#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwu h THR 31 N 0.00 1.15 0.01 -0.18 2.02 -2.06 -2.57 112.91 111.28 1pwu h THR 31 Ca 0.00 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 1pwu h THR 31 Cb 0.00 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1pwu h THR 31 CO 0.00 0.19 -0.00 1.56 0.37 0.00 0.00 175.52 177.64 1pwu h GLN 32 N 0.44 -0.01 -0.93 6.66 4.20 -2.06 -3.33 115.11 120.07 1pwu h GLN 32 Ca 0.10 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.99 1pwu h GLN 32 Cb 0.19 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 27.80 1pwu h GLN 32 CO -0.00 0.68 -0.28 0.93 -0.67 0.00 0.00 178.83 179.50 1pwu h GLU 33 N -0.98 -0.01 0.25 1.46 4.39 -1.98 -0.97 114.58 116.75 1pwu h GLU 33 Ca -0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1pwu h GLU 33 Cb 0.70 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 1pwu h GLU 33 CO 0.00 -0.01 -0.30 0.93 -1.16 0.00 0.00 179.01 178.47 1pwu h GLU 34 N -0.01 -0.58 -1.09 2.33 5.08 -1.62 -2.35 114.58 116.34 1pwu h GLU 34 Ca 0.42 0.04 0.34 0.00 -1.00 0.00 0.00 59.36 59.15 1pwu h GLU 34 Cb 0.66 0.13 -0.13 0.00 0.50 0.00 0.00 28.75 29.91 1pwu h GLU 34 CO -0.96 -0.39 0.66 1.25 -1.00 0.00 0.00 179.01 178.58 1pwu h HIS 35 N -0.61 0.77 0.00 4.33 2.76 -1.29 -2.75 115.15 118.36 1pwu h HIS 35 Ca -0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1pwu h HIS 35 Cb 0.58 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.33 1pwu h HIS 35 CO -0.21 -0.12 0.00 1.28 -1.30 0.00 0.00 177.93 177.57 1pwu n LEU 36 N -4.86 0.00 -0.34 0.26 4.77 -0.89 -2.63 117.00 113.31 1pwu n LEU 36 Ca 0.32 0.59 0.26 0.00 -0.03 0.00 0.00 56.01 57.15 1pwu n LEU 36 Cb 1.07 -0.09 0.51 0.00 -2.33 0.00 0.00 43.42 42.58 1pwu n LEU 36 CO 0.16 -0.09 1.12 0.50 -1.33 0.00 0.00 177.39 177.75 1pwu h LYS 37 N 0.00 0.25 -0.29 3.23 3.64 -1.54 1.09 116.57 122.96 1pwu h LYS 37 Ca 0.00 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1pwu h LYS 37 Cb 0.00 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 1pwu h LYS 37 CO 0.00 0.17 -0.20 0.93 -2.27 0.00 0.00 179.45 178.07 1pwu h GLU 38 N 0.26 -0.18 0.13 1.90 4.39 -1.52 -0.48 114.58 119.09 1pwu h GLU 38 Ca 0.75 0.01 -0.21 0.00 0.34 0.00 0.00 59.36 60.26 1pwu h GLU 38 Cb 1.84 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 30.54 1pwu h GLU 38 CO -0.60 -0.12 -0.96 0.82 -1.16 0.00 0.00 179.01 176.99 1pwu h ILE 39 N -0.18 1.39 0.03 3.13 2.04 -0.00 -3.29 117.51 120.63 1pwu h ILE 39 Ca 0.15 -2.50 0.03 0.00 1.00 0.00 0.00 64.86 63.54 1pwu h ILE 39 Cb 0.42 3.08 -0.05 0.00 -0.74 0.00 0.00 36.82 39.53 1pwu h ILE 39 CO -0.39 0.71 -0.30 0.24 0.00 0.00 0.00 178.15 178.41 1pwu h MET 40 N -0.37 -0.45 0.00 2.37 2.86 0.11 0.19 114.93 119.64 1pwu h MET 40 Ca -0.18 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1pwu h MET 40 Cb 1.67 0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.43 1pwu h MET 40 CO 0.12 -0.30 0.00 1.63 1.06 0.00 0.00 176.91 179.42 1pwu n LYS 41 N -5.40 0.27 -0.07 1.72 5.02 -0.20 0.12 118.16 119.63 1pwu n LYS 41 Ca -0.05 0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 56.13 1pwu n LYS 41 Cb 0.31 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.70 1pwu n LYS 41 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1pwu n HIS 42 N -1.21 0.74 -0.04 2.13 -0.00 0.39 -4.60 115.22 112.64 1pwu n HIS 42 Ca 0.08 0.20 0.02 0.00 0.46 0.00 0.00 57.72 58.48 1pwu n HIS 42 Cb 0.09 -1.09 -0.13 0.00 -0.12 0.00 0.00 29.99 28.74 1pwu n HIS 42 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 1pwu n ILE 43 N -3.73 0.44 -3.35 3.57 -5.35 0.29 -4.92 119.36 106.30 1pwu n ILE 43 Ca -0.38 -0.51 -0.39 0.00 -0.27 0.00 0.00 62.75 61.20 1pwu n ILE 43 Cb 0.94 -0.16 -0.08 0.00 -1.74 0.00 0.00 39.64 38.60 1pwu n ILE 43 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1pwu s VAL 44 N -2.89 5.17 -0.08 7.28 1.01 0.33 -1.05 120.40 130.17 1pwu s VAL 44 Ca -0.07 0.73 -0.00 0.00 0.00 0.00 0.00 61.98 62.63 1pwu s VAL 44 Cb 0.09 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1pwu s VAL 44 CO 0.70 0.20 -0.04 -1.59 0.00 0.00 0.00 175.10 174.37 1pwu s LYS 45 N 1.64 1.02 0.16 2.72 -2.85 -0.48 -4.43 119.74 117.51 1pwu s LYS 45 Ca 0.19 -0.08 -0.08 0.00 -1.00 0.00 0.00 55.97 55.00 1pwu s LYS 45 Cb -0.15 -1.18 -0.06 0.00 -2.06 0.00 0.00 37.83 34.38 1pwu s LYS 45 CO 0.09 -0.23 0.46 0.96 0.10 0.00 0.00 175.35 176.72 1pwu s ILE 46 N 1.62 5.04 -0.42 3.79 -5.25 -1.26 -2.57 121.20 122.16 1pwu s ILE 46 Ca 0.01 0.34 0.04 0.00 -0.99 0.00 0.00 60.65 60.05 1pwu s ILE 46 Cb -0.13 -3.63 0.17 0.00 2.95 0.00 0.00 42.46 41.82 1pwu s ILE 46 CO -0.05 0.07 0.43 -1.61 -1.79 0.00 0.00 174.94 171.99 1pwu s GLU 47 N -2.50 0.87 0.02 0.37 2.02 0.96 -4.92 118.70 115.51 1pwu s GLU 47 Ca 0.41 -1.56 0.00 0.00 0.02 0.00 0.00 54.97 53.84 1pwu s GLU 47 Cb -0.12 -0.95 0.00 0.00 0.10 0.00 0.00 34.13 33.16 1pwu s GLU 47 CO 0.22 -1.32 0.00 1.33 0.02 0.00 0.00 175.26 175.51 1pwu n VAL 48 N 3.23 0.00 0.00 2.63 0.24 -1.26 -3.69 118.33 119.48 1pwu n VAL 48 Ca 0.22 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 1pwu n VAL 48 Cb 0.48 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 1pwu n VAL 48 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1pwu n LYS 49 N -0.21 0.00 -0.28 7.34 5.02 -1.26 -5.01 118.16 123.76 1pwu n LYS 49 Ca -0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.06 1pwu n LYS 49 Cb 0.02 -0.22 0.21 0.00 -0.02 0.00 0.00 35.03 35.02 1pwu n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pwu n GLY 50 N 2.50 -3.67 3.68 0.72 0.00 -1.26 -4.74 105.19 102.43 1pwu n GLY 50 Ca 0.00 -1.31 -0.63 0.00 0.00 0.00 0.00 46.02 44.08 1pwu n GLY 50 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pwu n GLU 51 N -4.63 0.46 -0.74 1.61 2.13 -1.26 -4.79 120.64 113.42 1pwu n GLU 51 Ca 0.10 0.17 -0.13 0.00 0.66 0.00 0.00 57.16 57.96 1pwu n GLU 51 Cb 0.44 -1.76 0.05 0.00 0.27 0.00 0.00 31.44 30.44 1pwu n GLU 51 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1pwu n GLU 52 N 4.96 1.65 -0.10 5.31 1.02 -1.26 -3.90 120.64 128.32 1pwu n GLU 52 Ca 0.32 -1.34 -0.21 0.00 -0.02 0.00 0.00 57.16 55.91 1pwu n GLU 52 Cb 0.02 -1.53 -0.08 0.00 -0.02 0.00 0.00 31.44 29.84 1pwu n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pwu n ALA 53 N 0.28 1.67 0.04 0.62 0.00 -1.26 -3.92 120.51 117.93 1pwu n ALA 53 Ca 0.26 -0.81 -0.14 0.00 0.00 0.00 0.00 53.44 52.74 1pwu n ALA 53 Cb 0.70 0.21 -0.04 0.00 0.00 0.00 0.00 19.45 20.32 1pwu n ALA 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pwu h VAL 54 N -0.62 1.34 -0.32 0.00 2.07 -1.97 -1.67 116.25 115.07 1pwu h VAL 54 Ca -0.51 -2.22 -0.16 0.00 0.82 0.00 0.00 66.70 64.64 1pwu h VAL 54 Cb 1.48 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 33.47 1pwu h VAL 54 CO -0.28 0.68 -0.42 0.11 0.02 0.00 0.00 177.57 177.68 1pwu h LYS 55 N 0.35 0.81 -0.04 1.57 1.57 -1.82 -1.77 116.57 117.25 1pwu h LYS 55 Ca -0.07 -0.44 -0.07 0.00 -1.87 0.00 0.00 60.65 58.21 1pwu h LYS 55 Cb 1.48 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.82 1pwu h LYS 55 CO 0.16 1.07 -0.23 -0.22 -0.57 0.00 0.00 179.45 179.66 1pwu h LYS 56 N 0.66 0.22 0.00 3.15 3.64 -1.68 -2.50 116.57 120.07 1pwu h LYS 56 Ca 0.05 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1pwu h LYS 56 Cb 0.99 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1pwu h LYS 56 CO 0.09 0.86 0.00 0.39 -2.27 0.00 0.00 179.45 178.52 1pwu n GLU 57 N -4.52 0.18 -0.07 1.90 -0.58 -0.63 -1.01 120.64 115.90 1pwu n GLU 57 Ca -0.09 0.54 -0.18 0.00 -0.42 0.00 0.00 57.16 57.01 1pwu n GLU 57 Cb 0.46 -1.93 -0.13 0.00 -0.57 0.00 0.00 31.44 29.28 1pwu n GLU 57 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pwu h ALA 58 N 2.13 0.11 -0.03 0.62 0.00 -1.22 -3.16 119.26 117.72 1pwu h ALA 58 Ca 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 54.91 54.03 1pwu h ALA 58 Cb 0.19 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1pwu h ALA 58 CO 0.00 0.35 -0.27 0.00 0.00 0.00 0.00 179.25 179.33 1pwu h ALA 59 N -0.18 1.50 -0.11 0.00 0.00 -1.13 -1.99 119.26 117.35 1pwu h ALA 59 Ca -0.16 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 1pwu h ALA 59 Cb 1.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1pwu h ALA 59 CO -0.07 0.37 -0.31 1.49 0.00 0.00 0.00 179.25 180.73 1pwu h GLU 60 N 0.05 0.21 0.00 0.00 4.22 -1.19 -1.43 114.58 116.44 1pwu h GLU 60 Ca 0.01 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1pwu h GLU 60 Cb 0.51 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1pwu h GLU 60 CO 0.04 0.50 0.00 0.87 -2.18 0.00 0.00 179.01 178.24 1pwu h LYS 61 N 0.18 0.00 0.18 1.92 1.79 -1.31 -2.36 116.57 116.97 1pwu h LYS 61 Ca 0.03 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.23 1pwu h LYS 61 Cb 0.65 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.32 1pwu h LYS 61 CO 0.05 0.00 -1.20 1.25 -1.08 0.00 0.00 179.45 178.47 1pwu h LEU 62 N 0.00 0.61 -0.04 2.94 5.85 -1.19 -3.38 115.31 120.09 1pwu h LEU 62 Ca 0.00 -0.93 -0.26 0.00 0.84 0.00 0.00 57.88 57.53 1pwu h LEU 62 Cb 0.45 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.30 1pwu h LEU 62 CO 0.00 1.57 -1.04 -0.07 -0.34 0.00 0.00 178.44 178.55 1pwu h LEU 63 N -0.15 0.75 -1.21 2.25 3.38 -1.39 -3.27 115.31 115.67 1pwu h LEU 63 Ca -0.22 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1pwu h LEU 63 Cb 1.88 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1pwu h LEU 63 CO 0.19 1.42 0.44 1.05 0.09 0.00 0.00 178.44 181.63 1pwu h GLU 64 N 0.30 0.00 0.00 1.13 4.11 -1.60 0.29 114.58 118.81 1pwu h GLU 64 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.31 1pwu h GLU 64 Cb 1.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1pwu h GLU 64 CO 0.19 0.00 -0.32 1.17 0.07 0.00 0.00 179.01 180.12 1pwu n LYS 65 N -2.47 0.04 -3.49 1.06 3.00 -1.23 -4.85 118.16 110.22 1pwu n LYS 65 Ca -0.01 0.02 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 1pwu n LYS 65 Cb 0.46 -1.53 -0.06 0.00 0.00 0.00 0.00 35.03 33.91 1pwu n LYS 65 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1pwu s VAL 66 N -3.02 5.08 -0.20 3.15 1.01 0.10 -4.96 120.40 121.57 1pwu s VAL 66 Ca 0.12 0.82 -0.39 0.00 0.00 0.00 0.00 61.98 62.53 1pwu s VAL 66 Cb 0.17 -3.71 -0.15 0.00 0.00 0.00 0.00 36.38 32.69 1pwu s VAL 66 CO 0.64 0.53 1.72 -2.65 0.00 0.00 0.00 175.10 175.34 1pwu n PRO 67 N 2.19 1.34 -0.33 2.72 -0.02 -1.26 -4.83 135.00 134.81 1pwu n PRO 67 Ca -0.13 0.49 0.25 0.00 -2.02 0.00 0.00 63.50 62.09 1pwu n PRO 67 Cb 0.52 -2.20 0.47 0.00 -0.02 0.00 0.00 33.50 32.27 1pwu n PRO 67 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1pwu h SER 68 N 7.21 0.03 0.12 2.55 0.87 -1.93 -0.53 113.55 121.87 1pwu h SER 68 Ca -0.47 0.26 -0.10 0.00 -1.23 0.00 0.00 61.79 60.25 1pwu h SER 68 Cb 1.31 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 63.60 1pwu h SER 68 CO 0.94 -0.39 -0.35 0.44 -0.53 0.00 0.00 176.83 176.94 1pwu h ASP 69 N 0.02 0.34 0.66 6.23 3.32 -1.97 -2.66 116.42 122.37 1pwu h ASP 69 Ca 0.75 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.66 1pwu h ASP 69 Cb 1.82 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 41.28 1pwu h ASP 69 CO -0.82 0.67 -0.02 -0.37 -1.72 0.00 0.00 179.24 176.99 1pwu h VAL 70 N 0.28 0.07 0.03 -1.35 -1.51 -1.45 -1.36 116.25 110.96 1pwu h VAL 70 Ca 0.03 -0.38 -0.24 0.00 -1.23 0.00 0.00 66.70 64.87 1pwu h VAL 70 Cb 0.76 1.36 0.01 0.00 -2.13 0.00 