 0.50 -1.06 0.00 0.00 177.43 177.32 1pww h LYS 572 N 0.23 -0.40 0.00 0.81 3.64 -1.69 0.39 116.57 119.55 1pww h LYS 572 Ca 0.03 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1pww h LYS 572 Cb 0.71 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1pww h LYS 572 CO 0.05 -0.27 0.15 0.00 -2.27 0.00 0.00 179.45 177.11 1pww n ALA 573 N -2.56 0.69 -0.01 5.00 0.00 -0.91 -0.82 120.51 121.90 1pww n ALA 573 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1pww n ALA 573 Cb 0.16 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1pww n ALA 573 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pww n LEU 574 N -1.20 0.09 -0.84 0.00 4.32 -0.95 -5.02 117.00 113.39 1pww n LEU 574 Ca 0.00 -0.49 -0.04 0.00 -0.02 0.00 0.00 56.01 55.46 1pww n LEU 574 Cb 0.15 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.96 1pww n LEU 574 CO 0.00 0.02 0.02 0.61 -1.22 0.00 0.00 177.39 176.82 1pww n GLY 575 N 0.81 0.58 3.84 -0.72 0.00 0.00 -4.89 105.19 104.81 1pww n GLY 575 Ca 0.00 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 1pww n GLY 575 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pww s LEU 576 N -1.75 4.05 0.06 0.99 1.43 0.13 -5.03 118.68 118.55 1pww s LEU 576 Ca 0.07 0.12 -0.37 0.00 -1.03 0.00 0.00 54.13 52.92 1pww s LEU 576 Cb -0.03 -2.66 -0.17 0.00 0.03 0.00 0.00 46.19 43.36 1pww s LEU 576 CO 0.09 0.18 1.37 -2.65 0.23 0.00 0.00 176.35 175.57 1pww n PRO 577 N 0.45 1.16 -0.22 1.29 -0.02 -1.26 -4.52 135.00 131.89 1pww n PRO 577 Ca -0.07 0.42 0.21 0.00 -2.02 0.00 0.00 63.50 62.03 1pww n PRO 577 Cb 0.51 -2.07 0.38 0.00 -0.02 0.00 0.00 33.50 32.31 1pww n PRO 577 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1pww n LYS 578 N 2.74 -0.04 -2.04 -0.52 4.81 -1.26 -2.06 118.16 119.80 1pww n LYS 578 Ca 0.19 0.95 -0.36 0.00 -0.87 0.00 0.00 58.31 58.21 1pww n LYS 578 Cb 0.19 -1.68 0.03 0.00 0.02 0.00 0.00 35.03 33.59 1pww n LYS 578 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1pww n TYR 579 N -4.57 3.10 -4.10 5.64 0.53 -1.26 -4.70 117.16 111.80 1pww n TYR 579 Ca 0.25 -2.55 -0.34 0.00 -1.02 0.00 0.00 57.90 54.24 1pww n TYR 579 Cb 0.85 -0.91 -0.07 0.00 -1.03 0.00 0.00 39.34 38.18 1pww n TYR 579 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1pww s THR 580 N -5.18 4.84 -1.04 -0.72 -4.23 -0.87 -5.03 115.64 103.41 1pww s THR 580 Ca 0.52 -0.26 -0.19 0.00 -1.18 0.00 0.00 61.69 60.57 1pww s THR 580 Cb 0.43 -3.17 0.11 0.00 1.34 0.00 0.00 72.50 71.21 1pww s THR 580 CO -0.34 0.44 1.33 -0.54 -0.54 0.00 0.00 174.62 174.97 1pww s LYS 581 N -1.49 3.71 -0.12 3.99 1.02 -1.26 -4.75 119.74 120.84 1pww s LYS 581 Ca 0.20 -1.72 -0.12 0.00 0.02 0.00 0.00 55.97 54.35 1pww s LYS 581 Cb -0.12 -5.13 -0.04 0.00 -0.52 0.00 0.00 37.83 32.02 1pww s LYS 581 CO 0.11 -1.95 -0.23 -0.11 -0.92 0.00 0.00 175.35 172.25 1pww n LEU 582 N 7.29 1.31 -4.76 3.17 0.00 -1.26 -4.79 117.00 117.96 1pww n LEU 582 Ca 0.31 0.24 -0.39 0.00 0.00 0.00 0.00 56.01 56.17 1pww n LEU 582 Cb 0.48 -0.67 -0.05 0.00 0.00 0.00 0.00 43.42 43.18 1pww n LEU 582 CO 0.59 -0.35 0.36 -0.63 0.00 0.00 0.00 177.39 177.36 1pww s ILE 583 N -2.27 4.82 -0.03 1.96 1.01 -1.26 -0.41 121.20 125.01 1pww s ILE 583 Ca -0.19 1.40 0.00 0.00 0.00 0.00 0.00 60.65 61.86 1pww s ILE 583 Cb 0.03 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 38.52 1pww s ILE 583 CO 0.28 0.41 0.01 0.28 0.00 0.00 0.00 174.94 175.92 1pww s THR 584 N -0.22 0.15 -0.24 2.92 -1.32 0.17 -4.91 115.64 112.19 1pww s THR 584 Ca 0.34 0.13 -0.15 0.00 -1.21 0.00 0.00 61.69 60.80 1pww s THR 584 Cb -0.19 -0.26 -0.04 0.00 -1.51 0.00 0.00 72.50 70.49 1pww s THR 584 CO 0.20 0.15 0.36 -0.36 -2.21 0.00 0.00 174.62 172.76 1pww s PHE 585 N 1.20 3.31 -0.67 9.09 2.99 -1.26 -1.44 117.98 131.20 1pww s PHE 585 Ca -0.07 0.48 0.05 0.00 0.00 0.00 0.00 56.93 57.39 1pww s PHE 585 Cb -0.13 -2.52 0.24 0.00 0.00 0.00 0.00 43.02 40.61 1pww s PHE 585 CO -0.02 -0.11 0.74 -1.71 -0.00 0.00 0.00 175.22 174.12 1pww n ASN 586 N 4.87 3.76 -4.55 1.36 2.85 -0.95 -4.98 115.26 117.61 1pww n ASN 586 Ca -0.09 -3.41 -0.36 0.00 -0.11 0.00 0.00 54.58 50.61 1pww n ASN 586 Cb 0.51 -0.70 -0.11 0.00 1.24 0.00 0.00 39.78 40.71 1pww n ASN 586 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1pww s VAL 587 N -2.35 4.73 0.00 3.44 1.01 -1.26 -3.06 120.40 122.91 1pww s VAL 587 Ca 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1pww s VAL 587 Cb 0.12 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1pww s VAL 587 CO -0.03 0.37 0.01 1.41 0.00 0.00 0.00 175.10 176.85 1pww n HIS 588 N 4.41 0.00 -3.65 5.22 8.25 -1.26 -5.02 115.22 123.16 1pww n HIS 588 Ca -0.16 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.09 1pww n HIS 588 Cb 0.52 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.64 1pww n HIS 588 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pww n ASN 589 N -0.10 2.37 0.24 0.41 5.03 -1.26 -3.88 115.26 118.07 1pww n ASN 589 Ca 0.00 -2.57 0.14 0.00 0.87 0.00 0.00 54.58 53.02 1pww n ASN 589 Cb 0.03 -0.11 0.76 0.00 -1.02 0.00 0.00 39.78 39.43 1pww n ASN 589 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 1pww h ARG 590 N 0.00 0.00 -0.62 3.52 2.47 -1.40 -2.53 114.38 115.82 1pww h ARG 590 Ca -0.29 0.00 -0.41 0.00 -1.26 0.00 0.00 59.98 58.02 1pww h ARG 590 Cb 1.10 0.00 -0.26 0.00 -1.65 0.00 0.00 29.97 29.16 1pww h ARG 590 CO 0.44 0.00 -0.18 0.98 0.56 0.00 0.00 179.97 181.77 1pww n TYR 591 N -2.55 2.09 0.00 3.04 9.36 -1.26 -4.42 117.16 123.42 1pww n TYR 591 Ca -0.02 -2.11 0.00 0.00 3.32 0.00 0.00 57.90 59.09 1pww n TYR 591 Cb 0.16 -0.62 0.00 0.00 -0.63 0.00 0.00 39.34 38.25 1pww n TYR 591 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1pww n ALA 592 N -0.94 0.00 -0.24 2.98 0.00 -0.97 -2.60 120.51 118.76 1pww n ALA 592 Ca 0.43 0.00 0.19 0.00 0.00 0.00 0.00 53.44 54.06 1pww n ALA 592 Cb 0.94 0.19 0.36 0.00 0.00 0.00 0.00 19.45 20.93 1pww n ALA 592 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pww n SER 593 N -0.81 0.14 -0.24 0.00 3.41 -0.98 0.18 113.62 115.33 1pww n SER 593 Ca 0.00 1.21 -0.05 0.00 -0.26 0.00 0.00 58.87 59.77 1pww n SER 593 Cb 0.00 -0.54 0.11 0.00 -0.26 0.00 0.00 64.21 63.52 1pww n SER 593 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1pww h ASN 594 N 0.00 1.00 -0.74 4.04 -0.73 -1.36 -0.08 115.58 117.72 1pww h ASN 594 Ca 0.56 -0.16 0.03 0.00 1.87 0.00 0.00 56.30 58.60 1pww h ASN 594 Cb 1.39 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 39.68 1pww h ASN 594 CO -0.60 0.91 0.49 0.40 -0.37 0.00 0.00 177.43 178.26 1pww h ILE 595 N 1.05 1.12 0.39 2.57 1.08 0.21 -0.82 117.51 123.11 1pww h ILE 595 Ca 0.24 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.38 1pww h ILE 595 Cb 0.24 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 1pww h ILE 595 CO -0.02 0.17 -0.19 0.58 -0.69 0.00 0.00 178.15 178.00 1pww h VAL 596 N 0.91 0.00 0.00 1.67 2.07 -1.19 -3.19 116.25 116.52 1pww h VAL 596 Ca 0.29 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1pww h VAL 596 Cb 0.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1pww h VAL 596 CO -0.08 0.00 0.06 -0.33 0.02 0.00 0.00 177.57 177.24 1pww h GLU 597 N -1.06 0.00 0.05 1.57 4.39 -0.99 -1.68 114.58 116.86 1pww h GLU 597 Ca -0.05 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.42 1pww h GLU 597 Cb 0.40 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1pww h GLU 597 CO 0.09 0.00 -1.07 0.66 -1.16 0.00 0.00 179.01 177.53 1pww h SER 598 N 0.00 0.17 -0.28 1.42 4.64 -1.21 -3.29 113.55 115.01 1pww h SER 598 Ca 0.00 -0.18 0.06 0.00 -0.47 0.00 0.00 61.79 61.20 1pww h SER 598 Cb 0.11 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.09 1pww h SER 598 CO 0.00 1.12 -0.08 0.00 -0.87 0.00 0.00 176.83 177.00 1pww h ALA 599 N 0.85 0.17 -0.25 5.18 0.00 -1.28 0.89 119.26 124.82 1pww h ALA 599 Ca -0.06 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1pww h ALA 599 Cb 1.81 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 19.76 1pww h ALA 599 CO 0.16 -0.48 -0.26 1.88 0.00 0.00 0.00 179.25 180.55 1pww h TYR 600 N -0.02 -0.71 0.00 0.00 -1.99 -1.65 -1.23 116.97 111.37 1pww h TYR 600 Ca 0.14 0.04 -0.05 0.00 2.00 0.00 0.00 58.73 60.86 1pww h TYR 600 Cb 0.23 0.35 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 1pww h TYR 600 CO -0.29 -0.34 -0.23 -0.07 -0.00 0.00 0.00 178.16 177.23 1pww h LEU 601 N -0.27 0.00 0.11 3.88 3.38 -1.45 -1.56 115.31 119.41 1pww h LEU 601 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1pww h LEU 601 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1pww h LEU 601 CO -0.40 0.23 -0.05 0.40 0.09 0.00 0.00 178.44 178.70 1pww h ILE 602 N 0.00 1.07 -0.58 1.22 2.04 -0.24 -3.11 117.51 117.90 1pww h ILE 602 Ca -0.00 -1.18 0.02 0.00 1.00 0.00 0.00 64.86 64.70 1pww h ILE 602 Cb 0.53 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1pww h ILE 602 CO 0.03 0.26 0.39 -0.07 0.00 0.00 0.00 178.15 178.76 1pww h LEU 603 N -0.75 0.63 -0.47 1.44 3.38 -1.11 -2.21 115.31 116.22 1pww h LEU 603 Ca -0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1pww h LEU 603 Cb 0.55 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1pww h LEU 603 CO 0.03 0.44 0.29 0.78 0.09 0.00 0.00 178.44 180.07 1pww h ASN 604 N 0.74 0.49 0.53 -0.43 2.35 -1.34 -1.24 115.58 116.68 1pww h ASN 604 Ca 0.22 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 1pww h ASN 604 Cb -0.00 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1pww h ASN 604 CO -0.06 0.35 -0.25 -0.33 -1.65 0.00 0.00 177.43 175.49 1pww h GLU 605 N 0.59 0.00 0.00 0.81 4.39 -1.34 -0.03 114.58 118.99 1pww h GLU 605 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1pww h GLU 605 Cb -0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1pww h GLU 605 CO -0.06 0.25 -0.08 1.87 -1.16 0.00 0.00 179.01 179.83 1pww n TRP 606 N -3.72 0.68 -0.06 4.33 -0.00 -0.85 -2.43 117.44 115.38 1pww n TRP 606 Ca -0.01 0.20 -0.19 0.00 -0.00 0.00 0.00 57.50 57.49 1pww n TRP 606 Cb 0.36 -0.80 -0.13 0.00 -0.00 0.00 0.00 31.31 30.74 1pww n TRP 606 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1pww n LYS 607 N -2.07 0.70 -0.11 5.87 4.81 -0.53 -3.93 118.16 122.91 1pww n LYS 607 Ca 0.06 0.20 0.06 0.00 -0.87 0.00 0.00 58.31 57.76 1pww n LYS 607 Cb 0.41 -1.61 0.23 0.00 0.02 0.00 0.00 35.03 34.08 1pww n LYS 607 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1pww n ASN 608 N -3.34 1.34 0.00 3.14 5.03 -0.09 -3.89 115.26 117.45 1pww n ASN 608 Ca -0.38 -1.86 0.00 0.00 0.87 0.00 0.00 54.58 53.20 1pww n ASN 608 Cb 1.02 -0.14 0.00 0.00 -1.02 0.00 0.00 39.78 39.64 1pww n ASN 608 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1pww n ASN 609 N 0.18 0.22 -4.17 6.41 4.13 -1.02 -5.04 115.26 115.96 1pww n ASN 609 Ca 0.11 -0.62 -0.20 0.00 1.68 0.00 0.00 54.58 55.56 1pww n ASN 609 Cb 0.24 0.20 -0.13 0.00 -1.54 0.00 0.00 39.78 38.55 1pww n ASN 609 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pww s ILE 610 N -0.20 1.18 -0.14 2.41 1.01 -1.25 -4.73 121.20 119.48 1pww s ILE 610 Ca 0.00 -1.22 -0.29 0.00 0.00 0.00 0.00 60.65 59.15 1pww s ILE 610 Cb 0.00 -1.10 -0.06 0.00 0.01 0.00 0.00 42.46 41.31 1pww s ILE 610 CO 0.00 -0.12 2.12 -1.10 0.00 0.00 0.00 174.94 175.84 1pww s GLN 611 N -1.53 3.47 0.37 2.79 -0.21 -1.26 -4.82 119.66 118.47 1pww s GLN 611 Ca 0.00 2.20 0.20 0.00 0.02 0.00 0.00 55.36 57.78 1pww s GLN 611 Cb -0.09 -4.30 1.23 0.00 1.00 0.00 0.00 33.01 30.85 1pww s GLN 611 CO 0.02 -1.72 1.64 0.77 -2.12 0.00 0.00 175.29 173.88 1pww h SER 612 N 13.54 0.41 1.35 5.90 0.02 -1.95 1.36 113.55 134.17 1pww h SER 612 Ca -0.43 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1pww h SER 612 Cb 1.24 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1pww h SER 612 CO 0.96 -0.21 0.00 0.44 -1.14 0.00 0.00 176.83 176.88 1pww h ASP 613 N 0.20 0.00 0.63 3.07 3.32 -2.00 -2.13 116.42 119.51 1pww h ASP 613 Ca 0.78 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.55 1pww h ASP 613 Cb 2.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.54 1pww h ASP 613 CO -0.59 0.00 -1.33 0.25 -1.72 0.00 0.00 179.24 175.85 1pww h LEU 614 N 0.00 0.30 0.16 1.55 5.85 0.14 -3.16 115.31 120.14 1pww h LEU 614 Ca 0.00 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1pww h LEU 614 Cb 0.68 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1pww h LEU 614 CO 0.00 1.29 -0.07 0.40 -0.34 0.00 0.00 178.44 179.72 1pww h ILE 615 N 0.05 0.00 -0.90 4.05 2.04 -1.06 -2.46 117.51 119.23 1pww h ILE 615 Ca -0.16 -0.05 0.17 0.00 1.00 0.00 0.00 64.86 65.82 1pww h ILE 615 Cb 1.95 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.86 1pww h ILE 615 CO 0.17 0.00 -0.26 0.11 0.00 0.00 0.00 178.15 178.16 1pww h LYS 616 N -0.26 -0.01 -0.45 2.37 1.57 -1.56 0.45 116.57 118.68 1pww h LYS 616 Ca -0.02 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1pww h LYS 616 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1pww h LYS 616 CO 0.04 -0.01 0.19 0.87 -0.57 0.00 0.00 179.45 179.97 1pww h LYS 617 N -0.01 0.38 0.14 3.15 1.79 -1.62 -2.16 116.57 118.25 1pww h LYS 617 Ca 0.41 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.85 1pww h LYS 617 Cb 0.65 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1pww h LYS 617 CO -0.93 0.25 -0.07 0.28 -1.08 0.00 0.00 179.45 177.90 1pww h VAL 618 N 0.39 0.81 0.00 0.50 2.07 -0.31 -3.12 116.25 116.58 1pww h VAL 618 Ca 0.20 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1pww h VAL 618 Cb 0.15 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1pww h VAL 618 CO -0.17 0.22 0.00 0.35 0.02 0.00 0.00 177.57 177.99 1pww n THR 619 N -4.89 0.00 -0.08 2.57 -2.24 0.13 -0.25 114.28 109.53 1pww n THR 619 Ca -0.07 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.59 1pww n THR 619 Cb 0.26 -0.82 -0.15 0.00 -2.10 0.00 0.00 70.33 67.52 1pww n THR 619 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1pww n ASN 620 N -0.92 0.66 -0.03 3.42 3.02 -0.81 -2.81 115.26 117.78 1pww n ASN 620 Ca 0.04 0.09 -0.12 0.00 -0.03 0.00 0.00 54.58 54.56 1pww n ASN 620 Cb 0.02 0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 39.53 1pww n ASN 620 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1pww h TYR 621 N 0.01 0.20 0.50 3.10 3.20 -0.55 -2.15 116.97 121.27 1pww h TYR 621 Ca -0.48 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.34 1pww h TYR 621 Cb 2.13 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 40.32 1pww h TYR 621 CO 0.01 0.38 -0.47 -0.07 -1.64 0.00 0.00 178.16 176.37 1pww h LEU 622 N -0.04 -1.27 -1.90 2.82 3.38 -1.46 -1.69 115.31 115.15 1pww h LEU 622 Ca 0.03 