0.00 31.29 31.28 1pwu h VAL 70 CO 0.06 0.02 -1.03 0.25 -1.23 0.00 0.00 177.57 175.64 1pwu h LEU 71 N 0.00 0.58 -0.40 4.19 5.85 -1.50 -3.00 115.31 121.03 1pwu h LEU 71 Ca -0.00 -0.49 -0.15 0.00 0.84 0.00 0.00 57.88 58.08 1pwu h LEU 71 Cb 0.35 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1pwu h LEU 71 CO 0.00 1.31 -0.69 -0.08 -0.34 0.00 0.00 178.44 178.64 1pwu h GLU 72 N 0.22 0.00 -0.15 1.25 4.81 -1.23 -2.86 114.58 116.62 1pwu h GLU 72 Ca -0.10 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 1pwu h GLU 72 Cb 1.68 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 1pwu h GLU 72 CO 0.18 0.69 -0.35 0.52 -0.73 0.00 0.00 179.01 179.32 1pwu h MET 73 N 0.00 0.31 -0.17 1.92 2.86 -1.30 -1.90 114.93 116.64 1pwu h MET 73 Ca -0.01 -0.13 -0.14 0.00 -2.06 0.00 0.00 59.70 57.36 1pwu h MET 73 Cb 1.35 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.99 1pwu h MET 73 CO 0.09 0.63 -0.49 -0.92 1.06 0.00 0.00 176.91 177.28 1pwu h TYR 74 N 0.27 0.56 -0.38 -0.22 -0.00 -1.44 -2.70 116.97 113.05 1pwu h TYR 74 Ca 0.03 -0.18 -0.01 0.00 -0.00 0.00 0.00 58.73 58.57 1pwu h TYR 74 Cb 0.75 -0.11 -0.02 0.00 -0.00 0.00 0.00 36.73 37.35 1pwu h TYR 74 CO 0.02 0.86 0.21 -0.22 -0.00 0.00 0.00 178.16 179.03 1pwu h LYS 75 N 0.37 0.52 -0.70 1.82 3.64 -1.23 0.89 116.57 121.88 1pwu h LYS 75 Ca 0.02 -0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.47 1pwu h LYS 75 Cb 0.99 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.62 1pwu h LYS 75 CO 0.09 0.42 0.25 0.00 -2.27 0.00 0.00 179.45 177.94 1pwu h ALA 76 N 1.08 0.94 -0.21 5.00 0.00 -1.04 -0.16 119.26 124.86 1pwu h ALA 76 Ca 0.13 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1pwu h ALA 76 Cb 0.04 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pwu h ALA 76 CO -0.02 -0.23 0.01 0.44 0.00 0.00 0.00 179.25 179.46 1pwu n ILE 77 N -5.03 1.02 -3.02 0.00 -5.35 -1.09 -4.88 119.36 101.01 1pwu n ILE 77 Ca 0.12 -0.50 -0.13 0.00 -0.27 0.00 0.00 62.75 61.97 1pwu n ILE 77 Cb 0.37 -0.45 0.06 0.00 -1.74 0.00 0.00 39.64 37.88 1pwu n ILE 77 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pwu n GLY 78 N 0.20 -0.06 3.87 3.28 0.00 -0.07 -4.56 105.19 107.85 1pwu n GLY 78 Ca 0.10 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1pwu n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pwu s GLY 79 N -3.67 1.37 0.02 -0.02 0.00 0.29 -3.90 107.32 101.41 1pwu s GLY 79 Ca 0.12 -1.35 -0.12 0.00 0.00 0.00 0.00 44.72 43.38 1pwu s GLY 79 CO 0.48 -1.38 0.25 0.54 0.00 0.00 0.00 173.10 172.99 1pwu s LYS 80 N -3.83 0.68 -0.15 2.90 1.02 -1.19 -4.54 119.74 114.63 1pwu s LYS 80 Ca 0.33 -0.41 -0.01 0.00 0.02 0.00 0.00 55.97 55.90 1pwu s LYS 80 Cb -0.08 0.29 -0.01 0.00 -0.52 0.00 0.00 37.83 37.50 1pwu s LYS 80 CO 0.26 -0.19 -0.12 0.42 -0.92 0.00 0.00 175.35 174.80 1pwu s ILE 81 N -1.93 3.10 -0.20 2.17 1.01 -0.21 -1.33 121.20 123.81 1pwu s ILE 81 Ca -0.10 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 1pwu s ILE 81 Cb -0.04 -2.32 -0.00 0.00 0.01 0.00 0.00 42.46 40.11 1pwu s ILE 81 CO 0.00 0.51 -0.08 -0.31 0.00 0.00 0.00 174.94 175.06 1pwu s TYR 82 N 0.54 2.91 -0.32 3.97 1.51 0.23 -1.39 117.35 124.81 1pwu s TYR 82 Ca -0.08 -1.03 -0.09 0.00 -1.01 0.00 0.00 57.07 54.86 1pwu s TYR 82 Cb -0.15 -2.05 0.01 0.00 -0.11 0.00 0.00 41.96 39.66 1pwu s TYR 82 CO 0.04 -0.56 0.14 0.42 -1.11 0.00 0.00 175.55 174.47 1pwu s ILE 83 N 1.33 4.37 0.30 2.71 1.09 -1.06 -1.11 121.20 128.82 1pwu s ILE 83 Ca 0.04 -0.60 0.02 0.00 -1.10 0.00 0.00 60.65 59.01 1pwu s ILE 83 Cb -0.14 -3.28 -0.05 0.00 -1.06 0.00 0.00 42.46 37.93 1pwu s ILE 83 CO -0.04 0.01 0.09 0.68 -0.10 0.00 0.00 174.94 175.58 1pwu s VAL 84 N 1.56 0.77 0.23 2.92 -7.23 -0.63 -0.03 120.40 118.00 1pwu s VAL 84 Ca 0.03 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.26 1pwu s VAL 84 Cb -0.18 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 1pwu s VAL 84 CO 0.05 0.00 0.26 -1.81 -0.31 0.00 0.00 175.10 173.29 1pwu s ASP 85 N -3.40 5.87 0.81 4.85 1.01 -1.24 -1.05 116.67 123.52 1pwu s ASP 85 Ca 0.36 -0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.53 1pwu s ASP 85 Cb 0.08 -1.61 0.00 0.00 1.01 0.00 0.00 42.92 42.40 1pwu s ASP 85 CO 0.15 -0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.10 1pwu n GLY 86 N -1.15 0.51 3.71 0.21 0.00 -1.26 -4.72 105.19 102.50 1pwu n GLY 86 Ca -0.08 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 1pwu n GLY 86 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pwu n ASP 87 N -2.42 3.61 0.08 1.61 4.64 -1.26 -4.91 116.55 117.91 1pwu n ASP 87 Ca 0.00 1.11 -0.07 0.00 -1.38 0.00 0.00 54.79 54.45 1pwu n ASP 87 Cb 0.00 -1.54 -0.04 0.00 -1.04 0.00 0.00 41.12 38.50 1pwu n ASP 87 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 1pwu h ILE 88 N 3.48 1.60 -0.06 5.18 3.07 -1.84 -3.17 117.51 125.76 1pwu h ILE 88 Ca -0.45 -2.98 0.02 0.00 1.55 0.00 0.00 64.86 63.00 1pwu h ILE 88 Cb 1.23 2.64 -0.00 0.00 -0.27 0.00 0.00 36.82 40.42 1pwu h ILE 88 CO 0.85 0.86 0.07 0.71 -1.05 0.00 0.00 178.15 179.58 1pwu h THR 89 N 0.03 0.57 -0.15 0.16 1.35 -1.91 -2.76 112.91 110.20 1pwu h THR 89 Ca -0.03 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.70 1pwu h THR 89 Cb 1.61 0.95 -0.05 0.00 -1.73 0.00 0.00 68.15 68.92 1pwu h THR 89 CO 0.13 0.00 0.00 1.17 -0.25 0.00 0.00 175.52 176.57 1pwu n LYS 90 N -3.92 1.47 -4.32 4.72 4.81 -1.20 -4.43 118.16 115.30 1pwu n LYS 90 Ca -0.01 -0.67 -0.22 0.00 -0.87 0.00 0.00 58.31 56.54 1pwu n LYS 90 Cb 0.16 -1.43 -0.13 0.00 0.02 0.00 0.00 35.03 33.66 1pwu n LYS 90 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1pwu s HIS 91 N -0.18 1.57 0.16 5.64 2.46 -1.04 -5.03 115.29 118.87 1pwu s HIS 91 Ca 0.26 -0.41 -0.31 0.00 0.47 0.00 0.00 55.06 55.07 1pwu s HIS 91 Cb 0.15 -0.89 -0.06 0.00 -0.13 0.00 0.00 32.58 31.65 1pwu s HIS 91 CO -0.02 0.13 1.54 0.82 -2.47 0.00 0.00 174.74 174.75 1pwu h ILE 92 N 4.23 0.00 0.50 0.89 2.04 -1.91 -0.42 117.51 122.85 1pwu h ILE 92 Ca -0.43 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1pwu h ILE 92 Cb 1.18 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1pwu h ILE 92 CO 0.41 0.00 -0.26 0.77 0.00 0.00 0.00 178.15 179.07 1pwu h SER 93 N -0.06 -0.63 0.00 1.72 4.64 -1.96 -2.77 113.55 114.48 1pwu h SER 93 Ca 0.16 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1pwu h SER 93 Cb 0.45 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1pwu h SER 93 CO -0.89 -0.43 0.00 0.18 -0.87 0.00 0.00 176.83 174.82 1pwu n LEU 94 N -3.95 0.10 0.29 5.97 4.77 -1.19 -3.68 117.00 119.31 1pwu n LEU 94 Ca -0.09 -0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.70 1pwu n LEU 94 Cb 0.28 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1pwu n LEU 94 CO 0.21 0.02 0.48 -0.08 -1.33 0.00 0.00 177.39 176.69 1pwu h GLU 95 N 0.08 -0.74 -0.08 3.23 4.57 -0.77 -2.80 114.58 118.08 1pwu h GLU 95 Ca 0.00 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1pwu h GLU 95 Cb 0.05 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1pwu h GLU 95 CO 0.00 -0.43 0.00 0.00 -1.18 0.00 0.00 179.01 177.40 1pwu n ALA 96 N -2.59 1.61 -1.77 2.92 0.00 -1.24 -4.78 120.51 114.65 1pwu n ALA 96 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.93 1pwu n ALA 96 Cb 0.34 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 1pwu n ALA 96 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pwu s LEU 97 N -0.65 4.35 0.46 0.00 0.20 -1.06 -5.00 118.68 116.98 1pwu s LEU 97 Ca 0.00 2.53 -0.21 0.00 0.69 0.00 0.00 54.13 57.14 1pwu s LEU 97 Cb 0.00 -3.78 -0.09 0.00 -0.43 0.00 0.00 46.19 41.89 1pwu s LEU 97 CO 0.00 -0.56 1.01 -0.94 -0.29 0.00 0.00 176.35 175.58 1pwu s SER 98 N -0.76 6.56 0.27 3.68 1.04 -1.26 -4.98 113.70 118.26 1pwu s SER 98 Ca 0.52 1.88 -0.00 0.00 0.48 0.00 0.00 55.95 58.82 1pwu s SER 98 Cb -0.36 -2.56 0.39 0.00 0.10 0.00 0.00 66.02 63.59 1pwu s SER 98 CO 0.47 -0.63 1.77 -0.33 0.98 0.00 0.00 173.24 175.50 1pwu h GLU 99 N 1.79 0.70 0.31 4.02 4.39 -1.98 -3.30 114.58 120.51 1pwu h GLU 99 Ca -0.49 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.00 1pwu h GLU 99 Cb 1.21 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1pwu h GLU 99 CO 0.60 0.75 -0.28 0.38 -1.16 0.00 0.00 179.01 179.29 1pwu h ASP 100 N 0.65 -0.77 0.08 1.42 2.03 -2.03 -2.68 116.42 115.12 1pwu h ASP 100 Ca 0.12 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 1pwu h ASP 100 Cb 0.47 0.25 0.00 0.00 -0.83 0.00 0.00 39.33 39.22 1pwu h ASP 100 CO 0.02 -0.38 0.00 0.29 -1.03 0.00 0.00 179.24 178.14 1pwu n LYS 101 N -4.09 0.15 0.00 4.15 5.02 -1.26 -3.66 118.16 118.47 1pwu n LYS 101 Ca -0.07 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1pwu n LYS 101 Cb 0.26 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 1pwu n LYS 101 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pwu n LYS 102 N -2.29 0.00 -3.89 1.97 5.02 -1.01 -3.88 118.16 114.08 1pwu n LYS 102 Ca -0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 1pwu n LYS 102 Cb 0.06 -0.99 -0.13 0.00 -0.02 0.00 0.00 35.03 33.94 1pwu n LYS 102 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1pwu s LYS 103 N -1.36 1.98 0.09 1.97 2.47 -1.24 -1.89 119.74 121.76 1pwu s LYS 103 Ca 0.00 -2.71 0.01 0.00 -1.56 0.00 0.00 55.97 51.72 1pwu s LYS 103 Cb 0.00 -3.16 -0.04 0.00 -1.46 0.00 0.00 37.83 33.17 1pwu s LYS 103 CO 0.00 -1.17 0.20 0.42 0.16 0.00 0.00 175.35 174.96 1pwu s ILE 104 N -0.49 5.18 0.03 5.43 -1.09 -1.24 -4.90 121.20 124.13 1pwu s ILE 104 Ca 0.19 -0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 58.02 1pwu s ILE 104 Cb -0.20 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 1pwu s ILE 104 CO -0.05 0.06 0.22 -0.54 -1.23 0.00 0.00 174.94 173.41 1pwu s LYS 105 N -2.71 3.48 1.02 2.79 1.02 -1.26 -2.47 119.74 121.61 1pwu s LYS 105 Ca 0.34 -0.30 -0.17 0.00 0.02 0.00 0.00 55.97 55.85 1pwu s LYS 105 Cb -0.12 -3.05 0.24 0.00 -0.52 0.00 0.00 37.83 34.38 1pwu s LYS 105 CO 0.27 0.63 1.29 -0.40 -0.92 0.00 0.00 175.35 176.21 1pwu n ASP 106 N 0.66 -0.30 -0.21 2.83 3.85 -1.12 -4.77 116.55 117.49 1pwu n ASP 106 Ca -0.08 -1.42 0.29 0.00 -0.71 0.00 0.00 54.79 52.86 1pwu n ASP 106 Cb 0.52 -1.02 0.70 0.00 -1.35 0.00 0.00 41.12 39.98 1pwu n ASP 106 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 1pwu h ILE 107 N -1.95 0.54 -0.24 2.12 -0.00 -1.93 0.45 117.51 116.51 1pwu h ILE 107 Ca -0.43 -0.02 0.00 0.00 -0.00 0.00 0.00 64.86 64.42 1pwu h ILE 107 Cb 1.20 0.48 0.00 0.00 -0.00 0.00 0.00 36.82 38.50 1pwu h ILE 107 CO 0.30 0.01 0.00 -1.22 -0.00 0.00 0.00 178.15 177.24 1pwu n TYR 108 N -4.29 0.31 -2.85 2.19 4.02 -1.26 -4.93 117.16 110.34 1pwu n TYR 108 Ca 0.20 -0.15 -0.13 0.00 -0.01 0.00 0.00 57.90 57.81 1pwu n TYR 108 Cb 0.98 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 40.33 1pwu n TYR 108 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pwu n GLY 109 N 1.11 0.07 3.16 2.72 0.00 0.16 -5.03 105.19 107.38 1pwu n GLY 109 Ca 0.15 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1pwu n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwu s LYS 110 N -5.40 3.06 0.58 1.61 1.02 -1.26 -4.85 119.74 114.50 1pwu s LYS 110 Ca 0.23 -0.79 -0.18 0.00 0.02 0.00 0.00 55.97 55.25 1pwu s LYS 110 Cb -0.10 -2.66 -0.10 0.00 -0.52 0.00 0.00 37.83 34.45 1pwu s LYS 110 CO 0.29 -0.21 0.31 -0.25 -0.92 0.00 0.00 175.35 174.57 1pwu n ASP 111 N 4.65 -1.91 -3.50 2.83 9.92 -1.26 -2.78 116.55 124.50 1pwu