0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.25 1pww h LEU 622 Cb 0.29 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1pww h LEU 622 CO 0.00 -0.63 0.53 0.58 0.09 0.00 0.00 178.44 179.01 1pww h VAL 623 N -0.96 0.35 -0.05 1.22 2.07 -1.53 0.14 116.25 117.50 1pww h VAL 623 Ca -0.06 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 1pww h VAL 623 Cb 0.82 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1pww h VAL 623 CO -0.04 0.00 -0.54 -0.78 0.02 0.00 0.00 177.57 176.22 1pww h ASP 624 N 0.00 0.15 -0.63 0.57 3.58 -0.61 -2.75 116.42 116.73 1pww h ASP 624 Ca 0.24 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.53 1pww h ASP 624 Cb 1.29 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 42.25 1pww h ASP 624 CO -0.00 0.67 0.10 0.61 -2.88 0.00 0.00 179.24 177.73 1pww n GLY 625 N 0.09 3.29 2.37 -0.78 0.00 0.38 -4.92 105.19 105.61 1pww n GLY 625 Ca -0.02 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 1pww n GLY 625 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pww n ASN 626 N 0.30 -4.58 -4.29 1.61 4.13 -1.04 -4.70 115.26 106.70 1pww n ASN 626 Ca 0.33 0.27 -0.31 0.00 1.68 0.00 0.00 54.58 56.54 1pww n ASN 626 Cb 1.27 -3.40 0.20 0.00 -1.54 0.00 0.00 39.78 36.30 1pww n ASN 626 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pww n GLY 627 N -1.22 -2.46 3.28 7.41 0.00 -0.58 -4.95 105.19 106.67 1pww n GLY 627 Ca -0.14 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 1pww n GLY 627 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pww s ARG 628 N -3.65 0.64 -0.49 1.61 1.81 -1.23 -4.73 118.95 112.90 1pww s ARG 628 Ca 0.58 0.09 -0.13 0.00 -1.72 0.00 0.00 55.73 54.55 1pww s ARG 628 Cb -0.14 0.29 0.10 0.00 -0.45 0.00 0.00 34.95 34.76 1pww s ARG 628 CO 0.65 -0.16 0.41 -0.06 -0.68 0.00 0.00 175.30 175.46 1pww s PHE 629 N -0.82 3.30 -0.31 -0.53 2.99 0.45 -0.86 117.98 122.19 1pww s PHE 629 Ca -0.09 -1.34 -0.11 0.00 0.00 0.00 0.00 56.93 55.39 1pww s PHE 629 Cb -0.04 -3.45 -0.02 0.00 0.00 0.00 0.00 43.02 39.51 1pww s PHE 629 CO 0.04 -0.93 0.19 0.08 -0.00 0.00 0.00 175.22 174.59 1pww s VAL 630 N 1.54 5.01 -0.34 -0.44 1.01 0.50 -0.66 120.40 127.02 1pww s VAL 630 Ca 0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 1pww s VAL 630 Cb -0.27 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 32.65 1pww s VAL 630 CO 0.03 0.11 0.11 -0.36 0.00 0.00 0.00 175.10 174.99 1pww s PHE 631 N 1.69 3.25 0.17 5.22 0.40 -0.52 -0.26 117.98 127.92 1pww s PHE 631 Ca 0.06 -1.35 0.01 0.00 -0.60 0.00 0.00 56.93 55.04 1pww s PHE 631 Cb -0.17 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.03 1pww s PHE 631 CO 0.09 -0.71 0.04 -0.08 0.70 0.00 0.00 175.22 175.25 1pww s THR 632 N 1.42 0.43 -0.52 0.64 -1.32 -0.75 -2.24 115.64 113.30 1pww s THR 632 Ca -0.01 -1.96 0.06 0.00 -1.21 0.00 0.00 61.69 58.57 1pww s THR 632 Cb -0.19 -2.16 -0.01 0.00 -1.51 0.00 0.00 72.50 68.63 1pww s THR 632 CO 0.03 -0.41 0.46 -0.90 -2.21 0.00 0.00 174.62 171.60 1pww n ASP 633 N -0.21 0.87 -4.91 8.08 5.68 -1.17 0.06 116.55 124.94 1pww n ASP 633 Ca -0.05 -0.93 -0.27 0.00 -0.50 0.00 0.00 54.79 53.03 1pww n ASP 633 Cb 0.64 0.53 0.03 0.00 -1.14 0.00 0.00 41.12 41.17 1pww n ASP 633 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1pww s ILE 634 N -1.07 3.87 0.43 2.12 -4.36 -1.26 -4.83 121.20 116.11 1pww s ILE 634 Ca 0.05 0.10 -0.23 0.00 -0.26 0.00 0.00 60.65 60.31 1pww s ILE 634 Cb 0.05 -3.53 -0.09 0.00 1.25 0.00 0.00 42.46 40.14 1pww s ILE 634 CO 0.16 -0.56 1.05 0.42 0.24 0.00 0.00 174.94 176.25 1pww s THR 635 N -2.99 3.72 0.26 8.37 -4.23 -0.72 -4.90 115.64 115.15 1pww s THR 635 Ca 0.53 1.22 -0.01 0.00 -1.18 0.00 0.00 61.69 62.25 1pww s THR 635 Cb -0.11 -3.58 0.25 0.00 1.34 0.00 0.00 72.50 70.40 1pww s THR 635 CO 0.46 -0.08 1.72 -0.07 -0.54 0.00 0.00 174.62 176.11 1pww h LEU 636 N 2.13 0.33 0.00 4.79 4.07 -1.89 -0.67 115.31 124.07 1pww h LEU 636 Ca -0.49 0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.60 1pww h LEU 636 Cb 1.22 0.09 0.00 0.00 1.08 0.00 0.00 40.66 43.05 1pww h LEU 636 CO 0.61 0.09 0.00 -2.65 -1.08 0.00 0.00 178.44 175.41 1pww n PRO 637 N -5.00 0.00 -0.17 1.13 -0.02 -1.23 -1.30 135.00 128.40 1pww n PRO 637 Ca 0.18 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.72 1pww n PRO 637 Cb 0.50 -1.47 0.14 0.00 -0.02 0.00 0.00 33.50 32.65 1pww n PRO 637 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pww n ASN 638 N -0.93 2.78 -4.56 2.55 3.02 -0.26 -4.57 115.26 113.30 1pww n ASN 638 Ca 0.00 -2.55 -0.35 0.00 -0.03 0.00 0.00 54.58 51.65 1pww n ASN 638 Cb 0.00 -0.30 -0.11 0.00 -0.61 0.00 0.00 39.78 38.76 1pww n ASN 638 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pww s ILE 639 N -1.96 4.63 0.24 2.41 1.09 -0.42 -5.00 121.20 122.19 1pww s ILE 639 Ca 0.24 -0.08 -0.08 0.00 -1.10 0.00 0.00 60.65 59.64 1pww s ILE 639 Cb 0.19 -3.12 0.26 0.00 -1.06 0.00 0.00 42.46 38.73 1pww s ILE 639 CO 0.07 0.40 1.64 0.00 -0.10 0.00 0.00 174.94 176.95 1pww h ALA 640 N 7.34 0.76 0.00 9.38 0.00 -1.93 0.20 119.26 135.01 1pww h ALA 640 Ca -0.37 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1pww h ALA 640 Cb 1.17 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1pww h ALA 640 CO 0.64 -0.41 0.76 0.93 0.00 0.00 0.00 179.25 181.18 1pww h GLU 641 N 0.11 0.00 0.00 0.00 3.07 -1.95 0.70 114.58 116.52 1pww h GLU 641 Ca 0.39 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.12 1pww h GLU 641 Cb 0.68 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.57 1pww h GLU 641 CO -0.63 0.00 -1.24 0.94 -1.40 0.00 0.00 179.01 176.68 1pww n GLN 642 N -2.43 0.24 0.14 2.33 7.27 -0.01 -4.60 117.38 120.31 1pww n GLN 642 Ca -0.01 0.10 0.00 0.00 0.07 0.00 0.00 57.00 57.17 1pww n GLN 642 Cb 0.78 -0.92 0.30 0.00 2.41 0.00 0.00 30.24 32.81 1pww n GLN 642 CO 0.00 0.00 0.00 0.10 0.07 0.00 0.00 177.06 177.23 1pww h TYR 643 N -0.43 0.15 0.00 3.69 -0.00 -0.64 -2.79 116.97 116.95 1pww h TYR 643 Ca -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.50 1pww h TYR 643 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 36.73 37.67 1pww h TYR 643 CO -0.09 0.48 0.00 0.25 -0.00 0.00 0.00 178.16 178.80 1pww n THR 644 N -4.08 0.50 0.03 -0.90 -2.24 0.17 -2.47 114.28 105.29 1pww n THR 644 Ca -0.02 0.13 0.02 0.00 -2.27 0.00 0.00 64.05 61.91 1pww n THR 644 Cb 0.43 -0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 67.69 1pww n THR 644 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pww n HIS 645 N -1.20 0.00 -0.87 4.78 8.25 -1.06 -5.05 115.22 120.06 1pww n HIS 645 Ca 0.07 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.20 1pww n HIS 645 Cb 0.08 -0.08 0.15 0.00 1.12 0.00 0.00 29.99 31.25 1pww n HIS 645 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1pww n GLN 646 N -1.56 -0.16 -0.12 -0.41 6.02 -1.03 -4.96 117.38 115.16 1pww n GLN 646 Ca -0.01 0.03 -0.26 0.00 -0.01 0.00 0.00 57.00 56.75 1pww n GLN 646 Cb 0.11 -2.39 -0.11 0.00 1.02 0.00 0.00 30.24 28.86 1pww n GLN 646 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1pww n ASP 647 N -3.74 1.91 -4.41 1.08 8.00 -1.26 -4.95 116.55 113.18 1pww n ASP 647 Ca 0.13 0.38 -0.30 0.00 0.71 0.00 0.00 54.79 55.71 1pww n ASP 647 Cb 0.51 -0.89 -0.13 0.00 -0.02 0.00 0.00 41.12 40.59 1pww n ASP 647 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1pww s GLU 648 N -2.44 1.65 0.40 -1.24 0.41 -1.26 -5.02 118.70 111.21 1pww s GLU 648 Ca -0.34 -1.22 0.13 0.00 -0.41 0.00 0.00 54.97 53.13 1pww s GLU 648 Cb 0.10 -2.00 0.84 0.00 -1.78 0.00 0.00 34.13 31.29 1pww s GLU 648 CO 0.54 0.48 1.90 0.82 -0.49 0.00 0.00 175.26 178.52 1pww h ILE 649 N 3.88 1.20 0.00 -1.63 2.04 -1.92 -1.73 117.51 119.35 1pww h ILE 649 Ca -0.49 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.41 1pww h ILE 649 Cb 1.16 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 1pww h ILE 649 CO 0.43 0.28 0.00 0.00 0.00 0.00 0.00 178.15 178.85 1pww n TYR 650 N -4.21 0.00 -1.35 1.37 0.18 -1.26 -2.59 117.16 109.30 1pww n TYR 650 Ca -0.02 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.47 1pww n TYR 650 Cb 0.33 -0.04 0.11 0.00 -0.38 0.00 0.00 39.34 39.35 1pww n TYR 650 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1pww n GLU 651 N -1.04 2.57 -3.87 -3.48 1.02 -0.65 -4.79 120.64 110.39 1pww n GLU 651 Ca 0.15 -3.26 -0.30 0.00 -0.02 0.00 0.00 57.16 53.73 1pww n GLU 651 Cb 0.09 -2.23 -0.04 0.00 -0.02 0.00 0.00 31.44 29.24 1pww n GLU 651 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1pww s GLN 652 N -3.62 3.47 -0.02 3.49 -2.07 -1.07 -4.92 119.66 114.93 1pww s GLN 652 Ca 0.61 -0.40 0.03 0.00 -1.82 0.00 0.00 55.36 53.77 1pww s GLN 652 Cb 0.49 -2.98 -0.00 0.00 -1.09 0.00 0.00 33.01 29.42 1pww s GLN 652 CO 0.03 0.56 -0.11 0.08 -1.32 0.00 0.00 175.29 174.53 1pww s VAL 653 N -1.59 0.93 -0.05 3.63 1.01 -1.26 -5.04 120.40 118.03 1pww s VAL 653 Ca 0.36 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1pww s VAL 653 Cb -0.12 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1pww s VAL 653 CO 0.28 0.27 -0.15 -2.28 0.00 0.00 0.00 175.10 173.22 1pww s HIS 654 N -0.05 1.56 0.04 5.22 5.04 -1.26 -3.57 115.29 122.27 1pww s HIS 654 Ca 0.01 -0.47 -0.27 0.00 -1.54 0.00 0.00 55.06 52.78 1pww s HIS 654 Cb -0.07 -1.07 0.10 0.00 0.04 0.00 0.00 32.58 31.58 1pww s HIS 654 CO 0.00 -0.18 1.21 -1.54 -2.34 0.00 0.00 174.74 171.90 1pww s SER 655 N 0.18 -0.02 0.19 9.88 1.04 -1.26 -5.03 113.70 118.68 1pww s SER 655 Ca -0.06 -0.30 -0.13 0.00 0.48 0.00 0.00 55.95 55.93 1pww s SER 655 Cb -0.12 0.25 0.21 0.00 0.10 0.00 0.00 66.02 66.45 1pww s SER 655 CO 0.02 -0.48 1.67 0.50 0.98 0.00 0.00 173.24 175.93 1pww h LYS 656 N 2.00 0.09 -4.12 4.02 3.11 -1.91 -3.38 116.57 116.38 1pww h LYS 656 Ca -0.25 -0.01 -0.14 0.00 -2.81 0.00 0.00 60.65 57.44 1pww h LYS 656 Cb 1.20 -0.02 -0.13 0.00 -1.00 0.00 0.00 32.23 32.27 1pww h LYS 656 CO 0.31 0.06 -0.45 0.20 -2.81 0.00 0.00 179.45 176.77 1pww s GLY 657 N -3.21 0.75 -0.28 5.01 0.00 -1.26 -0.32 107.32 108.01 1pww s GLY 657 Ca -0.14 -1.16 -0.20 0.00 0.00 0.00 0.00 44.72 43.21 1pww s GLY 657 CO 0.73 -1.06 0.98 -2.27 0.00 0.00 0.00 173.10 171.48 1pww s LEU 658 N -3.02 -0.51 -0.16 0.66 1.98 -0.25 -4.99 118.68 112.39 1pww s LEU 658 Ca 0.22 0.90 -0.07 0.00 -2.89 0.00 0.00 54.13 52.29 1pww s LEU 658 Cb 0.05 1.86 -0.04 0.00 0.66 0.00 0.00 46.19 48.72 1pww s LEU 658 CO 0.02 -0.15 0.07 -0.47 -1.89 0.00 0.00 176.35 173.94 1pww s TYR 659 N 0.81 3.30 -0.31 5.38 5.04 -1.26 -1.25 117.35 129.05 1pww s TYR 659 Ca -0.03 0.17 -0.02 0.00 -2.44 0.00 0.00 57.07 54.75 1pww s TYR 659 Cb -0.04 -2.03 0.06 0.00 0.35 0.00 0.00 41.96 40.29 1pww s TYR 659 CO -0.11 0.28 0.03 0.08 -1.34 0.00 0.00 175.55 174.48 1pww s VAL 660 N 0.05 3.05 0.08 3.14 1.01 -0.69 -5.01 120.40 122.03 1pww s VAL 660 Ca 0.06 -1.46 -0.31 0.00 0.00 0.00 0.00 61.98 60.27 1pww s VAL 660 Cb -0.12 -2.80 -0.16 0.00 0.00 0.00 0.00 36.38 33.30 1pww s VAL 660 CO 0.01 -0.18 1.63 -0.65 0.00 0.00 0.00 175.10 175.91 1pww h PRO 661 N 8.01 -0.71 0.00 2.72 0.11 -1.94 0.62 132.00 140.80 1pww h PRO 661 Ca -0.20 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1pww h PRO 661 Cb 1.06 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1pww h PRO 661 CO 0.55 -0.48 0.26 0.93 -0.21 0.00 0.00 178.00 179.06 1pww h GLU 662 N -0.74 0.00 0.00 1.05 3.07 -1.95 0.50 114.58 116.52 1pww h GLU 662 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1pww h GLU 662 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1pww h GLU 662 CO 0.05 0.00 -0.18 -1.13 -1.40 0.00 0.00 179.01 176.35 1pww n SER 663 N -2.53 0.69 -3.70 1.42 3.41 -1.09 -5.01 113.62 106.81 1pww n SER 663 Ca -0.02 -0.45 -0.21 0.00 -0.26 0.00 0.00 58.87 57.93 1pww n SER 663 Cb 0.30 1.01 0.03 0.00 -0.26 0.00 0.00 64.21 65.29 1pww n SER 663 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pww n ARG 664 N -1.09 -4.93 -4.14 4.33 1.74 0.21 -3.09 116.66 109.70 1pww n ARG 664 Ca 0.00 0.62 -0.16 0.00 -0.77 0.00 0.00 57.85 57.54 1pww n ARG 664 Cb 0.02 -5.19 -0.12 0.00 -1.02 0.00 0.00 32.46 26.15 1pww n ARG 664 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1pww s SER 665 N -4.35 1.39 -0.20 0.55 0.01 -0.99 -3.58 113.70 106.54 1pww s SER 665 Ca 0.01 -0.63 -0.05 0.00 1.31 0.00 0.00 55.95 56.59 1pww s SER 665 Cb -0.01 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.18 1pww s SER 665 CO 0.81 -0.14 0.01 -0.63 0.41 0.00 0.00 173.24 173.70 1pww s ILE 666 N -1.50 4.07 -0.17 1.44 1.01 -0.04 -1.70 121.20 124.30 1pww s ILE 666 Ca -0.03 -0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.30 1pww s ILE 666 Cb -0.09 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 1pww s ILE 666 CO 0.01 0.43 -0.01 -0.76 0.00 0.00 0.00 174.94 174.61 1pww s LEU 667 N 0.93 3.33 -0.18 2.97 1.43 -0.38 -0.37 118.68 126.41 1pww s LEU 667 Ca 0.02 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1pww s LEU 667 Cb -0.14 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.30 1pww s LEU 667 CO 0.02 0.14 -0.09 -0.22 0.23 0.00 0.00 176.35 176.43 1pww s LEU 668 N 0.57 2.00 -0.29 1.79 2.96 0.64 -1.09 118.68 125.26 1pww s LEU 668 Ca -0.01 -0.78 -0.25 0.00 -0.22 0.00 0.00 54.13 52.87 1pww s LEU 668 Cb -0.14 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.43 1pww s LEU 668 CO 0.02 -0.15 0.86 -2.28 -1.32 0.00 0.00 176.35 173.48 1pww s HIS 669 N 1.48 3.22 0.01 5.38 5.65 0.57 -1.81 115.29 129.79 1pww s HIS 669 Ca -0.00 0.97 -0.20 0.00 0.25 0.00 0.00 55.06 56.08 1pww s HIS 669 Cb -0.16 -3.28 -0.11 0.00 -1.18 0.00 0.00 32.58 27.85 1pww s HIS 669 CO -0.08 -0.57 1.06 0.78 -0.65 0.00 0.00 174.74 175.28 1pww h GLY 670 N 9.53 -0.75 -0.81 1.59 0.00 -0.66 -3.36 103.07 108.60 1pww h GLY 670 Ca -0.23 0.28 0.32 0.00 0.00 0.00 0.00 47.33 47.69 1pww h GLY 670 CO 0.92 -0.27 0.30 -2.55 0.00 0.00 0.00 176.54 174.93 1pww h PRO 671 N -0.89 0.08 0.00 4.80 0.11 -1.79 -3.44 132.00 130.87 1pww h PRO 671 Ca -0.07 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1pww h PRO 671 Cb 0.55 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1pww h PRO 671 CO 0.12 0.05 0.00 -1.13 -0.21 0.00 0.00 178.00 176.84 1pww n SER 672 N -5.31 -0.26 -3.30 -2.05 3.41 -1.26 -1.18 113.62 103.68 1pww n SER 672 Ca 0.29 -0.08 -0.07 0.00 -0.26 0.00 0.00 58.87 58.74 1pww n SER 672 Cb 0.94 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.83 1pww n SER 672 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1pww s LYS 673 N -0.64 0.41 0.61 4.33 2.47 -1.26 -3.74 119.74 121.91 1pww s LYS 673 Ca 0.00 0.47 -0.17 0.00 -1.56 0.00 0.00 55.97 54.71 1pww s LYS 673 Cb 0.00 -0.25 -0.02 0.00 -1.46 0.00 