n ASP 111 Ca -0.20 0.69 -0.00 0.00 -0.53 0.00 0.00 54.79 54.74 1pwu n ASP 111 Cb 0.50 -1.08 -0.05 0.00 -0.64 0.00 0.00 41.12 39.85 1pwu n ASP 111 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pwu s ALA 112 N -1.82 -2.52 0.35 2.24 0.00 -1.03 -4.87 121.76 114.10 1pwu s ALA 112 Ca 0.64 2.12 -0.28 0.00 0.00 0.00 0.00 51.96 54.45 1pwu s ALA 112 Cb -0.44 -1.91 -0.10 0.00 0.00 0.00 0.00 23.12 20.67 1pwu s ALA 112 CO 0.59 -0.71 1.24 -0.51 0.00 0.00 0.00 175.76 176.36 1pwu s LEU 113 N 2.02 4.37 0.30 0.00 1.43 -1.26 -3.66 118.68 121.88 1pwu s LEU 113 Ca -0.05 2.53 0.04 0.00 -1.03 0.00 0.00 54.13 55.62 1pwu s LEU 113 Cb -0.05 -3.77 0.65 0.00 0.03 0.00 0.00 46.19 43.06 1pwu s LEU 113 CO -0.16 -0.54 1.81 0.25 0.23 0.00 0.00 176.35 177.94 1pwu h LEU 114 N 3.19 0.85 0.00 1.79 5.85 -1.73 0.44 115.31 125.69 1pwu h LEU 114 Ca -0.49 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1pwu h LEU 114 Cb 1.23 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1pwu h LEU 114 CO 0.65 0.39 0.00 0.00 -0.34 0.00 0.00 178.44 179.14 1pwu n HIS 115 N -4.67 0.00 -0.00 1.25 1.44 -1.26 -2.43 115.22 109.54 1pwu n HIS 115 Ca 0.21 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 1pwu n HIS 115 Cb 0.46 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.57 1pwu n HIS 115 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1pwu n GLU 116 N -0.81 2.36 -2.81 -1.40 1.02 0.12 -4.73 120.64 114.39 1pwu n GLU 116 Ca 0.11 -0.29 -0.21 0.00 -0.02 0.00 0.00 57.16 56.76 1pwu n GLU 116 Cb 0.05 -0.79 0.07 0.00 -0.02 0.00 0.00 31.44 30.75 1pwu n GLU 116 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1pwu s HIS 117 N -0.42 1.92 -0.81 -0.32 2.46 -1.02 -4.99 115.29 112.12 1pwu s HIS 117 Ca 0.00 -0.40 0.12 0.00 0.47 0.00 0.00 55.06 55.25 1pwu s HIS 117 Cb 0.00 -2.60 -0.07 0.00 -0.13 0.00 0.00 32.58 29.78 1pwu s HIS 117 CO 0.00 -1.19 0.59 2.48 -2.47 0.00 0.00 174.74 174.15 1pwu n TYR 118 N -2.41 0.00 -4.05 3.88 4.11 -1.26 -4.73 117.16 112.71 1pwu n TYR 118 Ca 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.94 1pwu n TYR 118 Cb 0.61 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.86 1pwu n TYR 118 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 1pwu s VAL 119 N -1.85 0.11 -0.30 -3.48 -7.23 -1.26 -0.30 120.40 106.10 1pwu s VAL 119 Ca 0.07 -1.66 -0.22 0.00 -1.81 0.00 0.00 61.98 58.36 1pwu s VAL 119 Cb 0.09 -1.82 0.19 0.00 0.56 0.00 0.00 36.38 35.40 1pwu s VAL 119 CO 0.40 -0.52 1.32 -0.47 -0.31 0.00 0.00 175.10 175.52 1pwu s TYR 120 N -3.98 -0.14 -0.27 2.82 5.04 -0.61 -4.98 117.35 115.23 1pwu s TYR 120 Ca 0.17 0.31 0.03 0.00 -2.44 0.00 0.00 57.07 55.14 1pwu s TYR 120 Cb 0.06 0.35 0.06 0.00 0.35 0.00 0.00 41.96 42.78 1pwu s TYR 120 CO -0.02 -0.07 -0.09 0.00 -1.34 0.00 0.00 175.55 174.03 1pwu s ALA 121 N 0.39 2.61 -0.17 3.97 0.00 -1.26 -0.28 121.76 127.02 1pwu s ALA 121 Ca 0.02 -1.83 -0.29 0.00 0.00 0.00 0.00 51.96 49.85 1pwu s ALA 121 Cb -0.04 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 1pwu s ALA 121 CO -0.13 -1.25 1.13 0.21 0.00 0.00 0.00 175.76 175.72 1pwu s LYS 122 N 1.09 4.28 0.00 0.00 2.20 0.17 -4.95 119.74 122.54 1pwu s LYS 122 Ca -0.07 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 1pwu s LYS 122 Cb -0.20 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 1pwu s LYS 122 CO -0.05 -0.59 0.00 -1.91 -0.36 0.00 0.00 175.35 172.44 1pwu n GLU 123 N 6.10 1.83 0.00 4.03 2.13 -1.26 -2.52 120.64 130.94 1pwu n GLU 123 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1pwu n GLU 123 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.17 1pwu n GLU 123 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pwu n GLY 124 N 1.91 -0.27 0.42 8.31 0.00 -1.26 -4.23 105.19 110.07 1pwu n GLY 124 Ca 0.00 -1.79 0.03 0.00 0.00 0.00 0.00 46.02 44.26 1pwu n GLY 124 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1pwu n TYR 125 N -0.24 0.30 -3.15 1.61 0.18 -1.26 -3.82 117.16 110.77 1pwu n TYR 125 Ca 0.00 -0.14 -0.20 0.00 1.88 0.00 0.00 57.90 59.44 1pwu n TYR 125 Cb 0.00 -0.02 -0.04 0.00 -0.38 0.00 0.00 39.34 38.90 1pwu n TYR 125 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 1pwu n GLU 126 N 0.10 0.84 -1.57 -3.48 2.13 -1.26 -4.93 120.64 112.47 1pwu n GLU 126 Ca 0.07 -3.15 -0.46 0.00 0.66 0.00 0.00 57.16 54.28 1pwu n GLU 126 Cb 0.20 -1.43 -0.02 0.00 0.27 0.00 0.00 31.44 30.46 1pwu n GLU 126 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1pwu n PRO 127 N 0.90 1.18 -3.88 5.31 -0.02 -1.25 -4.97 135.00 132.27 1pwu n PRO 127 Ca 0.21 0.42 -0.11 0.00 -2.02 0.00 0.00 63.50 62.00 1pwu n PRO 127 Cb 0.60 -1.79 -0.12 0.00 -0.02 0.00 0.00 33.50 32.17 1pwu n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pwu s VAL 128 N -0.80 0.05 -0.10 -1.45 1.01 -1.05 -3.14 120.40 114.93 1pwu s VAL 128 Ca 0.63 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1pwu s VAL 128 Cb -0.76 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 35.37 1pwu s VAL 128 CO 0.57 -0.24 -0.09 -0.22 0.00 0.00 0.00 175.10 175.12 1pwu s LEU 129 N -0.76 1.33 -0.12 3.92 2.96 -0.44 0.42 118.68 125.98 1pwu s LEU 129 Ca -0.08 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1pwu s LEU 129 Cb -0.05 -0.86 -0.01 0.00 0.50 0.00 0.00 46.19 45.77 1pwu s LEU 129 CO 0.00 -0.08 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.10 1pwu s VAL 130 N 1.44 2.66 -0.03 1.68 1.01 0.61 0.75 120.40 128.52 1pwu s VAL 130 Ca 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1pwu s VAL 130 Cb -0.13 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1pwu s VAL 130 CO -0.06 0.53 -0.06 -0.63 0.00 0.00 0.00 175.10 174.89 1pwu s ILE 131 N 0.42 0.55 0.61 2.22 1.01 -0.27 -1.57 121.20 124.18 1pwu s ILE 131 Ca -0.13 -0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 1pwu s ILE 131 Cb -0.17 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 1pwu s ILE 131 CO 0.06 0.20 1.07 -1.10 0.00 0.00 0.00 174.94 175.17 1pwu s GLN 132 N 0.52 3.20 -0.01 2.79 -0.21 0.59 -1.60 119.66 124.94 1pwu s GLN 132 Ca -0.07 1.22 -0.25 0.00 0.02 0.00 0.00 55.36 56.28 1pwu s GLN 132 Cb -0.10 -2.02 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 1pwu s GLN 132 CO 0.00 -0.91 0.76 0.45 -2.12 0.00 0.00 175.29 173.47 1pwu s SER 133 N -2.83 7.13 -0.22 5.90 0.15 -0.21 -4.81 113.70 118.81 1pwu s SER 133 Ca 0.64 1.36 -0.29 0.00 0.70 0.00 0.00 55.95 58.36 1pwu s SER 133 Cb -0.17 -2.45 0.16 0.00 -1.71 0.00 0.00 66.02 61.85 1pwu s SER 133 CO 0.39 -0.06 1.17 -0.55 1.20 0.00 0.00 173.24 175.38 1pwu s SER 134 N 0.40 -0.22 0.00 5.45 0.15 -1.26 -5.00 113.70 113.22 1pwu s SER 134 Ca 0.39 0.26 0.06 0.00 0.70 0.00 0.00 55.95 57.37 1pwu s SER 134 Cb -0.19 0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 64.27 1pwu s SER 134 CO 0.21 -0.19 0.34 1.21 1.20 0.00 0.00 173.24 176.01 1pwu n GLU 135 N 0.74 4.18 0.00 5.44 2.13 -1.26 -4.50 120.64 127.38 1pwu n GLU 135 Ca -0.06 -0.14 0.04 0.00 0.66 0.00 0.00 57.16 57.67 1pwu n GLU 135 Cb 0.58 -0.85 0.23 0.00 0.27 0.00 0.00 31.44 31.68 1pwu n GLU 135 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1pwu n ASP 136 N -0.92 0.00 0.12 4.31 8.00 -1.26 -2.59 116.55 124.21 1pwu n ASP 136 Ca 0.02 0.09 0.19 0.00 0.71 0.00 0.00 54.79 55.80 1pwu n ASP 136 Cb 0.11 -0.24 0.76 0.00 -0.02 0.00 0.00 41.12 41.73 1pwu n ASP 136 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1pwu h TYR 137 N 0.00 0.00 -0.07 1.24 0.99 -1.82 1.25 116.97 118.56 1pwu h TYR 137 Ca 0.00 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 1pwu h TYR 137 Cb 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.79 1pwu h TYR 137 CO 0.00 0.00 -0.27 0.28 -0.00 0.00 0.00 178.16 178.17 1pwu h VAL 138 N 0.00 1.22 0.00 -2.88 2.07 -1.88 -3.35 116.25 111.44 1pwu h VAL 138 Ca 0.17 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1pwu h VAL 138 Cb 0.94 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1pwu h VAL 138 CO -0.00 0.31 -1.18 -0.62 0.02 0.00 0.00 177.57 176.10 1pwu n GLU 139 N -4.18 0.50 -1.00 1.57 -0.58 0.30 -4.72 120.64 112.53 1pwu n GLU 139 Ca -0.02 0.20 -0.42 0.00 -0.42 0.00 0.00 57.16 56.51 1pwu n GLU 139 Cb 0.35 -1.38 -0.08 0.00 -0.57 0.00 0.00 31.44 29.76 1pwu n GLU 139 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1pwu n ASN 140 N -4.36 1.99 0.22 1.62 2.85 0.35 -4.67 115.26 113.27 1pwu n ASN 140 Ca -0.19 -2.61 0.14 0.00 -0.11 0.00 0.00 54.58 51.81 1pwu n ASN 140 Cb 0.55 -0.97 0.76 0.00 1.24 0.00 0.00 39.78 41.36 1pwu n ASN 140 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1pwu h THR 141 N 4.84 0.00 -0.51 -0.44 1.35 -1.82 -2.25 112.91 114.09 1pwu h THR 141 Ca 0.34 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 66.14 1pwu h THR 141 Cb 0.71 0.62 -0.02 0.00 -1.73 0.00 0.00 68.15 67.73 1pwu h THR 141 CO 1.91 0.00 0.08 -0.08 -0.25 0.00 0.00 175.52 177.18 1pwu h GLU 142 N 0.00 0.84 0.07 4.72 4.57 -1.91 -0.89 114.58 121.97 1pwu h GLU 142 Ca 0.00 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1pwu h GLU 142 Cb 0.09 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1pwu h GLU 142 CO 0.00 0.83 -0.03 0.87 -1.18 0.00 0.00 179.01 179.50 1pwu h LYS 143 N 0.72 -0.09 -0.93 1.92 1.57 -1.78 -2.73 116.57 115.25 1pwu h LYS 143 Ca 0.15 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.09 1pwu h LYS 143 Cb 0.40 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.63 1pwu h LYS 143 CO 0.01 0.36 0.53 0.00 -0.57 0.00 0.00 179.45 179.78 1pwu h ALA 144 N 0.30 1.45 -0.64 3.86 0.00 -1.56 0.31 119.26 122.97 1pwu h ALA 144 Ca -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1pwu h ALA 144 Cb 0.49 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1pwu h ALA 144 CO 0.02 -0.01 0.29 1.25 0.00 0.00 0.00 179.25 180.79 1pwu h LEU 145 N 0.74 0.84 -0.44 0.00 7.12 -1.14 -1.34 115.31 121.09 1pwu h LEU 145 Ca 0.51 -0.10 -0.18 0.00 0.13 0.00 0.00 57.88 58.24 1pwu h LEU 145 Cb 0.70 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.61 1pwu h LEU 145 CO -0.35 0.73 -0.71 0.78 -0.13 0.00 0.00 178.44 178.76 1pwu h ASN 146 N 0.92 0.44 -0.48 1.25 2.35 -0.21 -1.64 115.58 118.20 1pwu h ASN 146 Ca 0.22 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1pwu h ASN 146 Cb 0.13 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1pwu h ASN 146 CO -0.03 1.01 0.03 0.58 -1.65 0.00 0.00 177.43 177.38 1pwu h VAL 147 N 0.25 1.26 0.00 2.81 2.07 -0.30 -1.27 116.25 121.07 1pwu h VAL 147 Ca -0.03 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 1pwu h VAL 147 Cb 1.28 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1pwu h VAL 147 CO 0.12 0.35 -0.44 1.88 0.02 0.00 0.00 177.57 179.50 1pwu h TYR 148 N 0.70 0.00 0.19 1.57 0.99 -1.25 -1.41 116.97 117.76 1pwu h TYR 148 Ca 0.14 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.86 1pwu h TYR 148 Cb 0.46 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.19 1pwu h TYR 148 CO 0.03 0.44 -0.09 -0.92 -0.00 0.00 0.00 178.16 177.63 1pwu h TYR 149 N 0.00 -0.24 -0.78 4.88 3.20 -0.80 0.42 116.97 123.66 1pwu h TYR 149 Ca -0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.90 1pwu h TYR 149 Cb 0.82 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.13 1pwu h TYR 149 CO 0.00 -0.05 0.51 1.49 -1.64 0.00 0.00 178.16 178.47 1pwu h GLU 150 N -0.38 0.90 -0.08 1.82 4.57 -1.04 0.86 114.58 121.23 1pwu h GLU 150 Ca -0.03 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1pwu h GLU 150 Cb 0.29 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1pwu h GLU 150 CO 0.04 0.60 -0.03 0.82 -1.18 0.00 0.00 179.01 179.26 1pwu h ILE 151 N 0.93 1.31 -1.00 2.32 2.04 -0.82 -1.93 117.51 120.35 1pwu h ILE 151 Ca 0.32 -1.00 0.14 0.00 1.00 0.00 0.00 64.86 65.32 1pwu h ILE 151 Cb 0.10 1.81 -0.09 0.00 -0.74 0.00 0.00 36.82 37.90 1pwu h ILE 151 CO -0.10 0.28 0.62 1.23 0.00 0.00 0.00 178.15 180.19 1pwu h GLY 152 N -0.19 1.66 1.49 5.37 0.00 0.60 0.53 103.07 112.54 1pwu h GLY 152 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1pwu h GLY 152 CO 0.01 0.09 0.32 1.70 0.00 0.00 0.00 176.54 178.66 1pwu h LYS 153 N 0.90 0.68 -0.36 4.80 3.64 -0.54 -0.97 116.57 124.72 1pwu h LYS 153 Ca 0.52 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.71 1pwu h LYS 153 Cb 0.64 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1pwu h LYS 153 CO -0.30 0.46 -0.35 0.82 -2.27 0.00 0.00 179.45 177.81 1pwu h ILE 154 N 0.70 1.28 -0.46 2.00 2.04 0.79 -0.23 117.51 123.63 1pwu h ILE 154 Ca 0.19 -1.53 -0.04 0.00 1.00 0.00 0.00 64.86 64.48 1pwu h ILE 154 Cb -0.06 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1pwu h ILE 154 CO -0.04 0.51 0.14 0.25 0.00 0.00 0.00 178.15 179.01 1pwu h LEU 155 N 0.67 0.68 0.12 1.44 5.85 -0.14 0.13 115.31 124.05 1pwu h LEU 155 Ca 0.06 -0.21 -0.20 0.00 0.84 0.00 0.00 57.88 58.36 1pwu h LEU 155 Cb 0.94 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.81 1pwu h LEU 155 CO 0.09 0.71 -0.95 0.77 -0.34 0.00 0.00 178.44 178.71 1pwu h SER 156 N 0.61 0.40 0.69 1.25 4.64 -1.24 0.15 113.55 120.05 1pwu h SER 156 Ca 0.15 -0.91 -0.26 0.00 -0.47 0.00 0.00 61.79 60.29 1pwu h SER 156 Cb 0.28 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1pwu h SER 156 CO -0.00 1.44 -1.25 -0.09 -0.87 0.00 0.00 176.83 176.05 1pwu h ARG 157 N -0.41 0.19 0.00 4.77 2.43 -1.12 -3.13 114.38 117.11 1pwu h ARG 157 Ca -0.19 -0.32 -0.33 0.00 -0.81 0.00 0.00 59.98 58.33 1pwu h ARG 157 Cb 1.63 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 31.24 1pwu h ARG 157 CO 0.11 1.11 -2.25 -0.25 -1.51 0.00 0.00 179.97 177.18 1pwu n ASP 158 N -3.45 1.44 0.00 -3.80 10.43 0.34 -4.62 116.55 116.89 1pwu n ASP 158 Ca -0.08 -0.06 0.00 0.00 2.57 0.00 0.00 54.79 57.22 1pwu n ASP 158 Cb 1.01 0.29 0.00 0.00 1.84 0.00 0.00 41.12 44.26 1pwu n ASP 158 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1pwu n ILE 159 N -2.91 0.00 0.08 0.53 5.41 -0.55 -4.57 119.36 117.35 1pwu n ILE 159 Ca -0.34 0.47 0.19 0.00 1.00 0.00 0.00 62.75 64.06 1pwu n ILE 159 Cb 1.00 -1.46 0.73 0.00 -0.71 0.00 0.00 39.64 39.21 1pwu n ILE 159 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1pwu h LEU 160 N 0.00 0.00 -1.59 1.39 3.38 -0.87 -1.09 115.31 116.53 1pwu h LEU 160 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1pwu h LEU 160 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1pwu h LEU 160 CO 0.00 0.00 -0.22 0.77 0.09 0.00 0.00 178.44 179.08 1pwu h SER 161 N 0.00 0.00 0.41 -0.43 4.64 -1.47 0.15 113.55 116.85 1pwu h SER 161 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1pwu h SER 161 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1pwu h SER 161 CO -0.00 0.22 0.00 0.29 -0.87 0.00 0.00 176.83 176.47 1pwu n LYS 162 N -4.10 0.03 -1.59 4.77 5.02 -0.41 -2.18 118.16 119.70 1pwu n LYS 162 Ca -0.02 0.26 -0.02 0.00 -2.02 0.00 0.00 58.31 56.52 1pwu n LYS 162 Cb 0.29 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.88 1pwu n LYS 162 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1pwu n ILE 163 N -1.47 1.42 -3.77 -0.18 -5.35 -0.67 -5.00 119.36 104.33 1pwu n ILE 163 Ca 0.04 -2.70 -0.27 0.00 -0.27 0.00 0.00 62.75 59.55 1pwu n ILE 163 Cb 0.14 0.26 0.02 0.00 -1.74 0.00 0.00 39.64 38.32 1pwu n ILE 163 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1pwu n ASN 164 N -0.45 -2.64 -4.03 7.28 5.03 -0.93 -4.97 115.26 114.55 1pwu n ASN 164 Ca 0.18 -0.97 -0.09 0.00 0.87 0.00 0.00 54.58 54.57 1pwu n ASN 164 Cb 0.91 -3.44 -0.11 0.00 -1.02 0.00 0.00 39.78 36.11 1pwu n ASN 164 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1pwu s GLN 165 N -6.15 0.45 0.73 3.52 -0.21 -0.05 -4.37 119.66 113.57 1pwu s GLN 165 Ca 0.20 -0.84 -0.11 0.00 0.02 0.00 0.00 55.36 54.64 1pwu s GLN 165 Cb -0.07 0.08 0.03 0.00 1.00 0.00 0.00 33.01 34.05 1pwu s GLN 165 CO 0.86 -0.06 1.07 -2.14 -2.12 0.00 0.00 175.29 172.91 1pwu s PRO 166 N -2.31 2.64 0.00 2.91 0.02 -1.26 -2.93 135.00 134.06 1pwu s PRO 166 Ca -0.07 1.01 0.00 0.00 0.02 0.00 0.00 61.00 61.95 1pwu s PRO 166 Cb -0.04 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1pwu s PRO 166 CO -0.04 -1.33 0.00 0.98 -0.33 0.00 0.00 177.00 176.28 1pwu n TYR 167 N -3.29 0.00 -0.32 6.54 9.36 -1.26 -4.97 117.16 123.22 1pwu n TYR 167 Ca 0.08 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.48 1pwu n TYR 167 Cb 0.53 0.00 0.37 0.00 -0.63 0.00 0.00 39.34 39.62 1pwu n TYR 167 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1pwu h GLN 168 N 0.00 0.12 0.55 2.98 5.75 -1.95 -0.81 115.11 121.75 1pwu h GLN 168 Ca 0.00 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1pwu h GLN 168 Cb 0.00 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 1pwu h GLN 168 CO 0.00 0.08 -0.47 -0.22 -2.65 0.00 0.00 178.83 175.57 1pwu h LYS 169 N 0.12 -0.96 0.00 1.69 3.64 -1.96 0.26 116.57 119.36 1pwu h LYS 169 Ca 0.65 0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 60.08 1pwu h LYS 169 Cb 1.44 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1pwu h LYS 169 CO -0.75 -0.64 -0.06 0.35 -2.27 0.00 0.00 179.45 176.08 1pwu h PHE 170 N -0.99 0.00 -0.58 1.91 3.57 -1.78 -1.00 116.94 118.06 1pwu h PHE 170 Ca -0.07 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 1pwu h PHE 170 Cb 0.84 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 1pwu h PHE 170 CO -0.19 0.06 0.12 1.25 -2.23 0.00 0.00 178.31 177.32 1pwu h LEU 171 N 0.00 0.86 -1.03 0.59 6.46 -0.57 -2.15 115.31 119.48 1pwu h LEU 171 Ca -0.00 -0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 57.56 1pwu h LEU 171 Cb 0.11 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.78 1pwu h LEU 171 CO 0.01 0.85 0.35 0.44 -0.62 0.00 0.00 178.44 179.47 1pwu h ASP 172 N 0.87 0.94 -0.29 1.25 3.32 0.43 -2.06 116.42 120.89 1pwu h ASP 172 Ca 0.19 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1pwu h ASP 172 Cb 0.34 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1pwu h ASP 172 CO 0.00 0.80 0.17 0.58 -1.72 0.00 0.00 179.24 179.06 1pwu h VAL 173 N 1.03 1.12 -0.71 -1.35 2.07 -1.27 0.94 116.25 118.08 1pwu h VAL 173 Ca 0.25 -0.29 0.09 0.00 0.82 0.00 0.00 66.70 67.57 1pwu h VAL 173 Cb 0.11 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1pwu h VAL 173 CO -0.03 0.11 0.47 -0.07 0.02 0.00 0.00 177.57 178.07 1pwu h LEU 174 N 0.36 0.58 0.12 2.57 3.38 -0.82 0.48 115.31 121.97 1pwu h LEU 174 Ca 0.10 0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.81 1pwu h LEU 174 Cb 0.04 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1pwu h LEU 174 CO -0.02 0.35 -1.24 0.78 0.09 0.00 0.00 178.44 178.41 1pwu h ASN 175 N 0.64 0.38 -0.86 -0.43 2.35 -0.87 -1.85 115.58 114.95 1pwu h ASN 175 Ca 0.32 -0.42 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1pwu h ASN 175 Cb 0.41 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.61 1pwu h ASN 175 CO -0.11 1.33 0.41 0.74 -1.65 0.00 0.00 177.43 178.15 1pwu h THR 176 N 0.07 1.26 -0.41 2.81 2.02 0.08 -1.85 112.91 116.88 1pwu h THR 176 Ca -0.13 -0.74 -0.13 0.00 0.77 0.00 0.00 66.41 66.19 1pwu h THR 176 Cb 1.96 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1pwu h THR 176 CO 0.20 0.32 -0.24 0.40 0.37 0.00 0.00 175.52 176.56 1pwu h ILE 177 N 1.22 1.28 -0.08 3.11 1.08 -0.94 -2.38 117.51 120.80 1pwu h ILE 177 Ca 0.29 -1.39 -0.15 0.00 -0.39 0.00 0.00 64.86 63.22 1pwu h ILE 177 Cb 0.12 1.29 0.01 0.00 -3.07 0.00 0.00 36.82 35.17 1pwu h ILE 177 CO -0.04 0.47 -0.53 0.07 -0.69 0.00 0.00 178.15 177.43 1pwu h LYS 178 N 0.70 0.51 -0.00 2.37 2.10 -1.07 -3.30 116.57 117.87 1pwu h LYS 178 Ca 0.09 -0.43 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1pwu h LYS 178 Cb 0.81 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 1pwu h LYS 178 CO 0.07 1.07 -0.24 0.09 -2.00 0.00 0.00 179.45 178.43 1pwu n ASN 179 N -4.22 0.58 -4.37 7.07 3.02 -0.72 -4.93 115.26 111.68 1pwu n ASN 179 Ca -0.08 -0.45 -0.31 0.00 -0.03 0.00 0.00 54.58 53.71 1pwu n ASN 179 Cb 0.62 0.02 0.19 0.00 -0.61 0.00 0.00 39.78 40.00 1pwu n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pwu n ALA 180 N -1.08 -3.39 -0.48 5.41 0.00 -0.89 -4.97 120.51 115.11 1pwu n ALA 180 Ca 0.11 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1pwu n ALA 180 Cb 0.32 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1pwu n ALA 180 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pwu n SER 181 N -2.70 0.00 -4.66 0.00 2.88 -1.26 -4.62 113.62 103.26 1pwu n SER 181 Ca 0.03 0.70 -0.42 0.00 -1.33 0.00 0.00 58.87 57.85 1pwu n SER 181 Cb 0.58 -0.26 -0.03 0.00 -0.75 0.00 0.00 64.21 63.75 1pwu n SER 181 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1pwu s ASP 182 N -2.00 6.55 0.00 -3.46 2.15 -1.26 -4.89 116.67 113.76 1pwu s ASP 182 Ca 0.00 2.47 0.15 0.00 0.43 0.00 0.00 52.55 55.61 1pwu s ASP 182 Cb 0.00 -2.53 0.81 0.00 -0.30 0.00 0.00 42.92 40.89 1pwu s ASP 182 CO 0.00 -0.99 1.54 -1.54 -0.17 0.00 0.00 175.17 174.00 1pwu n SER 183 N 7.29 0.41 -0.17 -0.34 3.41 -1.26 -4.05 113.62 118.90 1pwu n SER 183 Ca 0.19 -1.60 -0.08 0.00 -0.26 0.00 0.00 58.87 57.11 1pwu n SER 183 Cb 0.42 -0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.34 1pwu n SER 183 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pwu h ASP 184 N 0.52 0.66 -0.89 4.04 3.45 -1.90 -2.47 116.42 119.83 1pwu h ASP 184 Ca 0.00 -0.17 0.26 0.00 0.43 0.00 0.00 57.03 57.55 1pwu h ASP 184 Cb 0.12 -0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 38.68 1pwu h ASP 184 CO 0.00 0.65 0.69 1.23 -1.57 0.00 0.00 179.24 180.24 1pwu h GLY 185 N 0.63 0.00 0.38 2.75 0.00 -1.68 -0.39 103.07 104.76 1pwu h GLY 185 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 1pwu h GLY 185 CO -0.01 0.00 -0.11 1.46 0.00 0.00 0.00 176.54 177.88 1pwu h GLN 186 N 0.00 0.09 -0.02 4.80 4.20 -1.70 -2.85 115.11 119.64 1pwu h GLN 186 Ca 0.42 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1pwu h GLN 186 Cb 1.80 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.60 1pwu h GLN 186 CO -0.00 0.80 0.02 -0.44 -0.67 0.00 0.00 178.83 178.54 1pwu h ASP 187 N -0.58 0.00 0.45 1.46 3.45 -1.05 0.52 116.42 120.67 1pwu h ASP 187 Ca -0.01 0.00 -0.31 0.00 0.43 0.00 0.00 57.03 57.14 1pwu h ASP 187 Cb 0.83 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.61 1pwu h ASP 187 CO 0.02 0.00 -1.45 0.25 -1.57 0.00 0.00 179.24 176.49 1pwu h LEU 188 N 0.00 0.52 0.00 1.55 5.85 -1.28 -3.42 115.31 118.52 1pwu h LEU 188 Ca 0.01 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1pwu h LEU 188 Cb 0.05 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1pwu h LEU 188 CO -0.00 1.50 -0.62 0.18 -0.34 0.00 0.00 178.44 179.16 1pwu n LEU 189 N -3.54 0.00 -4.96 2.25 4.77 -0.96 -5.05 117.00 109.50 1pwu n LEU 189 Ca -0.15 -0.11 -0.22 0.00 -0.03 0.00 0.00 56.01 55.51 1pwu n LEU 189 Cb 1.05 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.16 1pwu n LEU 189 CO 0.54 0.00 0.31 -0.36 -1.33 0.00 0.00 177.39 176.54 1pwu s PHE 