0.00 37.83 36.09 1pww s LYS 673 CO 0.00 -0.79 1.12 0.20 0.16 0.00 0.00 175.35 176.04 1pww s GLY 674 N 2.60 2.34 -0.47 5.54 0.00 -1.26 -4.72 107.32 111.35 1pww s GLY 674 Ca 0.13 0.66 -0.04 0.00 0.00 0.00 0.00 44.72 45.46 1pww s GLY 674 CO -0.22 1.01 1.05 -0.62 0.00 0.00 0.00 173.10 174.33 1pww n VAL 675 N -1.98 0.00 -1.63 1.40 0.31 -1.26 -2.55 118.33 112.62 1pww n VAL 675 Ca 0.11 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1pww n VAL 675 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 1pww n VAL 675 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1pww n GLU 676 N 2.77 -0.24 -3.30 5.55 1.02 -1.26 -4.98 120.64 120.20 1pww n GLU 676 Ca 0.32 0.40 -0.10 0.00 -0.02 0.00 0.00 57.16 57.76 1pww n GLU 676 Cb 0.09 -0.42 -0.05 0.00 -0.02 0.00 0.00 31.44 31.03 1pww n GLU 676 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pww s LEU 677 N -0.33 -0.67 0.00 -4.62 1.43 -1.06 -5.04 118.68 108.39 1pww s LEU 677 Ca 0.00 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1pww s LEU 677 Cb 0.00 1.09 0.00 0.00 0.03 0.00 0.00 46.19 47.31 1pww s LEU 677 CO 0.00 -0.28 0.37 -2.11 0.23 0.00 0.00 176.35 174.56 1pww n ARG 678 N 4.71 0.00 -3.60 1.70 1.85 -1.26 -4.66 116.66 115.40 1pww n ARG 678 Ca 0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.87 1pww n ARG 678 Cb 0.49 -1.80 -0.02 0.00 -1.05 0.00 0.00 32.46 30.08 1pww n ARG 678 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1pww s ASN 679 N -1.70 -0.22 0.28 2.89 6.03 -1.26 -5.01 114.94 115.96 1pww s ASN 679 Ca 0.00 -0.12 0.01 0.00 -1.03 0.00 0.00 52.86 51.72 1pww s ASN 679 Cb 0.00 0.32 0.55 0.00 -3.03 0.00 0.00 41.25 39.08 1pww s ASN 679 CO 0.00 -0.55 1.83 0.44 -2.03 0.00 0.00 177.10 176.79 1pww h ASP 680 N 2.00 0.90 0.02 3.54 3.45 -1.97 -3.01 116.42 121.35 1pww h ASP 680 Ca -0.21 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.30 1pww h ASP 680 Cb 1.21 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.85 1pww h ASP 680 CO 0.27 0.47 -0.10 0.28 -1.57 0.00 0.00 179.24 178.59 1pww h SER 681 N 0.97 -0.31 -1.00 6.45 0.02 -1.94 -1.71 113.55 116.03 1pww h SER 681 Ca 0.49 0.03 0.33 0.00 -0.84 0.00 0.00 61.79 61.81 1pww h SER 681 Cb 0.50 0.12 -0.15 0.00 0.14 0.00 0.00 62.40 63.00 1pww h SER 681 CO -0.27 -0.11 0.57 -0.33 -1.14 0.00 0.00 176.83 175.55 1pww h GLU 682 N -0.14 0.29 -0.39 3.45 5.08 -1.91 0.14 114.58 121.10 1pww h GLU 682 Ca -0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1pww h GLU 682 Cb 0.14 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1pww h GLU 682 CO -0.06 0.19 0.21 0.78 -1.00 0.00 0.00 179.01 179.13 1pww h GLY 683 N 0.30 0.59 1.00 -3.84 0.00 -1.30 0.43 103.07 100.25 1pww h GLY 683 Ca 0.74 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 1pww h GLY 683 CO -0.62 0.26 -0.14 -2.75 0.00 0.00 0.00 176.54 173.29 1pww h PHE 684 N 0.50 -0.36 -0.79 5.60 3.57 0.11 -2.23 116.94 123.35 1pww h PHE 684 Ca 0.14 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1pww h PHE 684 Cb 0.07 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 1pww h PHE 684 CO -0.02 -0.22 0.46 0.82 -2.23 0.00 0.00 178.31 177.12 1pww h ILE 685 N -0.39 0.97 -0.88 1.41 2.04 -1.18 0.47 117.51 119.95 1pww h ILE 685 Ca -0.04 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1pww h ILE 685 Cb 0.30 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 1pww h ILE 685 CO 0.07 0.15 0.54 -0.74 0.00 0.00 0.00 178.15 178.17 1pww h HIS 686 N 0.81 1.15 0.00 1.37 -0.00 -0.76 -1.24 115.15 116.48 1pww h HIS 686 Ca 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.72 1pww h HIS 686 Cb 0.25 -0.38 -0.00 0.00 -0.00 0.00 0.00 27.41 27.27 1pww h HIS 686 CO -0.06 0.76 -0.06 0.00 -0.00 0.00 0.00 177.93 178.57 1pww h PHE 688 N 0.00 0.07 -0.89 0.00 3.57 0.17 -2.68 116.94 117.18 1pww h PHE 688 Ca -0.00 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.53 1pww h PHE 688 Cb 0.66 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 1pww h PHE 688 CO 0.00 0.70 0.55 0.78 -2.23 0.00 0.00 178.31 178.11 1pww h GLY 689 N 1.87 1.34 1.38 2.40 0.00 -0.65 0.11 103.07 109.53 1pww h GLY 689 Ca -0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 1pww h GLY 689 CO 0.09 0.27 0.09 0.45 0.00 0.00 0.00 176.54 177.44 1pww h HIS 690 N 1.00 0.80 -0.13 5.60 3.86 -1.47 0.23 115.15 125.04 1pww h HIS 690 Ca 0.39 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.52 1pww h HIS 690 Cb 0.19 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1pww h HIS 690 CO -0.03 0.70 0.08 0.00 0.86 0.00 0.00 177.93 179.54 1pww h ALA 691 N 1.36 0.17 -0.90 2.45 0.00 -0.69 -0.76 119.26 120.89 1pww h ALA 691 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1pww h ALA 691 Cb 0.32 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1pww h ALA 691 CO 0.00 -0.31 0.51 0.28 0.00 0.00 0.00 179.25 179.73 1pww h VAL 692 N 0.14 1.26 0.00 0.00 2.07 -0.42 0.70 116.25 119.99 1pww h VAL 692 Ca 0.05 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1pww h VAL 692 Cb 0.04 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1pww h VAL 692 CO -0.01 0.28 -0.09 -0.78 0.02 0.00 0.00 177.57 176.99 1pww h ASP 693 N 1.26 0.00 0.12 0.57 -0.00 -0.67 0.41 116.42 118.10 1pww h ASP 693 Ca 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.34 1pww h ASP 693 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1pww h ASP 693 CO -0.05 0.09 -0.06 -0.78 -0.00 0.00 0.00 179.24 178.44 1pww h ASP 694 N 0.00 -0.13 -0.92 2.28 1.82 0.60 -2.98 116.42 117.09 1pww h ASP 694 Ca -0.00 -0.33 -0.01 0.00 -0.39 0.00 0.00 57.03 56.30 1pww h ASP 694 Cb 0.38 0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.38 1pww h ASP 694 CO 0.01 0.47 0.53 0.22 -1.61 0.00 0.00 179.24 178.86 1pww h TYR 695 N -0.96 1.24 0.00 0.28 3.20 -1.02 -2.03 116.97 117.68 1pww h TYR 695 Ca -0.02 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1pww h TYR 695 Cb 0.45 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1pww h TYR 695 CO 0.09 0.84 0.00 0.00 -1.64 0.00 0.00 178.16 177.45 1pww n ALA 696 N -2.40 0.00 -0.25 1.82 0.00 0.12 -1.79 120.51 118.00 1pww n ALA 696 Ca 0.10 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.86 1pww n ALA 696 Cb 0.08 0.09 0.62 0.00 0.00 0.00 0.00 19.45 20.23 1pww n ALA 696 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1pww h GLY 697 N 0.00 0.00 0.86 0.00 0.00 -1.60 0.20 103.07 102.54 1pww h GLY 697 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pww h GLY 697 CO 0.00 0.00 -0.05 -1.82 0.00 0.00 0.00 176.54 174.67 1pww h TYR 698 N 0.00 -0.12 -0.02 5.60 -0.00 -0.83 -2.64 116.97 118.96 1pww h TYR 698 Ca 0.52 -0.00 0.01 0.00 -0.00 0.00 0.00 58.73 59.25 1pww h TYR 698 Cb 2.60 0.04 -0.00 0.00 -0.00 0.00 0.00 36.73 39.36 1pww h TYR 698 CO 0.00 0.05 0.17 -0.07 -0.00 0.00 0.00 178.16 178.31 1pww h LEU 699 N -0.27 0.00 0.00 2.82 3.38 0.22 -3.07 115.31 118.39 1pww h LEU 699 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1pww h LEU 699 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1pww h LEU 699 CO 0.02 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.73 1pww n LEU 700 N -3.07 0.00 -3.90 1.67 4.77 -0.99 -4.54 117.00 110.93 1pww n LEU 700 Ca -0.02 0.09 -0.30 0.00 -0.03 0.00 0.00 56.01 55.75 1pww n LEU 700 Cb 0.24 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 1pww n LEU 700 CO 0.18 0.00 0.06 -0.90 -1.33 0.00 0.00 177.39 175.40 1pww n ASP 701 N -0.09 3.36 0.11 -1.43 5.68 -1.24 -4.96 116.55 117.98 1pww n ASP 701 Ca 0.00 -3.22 0.08 0.00 -0.50 0.00 0.00 54.79 51.15 1pww n ASP 701 Cb 0.00 -0.81 0.13 0.00 -1.14 0.00 0.00 41.12 39.30 1pww n ASP 701 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1pww n LYS 702 N 1.91 0.02 0.33 0.11 5.02 -1.16 -0.22 118.16 124.17 1pww n LYS 702 Ca 0.21 0.80 0.21 0.00 -2.02 0.00 0.00 58.31 57.51 1pww n LYS 702 Cb 0.36 -2.09 1.12 0.00 -0.02 0.00 0.00 35.03 34.40 1pww n LYS 702 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1pww h ASN 703 N 0.00 0.00 -1.40 4.39 -1.24 -1.93 -3.35 115.58 112.05 1pww h ASN 703 Ca 0.15 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 57.05 1pww h ASN 703 Cb 1.92 0.00 -0.25 0.00 0.73 0.00 0.00 38.32 40.72 1pww h ASN 703 CO -0.00 0.00 -0.48 0.00 -1.29 0.00 0.00 177.43 175.65 1pww s GLN 704 N -4.21 0.53 0.11 6.67 -2.07 0.70 -5.12 119.66 116.26 1pww s GLN 704 Ca -0.05 0.16 -0.32 0.00 -1.82 0.00 0.00 55.36 53.33 1pww s GLN 704 Cb 0.13 -0.10 -0.11 0.00 -1.09 0.00 0.00 33.01 31.83 1pww s GLN 704 CO 0.41 -1.07 1.81 -1.13 -1.32 0.00 0.00 175.29 173.98 1pww n SER 705 N 5.19 3.86 -4.21 12.60 3.41 -1.26 -4.73 113.62 128.48 1pww n SER 705 Ca 0.04 1.00 -0.12 0.00 -0.26 0.00 0.00 58.87 59.53 1pww n SER 705 Cb 0.51 -1.51 -0.10 0.00 -0.26 0.00 0.00 64.21 62.85 1pww n SER 705 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pww s ASP 706 N 2.60 0.90 0.02 4.04 -1.08 -1.26 -4.97 116.67 116.92 1pww s ASP 706 Ca 0.82 -1.19 -0.27 0.00 -0.52 0.00 0.00 52.55 51.40 1pww s ASP 706 Cb -0.53 0.18 -0.05 0.00 -1.46 0.00 0.00 42.92 41.07 1pww s ASP 706 CO 0.39 -0.63 0.83 -0.76 0.52 0.00 0.00 175.17 175.52 1pww s LEU 707 N -3.13 4.41 0.58 -1.34 1.43 -1.26 -3.13 118.68 116.24 1pww s LEU 707 Ca 0.24 1.49 0.39 0.00 -1.03 0.00 0.00 54.13 55.22 1pww s LEU 707 Cb 0.07 -3.33 1.97 0.00 0.03 0.00 0.00 46.19 44.92 1pww s LEU 707 CO 0.03 -0.09 2.17 1.62 0.23 0.00 0.00 176.35 180.32 1pww h VAL 708 N 4.40 0.00 0.00 -1.59 3.04 -1.81 0.11 116.25 120.40 1pww h VAL 708 Ca -0.42 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 1pww h VAL 708 Cb 1.21 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1pww h VAL 708 CO 0.73 0.00 0.00 1.07 -1.01 0.00 0.00 177.57 178.36 1pww n THR 709 N -2.96 0.00 -0.04 3.17 5.66 -1.26 -2.59 114.28 116.26 1pww n THR 709 Ca -0.02 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.01 1pww n THR 709 Cb 0.14 -0.21 -0.16 0.00 -1.55 0.00 0.00 70.33 68.55 1pww n THR 709 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1pww n ASN 710 N -0.69 0.08 -4.33 1.09 2.85 0.39 -4.57 115.26 110.08 1pww n ASN 710 Ca 0.09 0.03 -0.42 0.00 -0.11 0.00 0.00 54.58 54.17 1pww n ASN 710 Cb 0.04 1.46 -0.00 0.00 1.24 0.00 0.00 39.78 42.52 1pww n ASN 710 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1pww n SER 711 N -2.50 -2.47 -0.26 1.20 3.41 -1.07 -4.68 113.62 107.25 1pww n SER 711 Ca -0.15 0.85 -0.01 0.00 -0.26 0.00 0.00 58.87 59.31 1pww n SER 711 Cb 0.81 -0.92 0.11 0.00 -0.26 0.00 0.00 64.21 63.96 1pww n SER 711 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1pww h LYS 712 N 0.44 0.75 0.61 4.33 1.63 -1.95 -1.90 116.57 120.49 1pww h LYS 712 Ca -0.36 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.36 1pww h LYS 712 Cb 1.44 -0.17 0.01 0.00 -0.60 0.00 0.00 32.23 32.91 1pww h LYS 712 CO 0.48 0.50 -0.29 -0.22 -3.45 0.00 0.00 179.45 176.47 1pww h LYS 713 N 0.77 -0.79 -0.60 1.90 3.64 -1.96 -3.19 116.57 116.34 1pww h LYS 713 Ca 0.33 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.77 1pww h LYS 713 Cb 0.19 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1pww h LYS 713 CO -0.18 -0.53 0.39 0.35 -2.27 0.00 0.00 179.45 177.21 1pww h PHE 714 N -0.82 0.73 -0.23 1.91 3.57 -1.82 -1.18 116.94 119.10 1pww h PHE 714 Ca -0.08 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.50 1pww h PHE 714 Cb 0.63 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1pww h PHE 714 CO -0.03 0.45 0.48 0.82 -2.23 0.00 0.00 178.31 177.79 1pww h ILE 715 N 0.78 0.15 0.22 1.41 2.04 -1.34 0.61 117.51 121.39 1pww h ILE 715 Ca 0.23 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.74 1pww h ILE 715 Cb -0.06 0.57 0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1pww h ILE 715 CO -0.06 0.00 -1.62 0.44 0.00 0.00 0.00 178.15 176.91 1pww h ASP 716 N 0.00 0.74 -0.65 1.72 3.45 -1.21 -2.36 116.42 118.11 1pww h ASP 716 Ca 0.11 -0.93 0.07 0.00 0.43 0.00 0.00 57.03 56.71 1pww h ASP 716 Cb 1.07 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 39.56 1pww h ASP 716 CO -0.00 1.75 0.43 0.40 -1.57 0.00 0.00 179.24 180.25 1pww h ILE 717 N 0.13 0.98 0.00 0.35 5.03 0.38 0.53 117.51 124.91 1pww h ILE 717 Ca -0.30 -0.21 -0.04 0.00 -0.12 0.00 0.00 64.86 64.18 1pww h ILE 717 Cb 2.14 0.31 -0.01 0.00 -3.03 0.00 0.00 36.82 36.24 1pww h ILE 717 CO 0.23 0.11 -0.21 0.15 -0.68 0.00 0.00 178.15 177.75 1pww h PHE 718 N 0.62 0.00 0.00 1.37 3.04 -1.21 0.12 116.94 120.88 1pww h PHE 718 Ca 0.29 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.24 1pww h PHE 718 Cb 0.33 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.84 1pww h PHE 718 CO -0.00 0.21 0.00 0.87 -2.02 0.00 0.00 178.31 177.37 1pww h LYS 719 N 0.00 0.00 0.00 1.11 6.56 0.63 -2.98 116.57 121.89 1pww h LYS 719 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1pww h LYS 719 Cb 0.99 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.65 1pww h LYS 719 CO 0.03 0.00 -0.32 -0.85 -2.06 0.00 0.00 179.45 176.25 1pww n GLU 720 N -2.99 1.45 -0.01 3.15 0.28 -1.16 -4.87 120.64 116.50 1pww n GLU 720 Ca -0.01 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.00 1pww n GLU 720 Cb 0.17 -0.66 -0.12 0.00 1.43 0.00 0.00 31.44 32.26 1pww n GLU 720 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1pww n GLU 721 N -0.95 0.65 0.22 3.44 1.02 0.02 -4.43 120.64 120.61 1pww n GLU 721 Ca 0.00 0.06 0.03 0.00 -0.02 0.00 0.00 57.16 57.23 1pww n GLU 721 Cb 0.15 -1.67 0.16 0.00 -0.02 0.00 0.00 31.44 30.06 1pww n GLU 721 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1pww h GLY 722 N 3.87 0.00 -1.75 0.62 0.00 -1.58 0.35 103.07 104.59 1pww h GLY 722 Ca -0.21 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1pww h GLY 722 CO 0.03 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.01 1pww n SER 723 N -2.09 3.54 -0.08 0.19 7.64 -1.26 -3.82 113.62 117.74 1pww n SER 723 Ca -0.00 -3.21 -0.05 0.00 1.01 0.00 0.00 58.87 56.61 1pww n SER 723 Cb 0.68 -0.57 -0.16 0.00 -1.01 0.00 0.00 64.21 63.14 1pww n SER 723 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pww n ASN 724 N -0.68 0.01 0.00 6.43 4.13 0.12 -4.95 115.26 120.32 1pww n ASN 724 Ca 0.25 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.52 1pww n ASN 724 Cb 0.95 1.22 0.00 0.00 -1.54 0.00 0.00 39.78 40.41 1pww n ASN 724 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1pww n LEU 725 N -2.64 0.00 -4.88 3.41 4.77 -1.26 -4.98 117.00 111.41 1pww n LEU 725 Ca -0.26 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.41 1pww n LEU 725 Cb 1.02 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.06 1pww n LEU 725 CO 0.44 0.00 -0.18 0.42 -1.33 0.00 0.00 177.39 