190 N -1.45 3.07 0.26 -1.77 2.99 0.18 -4.60 117.98 116.66 1pwu s PHE 190 Ca 0.00 0.11 0.10 0.00 0.00 0.00 0.00 56.93 57.14 1pwu s PHE 190 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 43.02 40.50 1pwu s PHE 190 CO 0.00 -0.55 -0.02 0.95 -0.00 0.00 0.00 175.22 175.60 1pwu s THR 191 N -2.62 3.41 0.04 0.64 -4.23 -1.26 -4.76 115.64 106.85 1pwu s THR 191 Ca 0.52 -1.92 0.19 0.00 -1.18 0.00 0.00 61.69 59.30 1pwu s THR 191 Cb -0.10 -2.81 0.19 0.00 1.34 0.00 0.00 72.50 71.12 1pwu s THR 191 CO 0.38 -0.36 1.55 0.78 -0.54 0.00 0.00 174.62 176.42 1pwu h ASN 192 N 1.95 0.00 -0.10 3.99 4.21 -1.96 0.91 115.58 124.58 1pwu h ASN 192 Ca -0.44 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.04 1pwu h ASN 192 Cb 1.25 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.45 1pwu h ASN 192 CO 0.60 0.00 -0.05 -0.61 -1.29 0.00 0.00 177.43 176.08 1pwu h GLN 193 N 0.00 0.22 0.00 0.81 5.75 -2.00 -2.85 115.11 117.04 1pwu h GLN 193 Ca 0.00 -0.10 -0.19 0.00 -0.15 0.00 0.00 58.65 58.22 1pwu h GLN 193 Cb 0.36 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 1pwu h GLN 193 CO 0.00 0.58 -1.04 -0.07 -2.65 0.00 0.00 178.83 175.64 1pwu h LEU 194 N -0.15 0.00 -2.18 -2.39 3.38 -1.47 -3.27 115.31 109.23 1pwu h LEU 194 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1pwu h LEU 194 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1pwu h LEU 194 CO 0.02 0.80 -0.03 0.11 0.09 0.00 0.00 178.44 179.43 1pwu h LYS 195 N 0.00 0.00 0.00 1.13 1.57 -0.92 -2.88 116.57 115.47 1pwu h LYS 195 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1pwu h LYS 195 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.99 1pwu h LYS 195 CO 0.09 0.03 -1.40 0.39 -0.57 0.00 0.00 179.45 177.99 1pwu n GLU 196 N -3.20 0.35 -1.92 3.15 1.02 -1.08 -4.92 120.64 114.04 1pwu n GLU 196 Ca -0.01 -0.08 -0.42 0.00 -0.02 0.00 0.00 57.16 56.63 1pwu n GLU 196 Cb 0.20 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 1pwu n GLU 196 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1pwu s HIS 197 N -3.26 2.24 0.00 -0.32 2.46 -1.09 -4.96 115.29 110.36 1pwu s HIS 197 Ca 0.00 0.23 0.00 0.00 0.47 0.00 0.00 55.06 55.77 1pwu s HIS 197 Cb 0.15 -3.98 0.00 0.00 -0.13 0.00 0.00 32.58 28.62 1pwu s HIS 197 CO 0.87 -4.00 0.18 -2.30 -2.47 0.00 0.00 174.74 167.01 1pwu n PRO 198 N 6.05 0.00 -0.65 2.88 -0.02 -1.26 -4.89 135.00 137.10 1pwu n PRO 198 Ca 0.16 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.33 1pwu n PRO 198 Cb 0.41 -0.61 0.18 0.00 -0.02 0.00 0.00 33.50 33.46 1pwu n PRO 198 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1pwu n THR 199 N -0.24 0.00 -0.68 3.45 5.66 -1.26 -4.96 114.28 116.25 1pwu n THR 199 Ca 0.00 -0.30 -0.29 0.00 -3.05 0.00 0.00 64.05 60.41 1pwu n THR 199 Cb 0.00 -0.70 0.22 0.00 -1.55 0.00 0.00 70.33 68.30 1pwu n THR 199 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1pwu s ASP 200 N -2.01 1.68 -0.46 1.09 1.11 -1.26 -4.92 116.67 111.90 1pwu s ASP 200 Ca 0.59 1.62 -0.25 0.00 0.18 0.00 0.00 52.55 54.69 1pwu s ASP 200 Cb -0.17 -2.31 0.03 0.00 1.07 0.00 0.00 42.92 41.54 1pwu s ASP 200 CO 0.66 -3.78 0.90 -0.36 1.18 0.00 0.00 175.17 173.77 1pwu s PHE 201 N -2.58 2.93 0.71 4.23 0.40 -1.26 -5.03 117.98 117.39 1pwu s PHE 201 Ca 0.67 0.35 -0.11 0.00 -0.60 0.00 0.00 56.93 57.24 1pwu s PHE 201 Cb -0.23 -3.92 0.02 0.00 0.51 0.00 0.00 43.02 39.39 1pwu s PHE 201 CO 0.62 -1.08 1.08 -1.54 0.70 0.00 0.00 175.22 175.00 1pwu s SER 202 N 2.24 5.35 0.27 1.36 1.04 -1.26 -4.87 113.70 117.83 1pwu s SER 202 Ca 0.36 1.30 -0.00 0.00 0.48 0.00 0.00 55.95 58.08 1pwu s SER 202 Cb -0.10 -2.14 0.54 0.00 0.10 0.00 0.00 66.02 64.42 1pwu s SER 202 CO 0.26 -1.42 1.78 0.58 0.98 0.00 0.00 173.24 175.41 1pwu h VAL 203 N -0.71 0.76 -0.62 5.02 2.07 -2.00 -0.84 116.25 119.94 1pwu h VAL 203 Ca -0.45 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1pwu h VAL 203 Cb 1.24 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1pwu h VAL 203 CO 0.61 0.13 0.36 -0.33 0.02 0.00 0.00 177.57 178.36 1pwu h GLU 204 N 0.69 0.86 0.20 1.57 3.07 -2.00 -2.72 114.58 116.25 1pwu h GLU 204 Ca 0.47 -0.09 0.01 0.00 -0.50 0.00 0.00 59.36 59.25 1pwu h GLU 204 Cb 0.63 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.33 1pwu h GLU 204 CO -0.34 0.63 -0.49 0.35 -1.40 0.00 0.00 179.01 177.76 1pwu h PHE 205 N 0.84 -1.39 -0.54 4.33 3.04 -1.53 0.43 116.94 122.12 1pwu h PHE 205 Ca 0.22 0.03 0.16 0.00 3.98 0.00 0.00 57.97 62.36 1pwu h PHE 205 Cb 0.01 0.58 -0.02 0.00 2.56 0.00 0.00 35.95 39.08 1pwu h PHE 205 CO -0.01 -0.59 0.68 1.25 -2.02 0.00 0.00 178.31 177.61 1pwu h LEU 206 N -0.78 0.00 0.11 0.59 6.46 -1.19 0.16 115.31 120.66 1pwu h LEU 206 Ca -0.01 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.61 1pwu h LEU 206 Cb 0.76 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.71 1pwu h LEU 206 CO -0.23 0.00 -0.63 -0.33 -0.62 0.00 0.00 178.44 176.63 1pwu h GLU 207 N 0.00 0.24 0.00 1.25 5.08 -0.64 -3.17 114.58 117.34 1pwu h GLU 207 Ca 0.26 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1pwu h GLU 207 Cb 1.61 0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1pwu h GLU 207 CO -0.00 1.19 -0.15 -0.56 -1.00 0.00 0.00 179.01 178.48 1pwu h GLN 208 N -0.50 0.00 -0.80 2.33 3.07 -0.42 -3.27 115.11 115.52 1pwu h GLN 208 Ca -0.11 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.08 1pwu h GLN 208 Cb 1.50 0.00 -0.34 0.00 0.08 0.00 0.00 27.48 28.72 1pwu h GLN 208 CO 0.12 0.00 -0.10 0.09 0.09 0.00 0.00 178.83 179.03 1pwu n ASN 209 N -2.41 5.64 -0.28 0.06 3.02 0.41 -4.89 115.26 116.81 1pwu n ASN 209 Ca 0.05 -3.77 -0.08 0.00 -0.03 0.00 0.00 54.58 50.75 1pwu n ASN 209 Cb 0.46 -0.61 -0.07 0.00 -0.61 0.00 0.00 39.78 38.94 1pwu n ASN 209 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1pwu h SER 210 N 1.96 -1.47 -0.97 6.41 0.02 -1.61 -1.78 113.55 116.11 1pwu h SER 210 Ca 0.44 0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.65 1pwu h SER 210 Cb 1.31 0.65 -0.05 0.00 0.14 0.00 0.00 62.40 64.44 1pwu h SER 210 CO 1.03 -0.16 0.64 -1.13 -1.14 0.00 0.00 176.83 176.07 1pwu h ASN 211 N -0.01 1.08 -0.11 3.07 -1.24 -1.90 -2.55 115.58 113.92 1pwu h ASN 211 Ca 0.11 -0.02 0.05 0.00 0.71 0.00 0.00 56.30 57.15 1pwu h ASN 211 Cb 0.28 -0.26 -0.06 0.00 0.73 0.00 0.00 38.32 39.02 1pwu h ASN 211 CO -0.63 0.75 -0.31 -0.33 -1.29 0.00 0.00 177.43 175.62 1pwu h GLU 212 N 1.26 -0.38 -0.50 6.67 4.39 -1.73 -0.22 114.58 124.07 1pwu h GLU 212 Ca 0.38 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.10 1pwu h GLU 212 Cb -0.05 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1pwu h GLU 212 CO -0.11 -0.25 0.29 0.28 -1.16 0.00 0.00 179.01 178.06 1pwu h VAL 213 N -0.39 1.16 -0.40 3.13 2.07 -1.34 -1.90 116.25 118.57 1pwu h VAL 213 Ca 0.09 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.32 1pwu h VAL 213 Cb 0.54 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1pwu h VAL 213 CO -0.34 0.16 0.28 1.56 0.02 0.00 0.00 177.57 179.25 1pwu h GLN 214 N 0.66 0.22 0.20 1.57 4.20 -1.02 -2.19 115.11 118.76 1pwu h GLN 214 Ca 0.18 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1pwu h GLN 214 Cb 0.01 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1pwu h GLN 214 CO -0.03 0.15 -0.10 1.49 -0.67 0.00 0.00 178.83 179.67 1pwu h GLU 215 N 0.23 -0.26 -0.52 1.46 4.57 -0.23 -1.81 114.58 118.01 1pwu h GLU 215 Ca 0.18 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.45 1pwu h GLU 215 Cb 0.43 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.03 1pwu h GLU 215 CO -0.03 -0.02 0.22 0.28 -1.18 0.00 0.00 179.01 178.27 1pwu h VAL 216 N -0.47 0.87 -0.26 0.32 2.07 -1.16 -1.01 116.25 116.61 1pwu h VAL 216 Ca -0.03 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1pwu h VAL 216 Cb 0.36 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1pwu h VAL 216 CO 0.05 0.08 -0.08 0.15 0.02 0.00 0.00 177.57 177.78 1pwu h PHE 217 N 0.42 -0.19 -0.64 1.57 3.57 -1.31 -0.27 116.94 120.09 1pwu h PHE 217 Ca 0.25 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.84 1pwu h PHE 217 Cb 0.23 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 1pwu h PHE 217 CO -0.14 -0.14 0.33 0.00 -2.23 0.00 0.00 178.31 176.13 1pwu h ALA 218 N 1.21 0.86 -0.36 2.41 0.00 -0.46 0.16 119.26 123.08 1pwu h ALA 218 Ca 0.13 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1pwu h ALA 218 Cb 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1pwu h ALA 218 CO -0.28 -0.02 0.05 0.87 0.00 0.00 0.00 179.25 179.87 1pwu h LYS 219 N 0.60 0.60 -0.65 0.00 1.57 -0.53 -0.63 116.57 117.53 1pwu h LYS 219 Ca 0.30 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1pwu h LYS 219 Cb 0.24 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1pwu h LYS 219 CO -0.21 0.67 0.19 0.00 -0.57 0.00 0.00 179.45 179.53 1pwu h ALA 220 N 0.90 0.85 -0.10 3.86 0.00 -0.55 -0.93 119.26 123.30 1pwu h ALA 220 Ca 0.11 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1pwu h ALA 220 Cb 0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1pwu h ALA 220 CO 0.01 0.54 -0.01 0.35 0.00 0.00 0.00 179.25 180.14 1pwu h PHE 221 N 0.95 -0.02 0.30 0.00 3.57 -0.54 -1.48 116.94 119.71 1pwu h PHE 221 Ca 0.21 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1pwu h PHE 221 Cb 0.31 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1pwu h PHE 221 CO 0.02 -0.02 -0.32 0.00 -2.23 0.00 0.00 178.31 175.76 1pwu h ALA 222 N 1.09 -0.67 -0.53 2.41 0.00 -0.77 -0.03 119.26 120.76 1pwu h ALA 222 Ca 0.05 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1pwu h ALA 222 Cb 0.06 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1pwu h ALA 222 CO -0.09 -0.91 0.35 1.88 0.00 0.00 0.00 179.25 180.47 1pwu h TYR 223 N -0.66 0.50 0.00 0.00 -1.99 -1.11 -0.67 116.97 113.04 1pwu h TYR 223 Ca -0.01 0.01 -0.15 0.00 2.00 0.00 0.00 58.73 60.58 1pwu h TYR 223 Cb 0.61 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 1pwu h TYR 223 CO -0.20 0.27 -0.70 -0.92 -0.00 0.00 0.00 178.16 176.61 1pwu h TYR 224 N 0.50 0.00 0.17 4.88 3.20 -0.76 -1.84 116.97 123.12 1pwu h TYR 224 Ca 0.22 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.79 1pwu h TYR 224 Cb 0.26 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.54 1pwu h TYR 224 CO -0.00 0.70 -1.46 0.82 -1.64 0.00 0.00 178.16 176.58 1pwu h ILE 225 N 0.00 1.11 -2.51 1.81 1.08 -0.26 -3.43 117.51 115.30 1pwu h ILE 225 Ca -0.01 -2.51 -0.54 0.00 -0.39 0.00 0.00 64.86 61.41 1pwu h ILE 225 Cb 1.37 2.86 -0.04 0.00 -3.07 0.00 0.00 36.82 37.95 1pwu h ILE 225 CO 0.09 0.78 1.25 -0.70 -0.69 0.00 0.00 178.15 178.88 1pwu s GLU 226 N -2.53 3.10 0.37 2.37 -6.30 -0.33 -4.87 118.70 110.52 1pwu s GLU 226 Ca -0.16 0.90 0.23 0.00 -2.50 0.00 0.00 54.97 53.45 1pwu s GLU 226 Cb 0.04 -4.23 1.32 0.00 0.00 0.00 0.00 34.13 31.26 1pwu s GLU 226 CO 0.84 -2.16 1.49 -2.30 0.02 0.00 0.00 175.26 173.15 1pwu n PRO 227 N 8.70 -0.05 0.14 4.30 -0.02 -1.26 -1.03 135.00 145.79 1pwu n PRO 227 Ca 0.19 1.27 0.02 0.00 -2.02 0.00 0.00 63.50 62.96 1pwu n PRO 227 Cb 0.49 -2.35 0.12 0.00 -0.02 0.00 0.00 33.50 31.74 1pwu n PRO 227 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1pwu h GLN 228 N 0.00 0.00 -0.02 -0.52 1.08 -1.90 -3.29 115.11 110.47 1pwu h GLN 228 Ca 0.82 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 58.02 1pwu h GLN 228 Cb 2.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.75 1pwu h GLN 228 CO -0.64 0.53 -0.43 0.72 -0.95 0.00 0.00 178.83 178.07 1pwu n HIS 229 N -3.36 0.00 -0.24 2.96 8.25 -0.20 -4.48 115.22 118.15 1pwu n HIS 229 Ca 0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1pwu n HIS 229 Cb 0.68 -0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.95 1pwu n HIS 229 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1pwu h ARG 230 N 2.66 0.37 -0.70 -0.41 2.43 -1.00 -2.21 114.38 115.52 1pwu h ARG 230 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1pwu h ARG 230 Cb 0.78 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 1pwu h ARG 230 CO 0.00 0.25 0.36 -0.44 -1.51 0.00 0.00 179.97 178.63 1pwu h ASP 231 N 0.39 0.90 -0.85 -3.80 3.45 -1.81 -2.46 116.42 112.23 1pwu h ASP 231 Ca 0.38 -0.12 0.09 0.00 0.43 0.00 0.00 57.03 57.82 1pwu h ASP 231 Cb 0.57 -0.23 -0.06 0.00 -0.56 0.00 0.00 39.33 39.05 1pwu h ASP 231 CO -0.40 0.76 0.55 0.58 -1.57 0.00 0.00 179.24 179.16 1pwu h VAL 232 N 0.97 0.96 0.01 -1.35 2.07 -1.70 0.22 116.25 117.44 1pwu h VAL 232 Ca 0.24 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1pwu h VAL 232 Cb 0.08 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1pwu h VAL 232 CO -0.03 0.15 -0.01 0.25 0.02 0.00 0.00 177.57 177.95 1pwu h LEU 233 N 0.82 -0.02 -1.69 2.57 6.46 -1.30 -1.85 115.31 120.31 1pwu h LEU 233 Ca 0.39 -0.24 -0.04 0.00 -0.12 0.00 0.00 57.88 57.87 1pwu h LEU 233 Cb 0.42 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 1pwu h LEU 233 CO -0.16 0.23 -0.19 -0.61 -0.62 0.00 0.00 178.44 177.10 1pwu h GLN 234 N -0.27 0.00 0.08 1.25 4.15 -0.93 0.12 115.11 119.51 1pwu h GLN 234 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1pwu h GLN 234 Cb 0.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1pwu h GLN 234 CO 0.00 0.19 -0.04 1.25 -1.93 0.00 0.00 178.83 178.30 1pwu h LEU 235 N 0.00 -0.09 0.00 -2.39 5.85 -0.36 -3.32 115.31 115.00 1pwu h LEU 235 Ca -0.00 -0.51 -0.27 0.00 0.84 0.00 0.00 57.88 57.94 1pwu h LEU 235 Cb 0.38 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1pwu h LEU 235 CO 0.02 0.54 -1.87 -1.22 -0.34 0.00 0.00 178.44 175.58 1pwu n TYR 236 N -4.83 0.62 -3.32 1.25 4.01 -0.72 -4.63 117.16 109.54 1pwu n TYR 236 Ca -0.08 0.22 -0.25 0.00 -0.16 0.00 0.00 57.90 57.62 1pwu n TYR 236 Cb 0.30 -1.06 -0.08 0.00 -0.31 0.00 0.00 39.34 38.19 1pwu n TYR 236 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pwu n ALA 237 N -2.56 3.08 -0.32 -0.72 0.00 0.40 -3.13 120.51 117.26 1pwu n ALA 237 Ca -0.19 -3.91 -0.00 0.00 0.00 0.00 0.00 53.44 49.34 1pwu n ALA 237 Cb 1.00 -0.85 0.13 0.00 0.00 0.00 0.00 19.45 19.73 1pwu n ALA 237 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pwu h PRO 238 N 4.25 1.03 -0.75 0.00 0.11 -1.65 -1.48 132.00 133.50 1pwu h PRO 238 Ca 0.13 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.13 1pwu h PRO 238 Cb 0.80 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.64 1pwu h PRO 238 CO 0.60 0.68 0.27 0.93 -0.21 0.00 0.00 178.00 180.27 1pwu h GLU 239 N 1.06 1.14 -0.46 1.05 4.39 -1.91 0.29 114.58 120.15 1pwu h GLU 239 Ca 0.37 -0.22 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 1pwu h GLU 239 Cb 0.08 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1pwu h GLU 239 CO -0.14 0.95 -0.16 0.00 -1.16 0.00 0.00 179.01 178.49 1pwu h ALA 240 N 1.18 0.85 -0.02 3.43 0.00 -1.81 -1.28 119.26 121.60 1pwu h ALA 240 Ca 0.25 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1pwu h ALA 240 Cb 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pwu h ALA 240 CO -0.01 0.64 0.01 0.35 0.00 0.00 0.00 179.25 180.24 1pwu h PHE 241 N 0.78 0.03 -0.67 0.00 3.04 -0.63 -1.74 116.94 117.75 1pwu h PHE 241 Ca 0.12 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.12 1pwu h PHE 241 Cb 0.70 -0.01 -0.05 0.00 2.56 0.00 0.00 35.95 39.14 1pwu h PHE 241 CO 0.04 0.17 0.38 -0.91 -2.02 0.00 0.00 178.31 175.97 1pwu h ASN 242 N -0.11 0.58 0.18 0.41 -0.26 -0.84 0.16 115.58 115.70 1pwu h ASN 242 Ca 0.01 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 1pwu h ASN 242 Cb 0.15 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 1pwu h ASN 242 CO -0.00 0.38 -0.09 0.22 -1.06 0.00 0.00 177.43 176.88 1pwu h TYR 243 N 0.72 -0.24 0.00 1.19 5.03 -1.05 0.14 116.97 122.76 1pwu h TYR 243 Ca 0.29 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.54 1pwu h TYR 243 Cb 0.15 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 1pwu h TYR 243 CO -0.07 -0.15 -0.28 0.52 -1.32 0.00 0.00 178.16 176.86 1pwu h MET 244 N -0.25 0.00 0.16 1.82 2.86 -1.06 0.15 114.93 118.60 1pwu h MET 244 Ca -0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1pwu h MET 244 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1pwu h MET 244 CO 0.03 0.28 -0.08 0.22 1.06 0.00 0.00 176.91 178.42 1pwu h ASP 245 N 0.00 -0.18 -0.05 1.22 -0.00 -0.32 -0.85 116.42 116.23 1pwu h ASP 245 Ca -0.00 -0.29 -0.10 0.00 -0.00 0.00 0.00 57.03 56.63 1pwu h ASP 245 Cb 0.63 0.05 -0.01 0.00 -0.00 0.00 0.00 39.33 40.00 1pwu h ASP 245 CO 0.04 0.22 -0.27 0.50 -0.00 0.00 0.00 179.24 179.72 1pwu h LYS 246 N -0.62 0.50 -0.21 0.28 3.64 -0.77 -2.74 116.57 116.65 1pwu h LYS 246 Ca -0.02 -0.20 -0.07 0.00 -1.27 0.00 0.00 60.65 59.09 1pwu h LYS 246 Cb 0.46 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1pwu h LYS 246 CO 0.04 0.73 -0.13 0.35 -2.27 0.00 0.00 179.45 178.16 1pwu h PHE 247 N 0.44 0.54 0.00 1.91 3.57 -0.70 -2.35 116.94 120.34 1pwu h PHE 247 Ca 0.06 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1pwu h PHE 247 Cb 0.71 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1pwu h PHE 247 CO 0.02 0.77 0.00 -0.91 -2.23 0.00 0.00 178.31 175.96 1pwu h ASN 248 N 0.16 0.00 0.00 0.41 2.35 -1.12 0.74 115.58 118.12 1pwu h ASN 248 Ca 0.04 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.45 1pwu h ASN 248 Cb 0.64 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.96 1pwu h ASN 248 CO 0.04 0.00 -1.97 -0.62 -1.65 0.00 0.00 177.43 173.22 1pwu n GLU 249 N -2.74 0.57 0.00 0.81 -0.58 -1.04 -4.82 120.64 112.84 1pwu n GLU 249 Ca 0.02 0.35 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 1pwu n GLU 249 Cb 0.34 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1pwu n GLU 249 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1pwu n GLN 250 N -4.34 0.00 0.22 3.49 6.02 -0.89 -4.77 117.38 117.11 1pwu n GLN 250 Ca -0.43 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 1pwu n GLN 250 Cb 0.77 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.03 1pwu n GLN 250 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pwu n GLU 251 N -0.99 0.02 -0.09 -1.09 1.02 -1.18 -1.62 120.64 116.71 1pwu n GLU 251 Ca 0.00 0.63 -0.01 0.00 -0.02 0.00 0.00 57.16 57.76 1pwu n GLU 251 Cb 0.00 -2.30 0.25 0.00 -0.02 0.00 0.00 31.44 29.37 1pwu n GLU 251 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1pwu h ILE 252 N 0.00 1.20 -0.19 -3.67 6.09 -1.11 -2.80 117.51 117.03 1pwu h ILE 252 Ca 0.00 -0.69 -0.10 0.00 -1.37 0.00 0.00 64.86 62.70 1pwu h ILE 252 Cb 1.62 0.66 -0.01 0.00 0.47 0.00 0.00 36.82 39.56 1pwu h ILE 252 CO 0.00 0.26 -0.30 -1.13 -3.07 0.00 0.00 178.15 173.91 1pwu h ASN 253 N 0.72 0.39 0.68 2.19 -0.73 -1.59 -1.81 115.58 115.43 1pwu h ASN 253 Ca 0.17 -0.14 -0.06 0.00 1.87 0.00 0.00 56.30 58.14 1pwu h ASN 253 Cb 0.22 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.70 1pwu h ASN 253 CO -0.01 0.68 -0.30 -0.07 -0.37 0.00 0.00 177.43 177.36 1pwu h LEU 254 N 0.33 0.00 -0.23 0.34 3.38 -1.71 -0.13 115.31 117.29 1pwu h LEU 254 Ca 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1pwu h LEU 254 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1pwu h LEU 254 CO 0.05 0.30 -0.40 0.28 0.09 0.00 0.00 178.44 178.77 1pwu h SER 255 N 0.00 0.74 -0.02 -0.43 0.02 -1.20 0.73 113.55 113.39 1pwu h SER 255 Ca -0.00 -0.53 0.01 0.00 -0.84 0.00 0.00 61.79 60.42 1pwu h SER 255 Cb 0.73 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1pwu h SER 255 CO 0.04 1.13 -0.02 0.25 -1.14 0.00 0.00 176.83 177.09 1pwu h LEU 256 N 0.38 -0.07 -0.51 5.07 6.46 -0.84 0.44 115.31 126.25 1pwu h LEU 256 Ca 0.01 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.86 1pwu h LEU 256 Cb 0.99 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.89 1pwu h LEU 256 CO 0.09 -0.03 0.16 -0.08 -0.62 0.00 0.00 178.44 177.96 1pwu h GLU 257 N -0.03 0.32 -0.35 1.25 4.57 -0.90 0.45 114.58 119.89 1pwu h GLU 257 Ca 0.02 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 1pwu h GLU 257 Cb 0.05 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1pwu h GLU 257 CO -0.04 0.21 -0.18 1.49 -1.18 0.00 0.00 179.01 179.31 1pwu h GLU 258 N 0.33 0.65 -0.65 1.92 4.81 -0.50 -1.45 114.58 119.69 1pwu h GLU 258 Ca 0.25 -0.23 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1pwu h GLU 258 Cb 0.29 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1pwu h GLU 258 CO -0.27 0.79 0.06 1.25 -0.73 0.00 0.00 179.01 180.12 1pwu h LEU 259 N 0.58 1.07 -1.05 1.64 6.46 -0.04 -2.55 115.31 121.42 1pwu h LEU 259 Ca 0.09 -0.28 -0.06 0.00 -0.12 0.00 0.00 57.88 57.51 1pwu h LEU 259 Cb 0.64 -0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 1pwu h LEU 259 CO 0.04 1.09 0.04 0.11 -0.62 0.00 0.00 178.44 179.10 1pwu h LYS 260 N 1.02 0.72 0.00 1.25 1.57 -0.59 -2.22 116.57 118.32 1pwu h LYS 260 Ca 0.19 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1pwu h LYS 260 Cb 0.50 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1pwu h LYS 260 CO 0.02 0.71 0.00 0.22 -0.57 0.00 0.00 179.45 179.83 1pwu h ASP 261 N 0.69 0.00 1.86 0.86 1.82 -0.84 -0.74 116.42 120.07 1pwu h ASP 261 Ca 0.14 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 1pwu h ASP 261 Cb 0.37 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.38 1pwu h ASP 261 CO 0.01 0.00 -0.04 1.56 -1.61 0.00 0.00 179.24 179.16 1pwu h GLN 262 N 0.00 0.00 -5.70 0.28 1.08 -1.32 -3.46 115.11 105.99 1pwu h GLN 262 Ca 0.00 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.62 1pwu h GLN 262 Cb 0.08 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.42 1pwu h GLN 262 CO 0.00 0.04 -0.06 1.03 -0.95 0.00 0.00 178.83 178.89 1pwu s ARG 263 N -3.24 4.30 0.03 1.46 0.52 -0.28 -5.02 118.95 116.72 1pwu s ARG 263 Ca 0.06 0.50 -0.10 0.00 -0.52 0.00 0.00 55.73 55.67 1pwu s ARG 263 Cb 0.06 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 1pwu s ARG 263 CO 0.66 0.02 1.17 1.98 0.02 0.00 0.00 175.30 179.15 1pwu h MET 264 N 7.01 -0.23 -0.82 3.54 1.85 -1.88 0.44 114.93 124.83 1pwu h MET 264 Ca -0.38 0.02 0.19 0.00 -0.61 0.00 0.00 59.70 58.91 1pwu h MET 264 Cb 1.17 0.05 -0.05 0.00 0.43 0.00 0.00 31.60 33.20 1pwu h MET 264 CO 0.75 -0.15 0.56 -0.07 -0.40 0.00 0.00 176.91 177.60 1pwu h LEU 265 N -0.23 0.32 0.04 3.39 -0.00 -1.95 -0.88 115.31 116.01 1pwu h LEU 265 Ca -0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1pwu h LEU 265 Cb 0.23 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1pwu h LEU 265 CO -0.08 0.14 -0.02 0.28 -0.00 0.00 0.00 178.44 178.76 1pwu h SER 266 N 0.33 -0.05 -0.81 -0.43 0.02 -1.70 -1.46 113.55 109.45 1pwu h SER 266 Ca 0.42 -0.30 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1pwu h SER 266 Cb 1.12 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.63 1pwu h SER 266 CO -0.12 0.28 0.53 0.03 -1.14 0.00 0.00 176.83 176.41 1pwu h ARG 267 N -0.38 1.05 0.00 3.45 3.08 0.37 -1.95 114.38 119.99 1pwu h ARG 267 Ca -0.01 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1pwu