176.74 1pww s THR 726 N 1.09 5.19 0.36 -5.08 -4.23 -1.26 -4.99 115.64 106.71 1pww s THR 726 Ca 0.00 -0.46 0.05 0.00 -1.18 0.00 0.00 61.69 60.09 1pww s THR 726 Cb 0.00 -3.52 0.28 0.00 1.34 0.00 0.00 72.50 70.61 1pww s THR 726 CO 0.00 0.15 1.98 0.77 -0.54 0.00 0.00 174.62 176.98 1pww h SER 727 N 3.19 0.68 -0.37 3.99 4.64 -1.96 -0.44 113.55 123.29 1pww h SER 727 Ca -0.46 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.78 1pww h SER 727 Cb 1.16 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 1pww h SER 727 CO 0.73 0.46 -0.06 0.22 -0.87 0.00 0.00 176.83 177.31 1pww h TYR 728 N 0.79 0.85 0.00 4.77 3.20 -1.97 -1.61 116.97 123.00 1pww h TYR 728 Ca 0.29 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1pww h TYR 728 Cb 0.15 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 1pww h TYR 728 CO -0.00 0.82 -0.01 0.78 -1.64 0.00 0.00 178.16 178.11 1pww h GLY 729 N 0.97 0.00 0.75 1.82 0.00 -1.31 -2.15 103.07 103.16 1pww h GLY 729 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1pww h GLY 729 CO 0.03 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.44 1pww n ARG 730 N -3.10 0.65 -0.07 4.80 0.63 -0.61 -2.91 116.66 116.05 1pww n ARG 730 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1pww n ARG 730 Cb 0.28 -1.38 -0.06 0.00 0.45 0.00 0.00 32.46 31.75 1pww n ARG 730 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1pww h THR 731 N 0.00 1.33 -1.63 5.15 2.02 -1.47 -3.49 112.91 114.82 1pww h THR 731 Ca 0.00 -1.38 0.12 0.00 0.77 0.00 0.00 66.41 65.92 1pww h THR 731 Cb 0.00 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1pww h THR 731 CO 0.00 0.42 0.33 -0.46 0.37 0.00 0.00 175.52 176.18 1pww n ASN 732 N -4.43 -0.51 0.00 4.18 0.23 -1.24 -5.03 115.26 108.47 1pww n ASN 732 Ca -0.05 -1.15 0.00 0.00 -0.53 0.00 0.00 54.58 52.85 1pww n ASN 732 Cb 0.41 0.80 0.00 0.00 -2.08 0.00 0.00 39.78 38.91 1pww n ASN 732 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1pww n GLU 733 N -0.34 0.00 -0.31 -3.83 -0.58 -1.26 -0.46 120.64 113.86 1pww n GLU 733 Ca 0.01 0.42 0.29 0.00 -0.42 0.00 0.00 57.16 57.47 1pww n GLU 733 Cb 0.22 -1.33 0.64 0.00 -0.57 0.00 0.00 31.44 30.40 1pww n GLU 733 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pww h ALA 734 N -1.88 2.70 0.00 0.62 0.00 -1.96 0.73 119.26 119.48 1pww h ALA 734 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1pww h ALA 734 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1pww h ALA 734 CO 0.00 -1.06 -0.56 0.93 0.00 0.00 0.00 179.25 178.56 1pww h GLU 735 N 0.17 0.00 0.25 0.00 4.39 -1.84 -2.42 114.58 115.13 1pww h GLU 735 Ca 0.57 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.93 1pww h GLU 735 Cb 1.88 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 30.57 1pww h GLU 735 CO -0.14 0.22 -1.47 0.35 -1.16 0.00 0.00 179.01 176.81 1pww h PHE 736 N 0.00 0.95 -0.33 4.33 3.57 0.30 -2.57 116.94 123.18 1pww h PHE 736 Ca -0.03 -0.69 -0.02 0.00 3.53 0.00 0.00 57.97 60.77 1pww h PHE 736 Cb 1.22 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 1pww h PHE 736 CO 0.00 1.54 0.15 0.35 -2.23 0.00 0.00 178.31 178.12 1pww h PHE 737 N 0.14 0.50 -0.27 0.41 3.57 -0.29 0.89 116.94 121.89 1pww h PHE 737 Ca -0.25 -0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.05 1pww h PHE 737 Cb 2.16 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 40.75 1pww h PHE 737 CO 0.12 0.45 -0.53 0.00 -2.23 0.00 0.00 178.31 176.12 1pww h ALA 738 N 1.00 0.55 -0.35 2.41 0.00 -1.54 0.27 119.26 121.59 1pww h ALA 738 Ca 0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1pww h ALA 738 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1pww h ALA 738 CO -0.01 0.68 0.11 0.93 0.00 0.00 0.00 179.25 180.96 1pww h GLU 739 N 0.61 0.54 0.17 0.00 4.39 -1.35 0.25 114.58 119.19 1pww h GLU 739 Ca 0.02 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1pww h GLU 739 Cb 1.12 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1pww h GLU 739 CO 0.11 0.57 -0.08 0.00 -1.16 0.00 0.00 179.01 178.45 1pww h ALA 740 N 0.95 -0.23 -0.48 3.43 0.00 -0.78 -1.97 119.26 120.19 1pww h ALA 740 Ca 0.11 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1pww h ALA 740 Cb 0.25 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 1pww h ALA 740 CO -0.00 -0.48 -0.33 0.35 0.00 0.00 0.00 179.25 178.79 1pww h PHE 741 N -0.53 -0.91 -0.13 0.00 3.57 -0.34 -1.22 116.94 117.38 1pww h PHE 741 Ca -0.02 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1pww h PHE 741 Cb 0.40 0.47 -0.07 0.00 2.79 0.00 0.00 35.95 39.55 1pww h PHE 741 CO 0.02 -0.38 -0.37 -0.09 -2.23 0.00 0.00 178.31 175.26 1pww h ARG 742 N -0.21 -0.43 -0.70 1.11 2.43 -0.37 -2.12 114.38 114.08 1pww h ARG 742 Ca 0.20 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.46 1pww h ARG 742 Cb 0.54 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.13 1pww h ARG 742 CO -0.60 -0.29 0.39 -0.07 -1.51 0.00 0.00 179.97 177.89 1pww h LEU 743 N -0.44 0.57 -0.26 3.80 3.38 -0.80 -1.80 115.31 119.75 1pww h LEU 743 Ca 0.09 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1pww h LEU 743 Cb 0.59 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 1pww h LEU 743 CO -0.38 0.36 -0.28 0.24 0.09 0.00 0.00 178.44 178.48 1pww h MET 744 N 0.70 -0.27 -0.91 1.13 2.86 -0.60 -0.58 114.93 117.25 1pww h MET 744 Ca 0.32 0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.87 1pww h MET 744 Cb 0.23 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.88 1pww h MET 744 CO -0.20 -0.18 0.13 0.72 1.06 0.00 0.00 176.91 178.45 1pww n HIS 745 N -5.39 1.07 -0.83 -0.22 8.25 -0.89 -4.68 115.22 112.52 1pww n HIS 745 Ca -0.01 -0.67 -0.30 0.00 -0.26 0.00 0.00 57.72 56.48 1pww n HIS 745 Cb 0.31 -0.40 0.17 0.00 1.12 0.00 0.00 29.99 31.19 1pww n HIS 745 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1pww s SER 746 N -0.14 2.70 0.28 0.41 0.15 -0.23 -4.80 113.70 112.07 1pww s SER 746 Ca 0.23 1.82 0.23 0.00 0.70 0.00 0.00 55.95 58.94 1pww s SER 746 Cb 0.19 -2.41 0.25 0.00 -1.71 0.00 0.00 66.02 62.33 1pww s SER 746 CO 0.06 -3.18 1.35 0.74 1.20 0.00 0.00 173.24 173.41 1pww h THR 747 N -1.92 0.00 -3.43 6.45 2.02 -1.90 -3.41 112.91 110.72 1pww h THR 747 Ca -0.49 -0.87 -0.73 0.00 0.77 0.00 0.00 66.41 65.09 1pww h THR 747 Cb 1.28 1.61 -0.22 0.00 -1.74 0.00 0.00 68.15 69.09 1pww h THR 747 CO 0.48 0.00 -0.39 -0.62 0.37 0.00 0.00 175.52 175.35 1pww s ASP 748 N -5.42 6.12 0.45 4.18 2.15 -1.26 -4.93 116.67 117.97 1pww s ASP 748 Ca 0.04 -1.06 0.15 0.00 0.43 0.00 0.00 52.55 52.11 1pww s ASP 748 Cb 0.09 -2.17 1.08 0.00 -0.30 0.00 0.00 42.92 41.62 1pww s ASP 748 CO 0.72 -0.52 2.01 0.45 -0.17 0.00 0.00 175.17 177.66 1pww h HIS 749 N 8.67 0.34 -0.69 -5.34 3.86 -1.95 0.51 115.15 120.56 1pww h HIS 749 Ca -0.27 0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.09 1pww h HIS 749 Cb 1.12 -0.11 -0.12 0.00 1.06 0.00 0.00 27.41 29.36 1pww h HIS 749 CO 0.58 0.17 0.04 0.00 0.86 0.00 0.00 177.93 179.58 1pww h ALA 750 N 1.74 0.74 0.00 2.45 0.00 -1.97 1.19 119.26 123.42 1pww h ALA 750 Ca 0.23 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1pww h ALA 750 Cb 0.46 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1pww h ALA 750 CO -0.05 -0.39 0.00 0.93 0.00 0.00 0.00 179.25 179.73 1pww h GLU 751 N 0.14 0.00 0.05 0.00 5.08 -1.21 -2.72 114.58 115.93 1pww h GLU 751 Ca 0.37 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.66 1pww h GLU 751 Cb 0.64 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.89 1pww h GLU 751 CO -0.57 0.00 -0.34 0.00 -1.00 0.00 0.00 179.01 177.09 1pww h ARG 752 N 0.00 0.14 0.00 2.33 3.08 0.15 -3.27 114.38 116.81 1pww h ARG 752 Ca 0.00 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 1pww h ARG 752 Cb 0.29 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1pww h ARG 752 CO 0.00 1.08 -0.07 1.25 -1.07 0.00 0.00 179.97 181.16 1pww h LEU 753 N -0.69 0.00 -1.32 3.04 5.85 -1.03 -1.28 115.31 119.88 1pww h LEU 753 Ca -0.06 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 1pww h LEU 753 Cb 1.24 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1pww h LEU 753 CO 0.06 0.07 -0.03 0.50 -0.34 0.00 0.00 178.44 178.71 1pww h LYS 754 N 0.00 0.42 0.09 1.25 3.64 -1.53 -0.24 116.57 120.20 1pww h LYS 754 Ca -0.00 -0.09 -0.27 0.00 -1.27 0.00 0.00 60.65 59.02 1pww h LYS 754 Cb 0.24 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1pww h LYS 754 CO 0.01 0.47 -1.30 0.28 -2.27 0.00 0.00 179.45 176.64 1pww h VAL 755 N 0.40 1.42 -0.32 2.00 2.07 -1.31 -3.16 116.25 117.35 1pww h VAL 755 Ca 0.09 -3.05 -0.14 0.00 0.82 0.00 0.00 66.70 64.43 1pww h VAL 755 Cb 0.32 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1pww h VAL 755 CO 0.01 0.87 -0.34 -0.61 0.02 0.00 0.00 177.57 177.53 1pww h GLN 756 N 0.05 0.79 -0.68 1.57 5.75 -1.19 0.35 115.11 121.75 1pww h GLN 756 Ca -0.15 -0.42 -0.07 0.00 -0.15 0.00 0.00 58.65 57.86 1pww h GLN 756 Cb 1.95 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 30.47 1pww h GLN 756 CO 0.17 1.05 0.09 0.36 -2.65 0.00 0.00 178.83 177.86 1pww n LYS 757 N -4.18 4.15 0.00 1.69 2.85 -0.14 -3.90 118.16 118.63 1pww n LYS 757 Ca -0.03 -2.82 0.00 0.00 -1.05 0.00 0.00 58.31 54.41 1pww n LYS 757 Cb 0.51 -2.17 0.00 0.00 -0.65 0.00 0.00 35.03 32.71 1pww n LYS 757 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1pww n ASN 758 N 0.32 0.00 -2.68 -5.58 4.13 -1.19 -4.94 115.26 105.32 1pww n ASN 758 Ca 0.30 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.47 1pww n ASN 758 Cb 1.18 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 39.45 1pww n ASN 758 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pww n ALA 759 N 0.00 3.34 -0.39 5.41 0.00 0.12 -4.76 120.51 124.24 1pww n ALA 759 Ca 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.31 1pww n ALA 759 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1pww n ALA 759 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pww n PRO 760 N -0.28 0.00 -0.01 0.00 -0.02 -1.24 -0.16 135.00 133.29 1pww n PRO 760 Ca 0.12 0.79 0.23 0.00 -2.02 0.00 0.00 63.50 62.62 1pww n PRO 760 Cb 0.81 -1.28 0.65 0.00 -0.02 0.00 0.00 33.50 33.66 1pww n PRO 760 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pww h LYS 761 N 0.00 0.00 0.00 -0.52 3.11 -1.93 -0.37 116.57 116.86 1pww h LYS 761 Ca 0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1pww h LYS 761 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1pww h LYS 761 CO 0.00 0.00 -0.00 1.15 -2.81 0.00 0.00 179.45 177.79 1pww h THR 762 N 0.00 1.04 -1.07 1.00 2.02 -1.27 -0.95 112.91 113.69 1pww h THR 762 Ca 0.29 -1.78 0.31 0.00 0.77 0.00 0.00 66.41 66.00 1pww h THR 762 Cb 1.69 1.97 -0.05 0.00 -1.74 0.00 0.00 68.15 70.02 1pww h THR 762 CO -0.00 0.35 0.76 0.15 0.37 0.00 0.00 175.52 177.15 1pww h PHE 763 N -1.00 0.08 0.05 3.16 3.57 0.11 0.49 116.94 123.39 1pww h PHE 763 Ca -0.00 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1pww h PHE 763 Cb 0.58 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.31 1pww h PHE 763 CO 0.16 0.01 -0.33 1.96 -2.23 0.00 0.00 178.31 177.88 1pww h GLN 764 N 0.05 0.15 0.19 1.11 1.08 -1.34 -2.93 115.11 113.41 1pww h GLN 764 Ca 0.52 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 1pww h GLN 764 Cb 1.98 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 29.48 1pww h GLN 764 CO -0.04 1.06 -0.17 0.35 -0.95 0.00 0.00 178.83 179.07 1pww h PHE 765 N -0.66 -0.45 -0.91 2.96 3.57 0.12 -0.83 116.94 120.74 1pww h PHE 765 Ca -0.05 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.55 1pww h PHE 765 Cb 1.21 0.18 -0.08 0.00 2.79 0.00 0.00 35.95 40.05 1pww h PHE 765 CO 0.23 -0.26 0.55 0.82 -2.23 0.00 0.00 178.31 177.41 1pww h ILE 766 N -0.39 0.92 -0.24 1.41 5.03 -0.57 -1.81 117.51 121.86 1pww h ILE 766 Ca -0.00 -0.31 -0.10 0.00 -0.12 0.00 0.00 64.86 64.33 1pww h ILE 766 Cb 0.36 -0.06 -0.01 0.00 -3.03 0.00 0.00 36.82 34.08 1pww h ILE 766 CO -0.03 0.16 -0.29 0.78 -0.68 0.00 0.00 178.15 178.09 1pww h ASN 767 N 0.90 0.50 1.00 1.72 -0.26 -1.26 -2.59 115.58 115.58 1pww h ASN 767 Ca 0.45 -0.18 -0.05 0.00 -0.56 0.00 0.00 56.30 55.96 1pww h ASN 767 Cb 0.42 -0.14 0.01 0.00 -1.06 0.00 0.00 38.32 37.55 1pww h ASN 767 CO -0.26 0.77 -0.49 0.44 -1.06 0.00 0.00 177.43 176.84 1pww h ASP 768 N 0.43 -1.16 -0.88 5.81 3.32 -0.31 -2.65 116.42 120.99 1pww h ASP 768 Ca 0.06 0.04 0.16 0.00 0.02 0.00 0.00 57.03 57.31 1pww h ASP 768 Cb 0.72 0.30 -0.16 0.00 0.22 0.00 0.00 39.33 40.42 1pww h ASP 768 CO 0.06 -0.82 -0.30 1.56 -1.72 0.00 0.00 179.24 178.02 1pww h GLN 769 N -1.35 -0.03 -0.43 3.56 7.50 -1.42 0.35 115.11 123.29 1pww h GLN 769 Ca -0.14 0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.10 1pww h GLN 769 Cb 1.04 0.01 -0.09 0.00 0.05 0.00 0.00 27.48 28.48 1pww h GLN 769 CO 0.22 -0.02 -0.21 0.82 -1.50 0.00 0.00 178.83 178.15 1pww h ILE 770 N -0.03 0.39 -0.27 2.54 2.04 -1.26 0.56 117.51 121.49 1pww h ILE 770 Ca 0.37 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.20 1pww h ILE 770 Cb 0.62 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1pww h ILE 770 CO -0.90 0.00 0.06 0.11 0.00 0.00 0.00 178.15 177.42 1pww h LYS 771 N -0.12 0.43 -0.45 2.37 1.79 -0.57 0.12 116.57 120.13 1pww h LYS 771 Ca 0.21 -0.10 0.07 0.00 -2.18 0.00 0.00 60.65 58.64 1pww h LYS 771 Cb 0.44 -0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 30.94 1pww h LYS 771 CO -0.50 0.52 -0.45 0.35 -1.08 0.00 0.00 179.45 178.28 1pww h PHE 772 N 0.26 -1.34 0.71 -1.35 -0.00 0.11 0.17 116.94 115.51 1pww h PHE 772 Ca 0.08 0.07 -0.03 0.00 -0.00 0.00 0.00 57.97 58.10 1pww h PHE 772 Cb 0.29 0.65 -0.00 0.00 -0.00 0.00 0.00 35.95 36.88 1pww h PHE 772 CO 0.01 -0.45 -0.40 0.82 -0.00 0.00 0.00 178.31 178.29 1pww h ILE 773 N -0.31 0.18 -0.51 1.41 2.04 0.28 -0.91 117.51 119.68 1pww h ILE 773 Ca 0.14 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.06 1pww h ILE 773 Cb 0.58 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 36.75 1pww h ILE 773 CO -0.61 0.00 -0.52 0.40 0.00 0.00 0.00 178.15 177.42 1pww h ILE 774 N -1.04 0.03 0.00 -0.67 1.08 -0.21 -1.46 117.51 115.24 1pww h ILE 774 Ca -0.09 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1pww h ILE 774 Cb 0.83 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.60 1pww h ILE 774 CO 0.12 0.00 -0.01 0.78 -0.69 0.00 0.00 178.15 178.35 1pww h ASN 775 N -0.31 0.00 -0.00 1.72 2.35 -0.68 -3.51 115.58 115.15 1pww h ASN 775 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1pww h ASN 775 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1pww h ASN 775 CO -0.66 0.01 0.00 -0.24 -1.65 0.00 0.00 177.43 174.89