h ARG 267 Cb 0.35 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1pwu h ARG 267 CO 0.01 0.69 -0.18 1.88 -1.07 0.00 0.00 179.97 181.30 1pwu h TYR 268 N 1.08 0.00 -0.05 3.04 0.05 -1.25 -2.10 116.97 117.74 1pwu h TYR 268 Ca 0.30 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.87 1pwu h TYR 268 Cb -0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.64 1pwu h TYR 268 CO -0.02 0.18 -0.85 1.49 -1.05 0.00 0.00 178.16 177.91 1pwu h GLU 269 N 0.00 0.50 0.11 4.88 4.81 -1.00 -2.24 114.58 121.63 1pwu h GLU 269 Ca -0.00 -0.46 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1pwu h GLU 269 Cb 1.14 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1pwu h GLU 269 CO 0.02 1.10 -0.05 -0.22 -0.73 0.00 0.00 179.01 179.13 1pwu h LYS 270 N 0.31 -0.14 -0.98 1.92 3.64 -1.29 -2.69 116.57 117.34 1pwu h LYS 270 Ca -0.06 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.45 1pwu h LYS 270 Cb 1.46 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 33.23 1pwu h LYS 270 CO 0.15 0.28 0.61 2.35 -2.27 0.00 0.00 179.45 180.57 1pwu h TRP 271 N -0.61 1.10 -0.22 1.91 2.91 -1.45 -2.33 115.95 117.26 1pwu h TRP 271 Ca -0.02 0.03 -0.12 0.00 1.13 0.00 0.00 58.89 59.91 1pwu h TRP 271 Cb 0.48 -0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 28.77 1pwu h TRP 271 CO 0.07 0.43 -0.38 0.93 -1.03 0.00 0.00 178.44 178.46 1pwu h GLU 272 N 0.96 0.50 -0.34 2.65 4.39 -1.35 -0.21 114.58 121.18 1pwu h GLU 272 Ca 0.49 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 59.87 1pwu h GLU 272 Cb 0.49 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1pwu h GLU 272 CO -0.27 0.80 -0.10 0.87 -1.16 0.00 0.00 179.01 179.15 1pwu h LYS 273 N 0.41 0.67 -0.65 2.33 1.57 -1.09 0.96 116.57 120.77 1pwu h LYS 273 Ca 0.04 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 1pwu h LYS 273 Cb 0.85 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 1pwu h LYS 273 CO 0.07 0.85 0.20 0.82 -0.57 0.00 0.00 179.45 180.82 1pwu h ILE 274 N 0.45 1.24 -0.51 1.86 2.04 -1.32 0.27 117.51 121.55 1pwu h ILE 274 Ca 0.08 -0.84 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 1pwu h ILE 274 Cb 0.61 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1pwu h ILE 274 CO 0.04 0.33 0.02 0.50 0.00 0.00 0.00 178.15 179.04 1pwu h LYS 275 N 0.97 0.88 -0.32 2.37 3.64 -0.81 -2.19 116.57 121.11 1pwu h LYS 275 Ca 0.21 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1pwu h LYS 275 Cb 0.28 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1pwu h LYS 275 CO -0.01 0.90 0.12 0.37 -2.27 0.00 0.00 179.45 178.56 1pwu h GLN 276 N 0.75 0.49 -0.48 1.90 4.15 -0.26 -0.90 115.11 120.76 1pwu h GLN 276 Ca 0.15 -0.09 0.07 0.00 0.77 0.00 0.00 58.65 59.55 1pwu h GLN 276 Cb 0.49 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 1pwu h GLN 276 CO 0.02 0.50 0.32 1.25 -1.93 0.00 0.00 178.83 179.00 1pwu h HIS 277 N 0.37 0.35 -0.42 3.99 2.76 -0.18 -1.62 115.15 120.39 1pwu h HIS 277 Ca 0.11 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1pwu h HIS 277 Cb 0.20 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1pwu h HIS 277 CO -0.00 0.18 0.00 0.66 -1.30 0.00 0.00 177.93 177.47 1pwu n TYR 278 N -4.47 0.55 -0.19 5.26 4.02 -0.85 -4.59 117.16 116.90 1pwu n TYR 278 Ca 0.07 -0.29 -0.00 0.00 -0.01 0.00 0.00 57.90 57.66 1pwu n TYR 278 Cb 0.30 -0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.70 1pwu n TYR 278 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1pwu h GLN 279 N 4.26 0.09 0.42 -0.72 5.75 -0.14 0.24 115.11 125.00 1pwu h GLN 279 Ca 0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1pwu h GLN 279 Cb 0.96 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.47 1pwu h GLN 279 CO 0.00 0.06 -0.36 1.25 -2.65 0.00 0.00 178.83 177.13 1pwu h HIS 280 N 0.09 -0.96 -0.61 3.99 2.76 -1.81 0.15 115.15 118.77 1pwu h HIS 280 Ca 0.30 0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.58 1pwu h HIS 280 Cb 0.47 0.36 -0.08 0.00 1.55 0.00 0.00 27.41 29.71 1pwu h HIS 280 CO -0.37 -0.51 0.15 2.35 -1.30 0.00 0.00 177.93 178.24 1pwu h TRP 281 N -0.78 0.24 0.30 5.26 7.01 -1.64 -1.58 115.95 124.75 1pwu h TRP 281 Ca -0.04 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1pwu h TRP 281 Cb 0.68 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.73 1pwu h TRP 281 CO -0.18 -0.01 -0.14 0.77 -2.79 0.00 0.00 178.44 176.09 1pwu h SER 282 N 0.28 -0.34 0.00 2.65 0.02 -0.30 -2.69 113.55 113.18 1pwu h SER 282 Ca 0.32 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1pwu h SER 282 Cb 0.47 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1pwu h SER 282 CO -0.39 -0.17 0.18 0.44 -1.14 0.00 0.00 176.83 175.76 1pwu h ASP 283 N -0.49 0.00 -0.04 3.07 3.32 -0.02 -1.14 116.42 121.12 1pwu h ASP 283 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1pwu h ASP 283 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1pwu h ASP 283 CO 0.07 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.05 1pwu n SER 284 N -2.82 2.74 -4.74 6.45 3.41 -0.66 -4.97 113.62 113.03 1pwu n SER 284 Ca -0.02 -1.86 -0.42 0.00 -0.26 0.00 0.00 58.87 56.31 1pwu n SER 284 Cb 0.24 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1pwu n SER 284 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pwu s LEU 285 N -1.70 4.37 0.81 1.04 1.43 -0.43 -5.01 118.68 119.18 1pwu s LEU 285 Ca 0.25 2.74 -0.07 0.00 -1.03 0.00 0.00 54.13 56.01 1pwu s LEU 285 Cb 0.17 -3.61 0.14 0.00 0.03 0.00 0.00 46.19 42.92 1pwu s LEU 285 CO 0.26 -0.81 1.12 -0.94 0.23 0.00 0.00 176.35 176.20 1pwu s SER 286 N 0.70 3.97 0.26 2.29 1.04 -1.26 -4.89 113.70 115.82 1pwu s SER 286 Ca 0.65 0.02 0.03 0.00 0.48 0.00 0.00 55.95 57.13 1pwu s SER 286 Cb -0.45 -0.32 0.35 0.00 0.10 0.00 0.00 66.02 65.70 1pwu s SER 286 CO 0.40 -2.14 1.65 -0.08 0.98 0.00 0.00 173.24 174.04 1pwu h GLU 287 N -0.96 0.35 -0.66 4.02 4.81 -1.99 -1.42 114.58 118.74 1pwu h GLU 287 Ca -0.41 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 58.56 1pwu h GLU 287 Cb 1.26 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 1pwu h GLU 287 CO 0.43 0.72 0.10 1.49 -0.73 0.00 0.00 179.01 181.02 1pwu h GLU 288 N 0.29 1.09 0.33 1.92 4.81 -1.99 -0.66 114.58 120.38 1pwu h GLU 288 Ca 0.02 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1pwu h GLU 288 Cb 0.88 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1pwu h GLU 288 CO 0.07 1.01 -0.16 0.78 -0.73 0.00 0.00 179.01 179.98 1pwu h GLY 289 N 1.01 -0.46 0.37 1.92 0.00 -1.83 -2.26 103.07 101.83 1pwu h GLY 289 Ca 0.20 0.17 0.15 0.00 0.00 0.00 0.00 47.33 47.85 1pwu h GLY 289 CO 0.01 -0.17 0.61 3.21 0.00 0.00 0.00 176.54 180.21 1pwu h ARG 290 N -0.63 0.78 -0.52 4.80 3.08 -1.13 -1.11 114.38 119.64 1pwu h ARG 290 Ca -0.04 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1pwu h ARG 290 Cb 0.45 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1pwu h ARG 290 CO 0.07 0.51 0.05 0.78 -1.07 0.00 0.00 179.97 180.32 1pwu h GLY 291 N 0.80 0.92 0.78 0.04 0.00 -0.93 -1.66 103.07 103.02 1pwu h GLY 291 Ca 0.51 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1pwu h GLY 291 CO -0.27 0.55 0.01 1.41 0.00 0.00 0.00 176.54 178.24 1pwu h LEU 292 N 0.80 0.16 -1.74 3.11 3.38 -0.62 -2.33 115.31 118.07 1pwu h LEU 292 Ca 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1pwu h LEU 292 Cb 0.41 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1pwu h LEU 292 CO 0.01 0.39 0.02 -0.07 0.09 0.00 0.00 178.44 178.88 1pwu h LEU 293 N -0.08 0.16 0.33 1.67 3.38 -1.25 -2.72 115.31 116.80 1pwu h LEU 293 Ca 0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1pwu h LEU 293 Cb 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1pwu h LEU 293 CO 0.00 0.18 -0.16 0.50 0.09 0.00 0.00 178.44 179.05 1pwu h LYS 294 N 0.18 -0.42 0.00 1.13 1.63 -1.01 -2.84 116.57 115.24 1pwu h LYS 294 Ca 0.05 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1pwu h LYS 294 Cb 0.09 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1pwu h LYS 294 CO -0.00 -0.11 0.00 0.36 -3.45 0.00 0.00 179.45 176.25 1pwu n LYS 295 N -5.14 0.04 0.23 1.90 2.85 -0.90 -0.28 118.16 116.86 1pwu n LYS 295 Ca -0.10 0.30 0.13 0.00 -1.05 0.00 0.00 58.31 57.60 1pwu n LYS 295 Cb 0.27 -1.50 0.31 0.00 -0.65 0.00 0.00 35.03 33.45 1pwu n LYS 295 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1pwu h LEU 296 N 0.00 0.00 0.00 -5.58 6.46 -1.24 -3.25 115.31 111.71 1pwu h LEU 296 Ca 0.00 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.61 1pwu h LEU 296 Cb 0.14 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 1pwu h LEU 296 CO 0.00 0.00 -2.15 0.00 -0.62 0.00 0.00 178.44 175.67 1pwu n GLN 297 N -3.10 0.68 -3.67 1.25 6.02 0.61 -4.77 117.38 114.40 1pwu n GLN 297 Ca 0.03 -0.12 -0.29 0.00 -0.01 0.00 0.00 57.00 56.61 1pwu n GLN 297 Cb 0.47 -1.52 -0.16 0.00 1.02 0.00 0.00 30.24 30.06 1pwu n GLN 297 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1pwu s ILE 298 N -3.10 0.43 0.75 5.09 -4.36 -0.93 -5.13 121.20 113.95 1pwu s ILE 298 Ca -0.09 -0.91 -0.15 0.00 -0.26 0.00 0.00 60.65 59.24 1pwu s ILE 298 Cb 0.11 -1.22 0.03 0.00 1.25 0.00 0.00 42.46 42.63 1pwu s ILE 298 CO 0.88 -0.55 1.09 -2.65 0.24 0.00 0.00 174.94 173.95 1pwu n PRO 299 N 5.05 0.45 -3.48 0.37 -0.02 -1.26 -4.58 135.00 131.53 1pwu n PRO 299 Ca -0.05 0.22 -0.39 0.00 -2.02 0.00 0.00 63.50 61.26 1pwu n PRO 299 Cb 0.44 -2.34 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 1pwu n PRO 299 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1pwu s ILE 300 N -1.88 5.24 0.44 4.25 1.01 -0.35 -4.91 121.20 125.00 1pwu s ILE 300 Ca 0.74 0.31 -0.13 0.00 0.00 0.00 0.00 60.65 61.57 1pwu s ILE 300 Cb -0.33 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 1pwu s ILE 300 CO 0.49 0.16 0.85 -0.70 0.00 0.00 0.00 174.94 175.74 1pwu s GLU 301 N 1.91 3.84 0.38 2.79 2.56 -1.26 -0.43 118.70 128.50 1pwu s GLU 301 Ca 0.11 0.64 -0.28 0.00 0.00 0.00 0.00 54.97 55.44 1pwu s GLU 301 Cb -0.16 -2.30 -0.11 0.00 2.00 0.00 0.00 34.13 33.56 1pwu s GLU 301 CO 0.11 -0.12 1.48 -2.30 -0.56 0.00 0.00 175.26 173.87 1pwu n PRO 302 N -1.40 2.64 -3.21 4.30 -0.02 -1.26 -4.94 135.00 131.10 1pwu n PRO 302 Ca 0.04 0.93 -0.42 0.00 -2.02 0.00 0.00 63.50 62.02 1pwu n PRO 302 Cb 0.54 -2.66 -0.08 0.00 -0.02 0.00 0.00 33.50 31.28 1pwu n PRO 302 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1pwu s LYS 303 N -2.13 3.36 0.31 -0.52 -0.14 -1.26 -4.94 119.74 114.42 1pwu s LYS 303 Ca 0.54 -0.39 0.06 0.00 -1.36 0.00 0.00 55.97 54.82 1pwu s LYS 303 Cb -0.47 -3.90 0.83 0.00 -1.68 0.00 0.00 37.83 32.60 1pwu s LYS 303 CO 0.63 -0.83 1.67 0.87 -0.76 0.00 0.00 175.35 176.93 1pwu h LYS 304 N 8.68 0.30 0.42 1.68 1.57 -2.00 -0.85 116.57 126.37 1pwu h LYS 304 Ca -0.27 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1pwu h LYS 304 Cb 1.11 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1pwu h LYS 304 CO 0.82 0.20 -0.47 -0.44 -0.57 0.00 0.00 179.45 178.99 1pwu h ASP 305 N 0.31 -1.32 -0.51 0.86 5.19 -2.01 -2.81 116.42 116.12 1pwu h ASP 305 Ca 0.61 0.11 0.10 0.00 -0.62 0.00 0.00 57.03 57.23 1pwu h ASP 305 Cb 1.26 0.44 -0.10 0.00 0.18 0.00 0.00 39.33 41.12 1pwu h ASP 305 CO -0.60 -0.61 -0.12 0.44 -3.12 0.00 0.00 179.24 175.23 1pwu h ASP 306 N -0.91 -0.47 0.00 6.45 5.19 -1.61 -2.86 116.42 122.22 1pwu h ASP 306 Ca -0.05 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1pwu h ASP 306 Cb 0.80 0.31 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1pwu h ASP 306 CO -0.09 -0.17 0.00 -0.38 -3.12 0.00 0.00 179.24 175.49 1pwu n ILE 307 N -5.36 0.00 -0.17 0.35 2.08 -0.65 -1.83 119.36 113.78 1pwu n ILE 307 Ca 0.05 1.49 -0.07 0.00 0.56 0.00 0.00 62.75 64.78 1pwu n ILE 307 Cb 0.27 -2.03 -0.06 0.00 -0.75 0.00 0.00 39.64 37.08 1pwu n ILE 307 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1pwu h ILE 308 N 0.00 0.00 -0.92 1.39 1.08 -1.34 -2.50 117.51 115.22 1pwu h ILE 308 Ca 0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 1pwu h ILE 308 Cb 0.00 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.63 1pwu h ILE 308 CO 0.00 0.00 -0.54 -0.74 -0.69 0.00 0.00 178.15 176.18 1pwu h HIS 309 N -0.09 -1.69 0.00 1.37 2.76 -1.28 0.40 115.15 116.62 1pwu h HIS 309 Ca 0.07 0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1pwu h HIS 309 Cb 0.27 0.86 0.00 0.00 1.55 0.00 0.00 27.41 30.09 1pwu h HIS 309 CO -0.86 -0.39 0.00 0.43 -1.30 0.00 0.00 177.93 175.81 1pwu n SER 310 N -5.31 0.00 0.00 3.26 7.64 -0.76 -4.38 113.62 114.06 1pwu n SER 310 Ca 0.03 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.38 1pwu n SER 310 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1pwu n SER 310 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1pwu n LEU 311 N -0.57 0.00 0.00 -3.43 4.77 0.14 -5.08 117.00 112.83 1pwu n LEU 311 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1pwu n LEU 311 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1pwu n LEU 311 CO 0.01 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.83 1pwu n SER 312 N 0.00 0.00 -0.25 -1.43 2.88 -1.26 -4.90 113.62 108.66 1pwu n SER 312 Ca 0.00 0.00 0.25 0.00 -1.33 0.00 0.00 58.87 57.79 1pwu n SER 312 Cb 0.00 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.07 1pwu n SER 312 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1pwu h GLN 313 N 0.00 0.21 0.06 -1.46 -0.00 -1.97 0.29 115.11 112.24 1pwu h GLN 313 Ca 0.00 -0.01 -0.22 0.00 -0.00 0.00 0.00 58.65 58.41 1pwu h GLN 313 Cb 0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.42 1pwu h GLN 313 CO 0.00 0.14 -1.16 0.93 -0.00 0.00 0.00 178.83 178.74 1pwu h GLU 314 N 0.22 0.14 0.12 0.06 5.08 -2.01 -3.36 114.58 114.83 1pwu h GLU 314 Ca 0.50 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1pwu h GLU 314 Cb 1.56 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.89 1pwu h GLU 314 CO -0.13 1.11 -0.12 0.93 -1.00 0.00 0.00 179.01 179.81 1pwu h GLU 315 N -0.60 -0.25 -1.05 2.33 5.08 -1.61 -1.85 114.58 116.63 1pwu h GLU 315 Ca -0.27 0.02 0.34 0.00 -1.00 0.00 0.00 59.36 58.44 1pwu h GLU 315 Cb 1.52 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 30.69 1pwu h GLU 315 CO -0.03 -0.17 0.62 0.87 -1.00 0.00 0.00 179.01 179.30 1pwu h LYS 316 N -0.26 0.28 -0.75 2.33 1.57 -0.67 1.40 116.57 120.47 1pwu h LYS 316 Ca 0.01 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1pwu h LYS 316 Cb 0.25 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 1pwu h LYS 316 CO -0.03 0.18 0.44 0.93 -0.57 0.00 0.00 179.45 180.40 1pwu h GLU 317 N 0.29 0.80 -0.06 3.15 5.08 -1.48 -1.84 114.58 120.51 1pwu h GLU 317 Ca 0.74 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.89 1pwu h GLU 317 Cb 1.81 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 1pwu h GLU 317 CO -0.56 0.53 -0.68 1.25 -1.00 0.00 0.00 179.01 178.55 1pwu h LEU 318 N 0.82 0.33 -0.54 1.33 5.85 0.20 -3.17 115.31 120.14 1pwu h LEU 318 Ca 0.32 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1pwu h LEU 318 Cb 0.15 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1pwu h LEU 318 CO -0.17 0.91 -0.48 0.25 -0.34 0.00 0.00 178.44 178.62 1pwu h LEU 319 N 0.20 0.00 -1.92 2.25 6.46 -1.07 -3.29 115.31 117.94 1pwu h LEU 319 Ca -0.02 0.00 0.25 0.00 -0.12 0.00 0.00 57.88 57.99 1pwu h LEU 319 Cb 1.22 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.12 1pwu h LEU 319 CO 0.11 0.48 0.69 0.11 -0.62 0.00 0.00 178.44 179.21 1pwu h LYS 320 N 0.00 0.00 -0.85 1.25 1.57 -1.31 -3.26 116.57 113.98 1pwu h LYS 320 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1pwu h LYS 320 Cb 1.14 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.29 1pwu h LYS 320 CO 0.06 0.00 -0.49 -2.13 -0.57 0.00 0.00 179.45 176.32 1pwu n ARG 321 N -4.02 0.58 -4.93 3.15 3.00 -1.24 -4.96 116.66 108.24 1pwu n ARG 321 Ca 0.18 -1.99 -0.31 0.00 -0.00 0.00 0.00 57.85 55.73 1pwu n ARG 321 Cb 1.00 -1.47 -0.14 0.00 0.00 0.00 0.00 32.46 31.84 1pwu n ARG 321 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1pwu s ILE 322 N 0.84 2.32 -0.33 5.15 2.07 -1.23 -5.09 121.20 124.93 1pwu s ILE 322 Ca 0.30 -1.25 -0.12 0.00 -1.41 0.00 0.00 60.65 58.17 1pwu s ILE 322 Cb 0.03 -1.90 -0.02 0.00 0.13 0.00 0.00 42.46 40.71 1pwu s ILE 322 CO -0.08 0.42 0.22 -1.58 -1.91 0.00 0.00 174.94 172.01 1pwu s GLN 323 N -1.13 3.51 0.58 3.50 0.74 -1.26 -4.89 119.66 120.71 1pwu s GLN 323 Ca 0.12 -0.62 0.33 0.00 0.05 0.00 0.00 55.36 55.24 1pwu s GLN 323 Cb -0.10 -3.75 1.76 0.00 1.10 0.00 0.00 33.01 32.01 1pwu s GLN 323 CO 0.02 -0.41 2.17 0.82 -0.55 0.00 0.00 175.29 177.33 1pwu h ILE 324 N 5.51 0.32 0.00 -2.34 5.03 -1.98 -1.41 117.51 122.64 1pwu h ILE 324 Ca -0.32 -0.32 0.00 0.00 -0.12 0.00 0.00 64.86 64.11 1pwu h ILE 324 Cb 1.16 1.23 0.00 0.00 -3.03 0.00 0.00 36.82 36.18 1pwu h ILE 324 CO 0.62 0.05 0.00 0.44 -0.68 0.00 0.00 178.15 178.58 1pwu h ASP 325 N 0.00 0.00 0.87 1.72 3.32 -1.94 -3.12 116.42 117.27 1pwu h ASP 325 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pwu h ASP 325 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1pwu h ASP 325 CO 0.01 0.00 -0.20 -0.24 -1.72 0.00 0.00 179.24 177.09 1pwu n SER 326 N -2.40 0.26 -4.84 6.45 2.88 -0.53 -4.91 113.62 110.53 1pwu n SER 326 Ca 0.04 0.24 -0.32 0.00 -1.33 0.00 0.00 58.87 57.50 1pwu n SER 326 Cb 0.37 -0.24 -0.04 0.00 -0.75 0.00 0.00 64.21 63.54 1pwu n SER 326 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1pwu s SER 327 N -3.19 6.66 -0.06 -3.46 1.04 -1.18 -4.97 113.70 108.55 1pwu s SER 327 Ca 0.12 1.58 0.08 0.00 0.48 0.00 0.00 55.95 58.22 1pwu s SER 327 Cb 0.18 -2.51 0.13 0.00 0.10 0.00 0.00 66.02 63.92 1pwu s SER 327 CO 0.60 -0.55 1.04 -0.90 0.98 0.00 0.00 173.24 174.40 1pwu n ASP 328 N -1.45 1.89 0.00 7.02 5.75 -1.26 -4.62 116.55 123.88 1pwu n ASP 328 Ca 0.07 -2.42 0.00 0.00 -0.01 0.00 0.00 54.79 52.42 1pwu n ASP 328 Cb 0.54 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1pwu n ASP 328 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1pwu n PHE 329 N -0.85 0.00 -5.22 2.11 1.16 -1.26 -5.03 117.46 108.37 1pwu n PHE 329 Ca 0.07 -0.15 -0.32 0.00 -1.87 0.00 0.00 57.45 55.19 1pwu n PHE 329 Cb 0.47 -0.01 -0.16 0.00 -1.61 0.00 0.00 39.48 38.16 1pwu n PHE 329 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1pwu s LEU 330 N -0.29 2.13 0.38 5.98 1.43 -1.26 -5.11 118.68 121.94 1pwu s LEU 330 Ca 0.00 -0.50 -0.25 0.00 -1.03 0.00 0.00 54.13 52.35 1pwu s LEU 330 Cb 0.00 -1.40 -0.09 0.00 0.03 0.00 0.00 46.19 44.73 1pwu s LEU 330 CO 0.00 0.22 1.04 -0.94 0.23 0.00 0.00 176.35 176.90 1pwu s SER 331 N -0.04 6.87 0.35 2.29 1.04 -1.26 -4.79 113.70 118.16 1pwu s SER 331 Ca -0.07 2.02 0.13 0.00 0.48 0.00 0.00 55.95 58.51 1pwu s SER 331 Cb -0.15 -2.59 0.99 0.00 0.10 0.00 0.00 66.02 64.38 1pwu s SER 331 CO 0.05 -0.41 1.73 0.71 0.98 0.00 0.00 173.24 176.29 1pwu h THR 332 N 2.30 0.48 -0.59 2.02 1.35 -1.98 0.73 112.91 117.22 1pwu h THR 332 Ca -0.48 -0.16 0.12 0.00 -0.55 0.00 0.00 66.41 65.34 1pwu h THR 332 Cb 1.21 -0.04 -0.11 0.00 -1.73 0.00 0.00 68.15 67.49 1pwu h THR 332 CO 0.63 0.09 -0.08 -0.08 -0.25 0.00 0.00 175.52 175.83 1pwu h GLU 333 N 0.48 0.05 -0.17 4.72 4.57 -2.01 -0.14 114.58 122.07 1pwu h GLU 333 Ca 0.65 -0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.68 1pwu h GLU 333 Cb 1.41 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.00 1pwu h GLU 333 CO -0.45 0.03 -0.47 0.93 -1.18 0.00 0.00 179.01 177.88 1pwu h GLU 334 N 0.05 0.62 0.06 1.92 5.08 -0.00 -3.29 114.58 119.01 1pwu h GLU 334 Ca 0.29 -0.44 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1pwu h GLU 334 Cb 0.46 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1pwu h GLU 334 CO -0.56 1.06 -0.36 0.87 -1.00 0.00 0.00 179.01 179.02 1pwu h LYS 335 N 0.29 -0.53 -0.71 2.33 1.57 0.14 -1.70 116.57 117.96 1pwu h LYS 335 Ca -0.01 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.94 1pwu h LYS 335 Cb 1.08 0.12 -0.13 0.00 0.08 0.00 0.00 32.23 33.38 1pwu h LYS 335 CO 0.10 -0.36 -0.23 0.93 -0.57 0.00 0.00 179.45 179.33 1pwu h GLU 336 N -0.55 -0.04 -0.15 3.15 5.08 -1.17 -0.82 114.58 120.07 1pwu h GLU 336 Ca 0.04 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1pwu h GLU 336 Cb 0.61 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1pwu h GLU 336 CO -0.25 -0.03 0.00 0.35 -1.00 0.00 0.00 179.01 178.08 1pwu h PHE 337 N -0.04 -0.01 0.48 4.33 3.57 -1.51 -3.04 116.94 120.72 1pwu h PHE 337 Ca 0.32 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 1pwu h PHE 337 Cb 0.54 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1pwu h PHE 337 CO -0.61 -0.02 -0.47 -0.07 -2.23 0.00 0.00 178.31 174.91 1pwu h LEU 338 N 0.05 -1.28 -1.90 0.59 3.38 -0.27 -2.15 115.31 113.73 1pwu h LEU 338 Ca 0.07 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1pwu h LEU 338 Cb 0.08 0.42 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1pwu h LEU 338 CO -0.12 -0.63 0.38 0.07 0.09 0.00 0.00 178.44 178.23 1pwu h LYS 339 N -0.95 0.00 0.00 1.13 2.10 -1.35 0.88 116.57 118.39 1pwu h LYS 339 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1pwu h LYS 339 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 1pwu h LYS 339 CO -0.06 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.02 1pwu n LYS 340 N -2.94 0.56 -0.02 0.07 5.02 -0.81 -3.07 118.16 116.98 1pwu n LYS 340 Ca -0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.18 1pwu n LYS 340 Cb 0.43 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.80 1pwu n LYS 340 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1pwu n LEU 341 N -1.22 1.08 0.40 -0.35 4.77 0.31 -3.81 117.00 118.19 1pwu n LEU 341 Ca 0.17 0.38 -0.18 0.00 -0.03 0.00 0.00 56.01 56.35 1pwu n LEU 341 Cb 0.21 0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 1pwu n LEU 341 CO 0.22 0.45 0.54 1.56 -1.33 0.00 0.00 177.39 178.83 1pwu h GLN 342 N 0.01 -0.98 -0.78 3.23 4.20 -1.59 -2.87 115.11 116.33 1pwu h GLN 342 Ca -0.31 0.07 0.23 0.00 0.06 0.00 0.00 58.65 58.69 1pwu h GLN 342 Cb 2.02 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 29.99 1pwu h GLN 342 CO 0.08 -0.63 0.82 0.82 -0.67 0.00 0.00 178.83 179.25 1pwu h ILE 343 N -1.12 0.21 -0.38 2.54 2.04 -1.72 0.22 117.51 119.30 1pwu h ILE 343 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1pwu h ILE 343 Cb 0.80 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1pwu h ILE 343 CO 0.17 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.79 1pwu n ASP 344 N -3.57 2.17 -0.00 1.72 8.00 -1.08 -3.85 116.55 119.94 1pwu n ASP 344 Ca 0.17 -1.96 0.08 0.00 0.71 0.00 0.00 54.79 53.79 1pwu n ASP 344 Cb 1.09 -0.25 -0.11 0.00 -0.02 0.00 0.00 41.12 41.82 1pwu n ASP 344 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1pwu n ILE 345 N 0.68 0.00 -1.53 0.53 5.41 0.07 -4.95 119.36 119.57 1pwu n ILE 345 Ca 0.14 -0.20 -0.39 0.00 1.00 0.00 0.00 62.75 63.30 1pwu n ILE 345 Cb 0.35 0.68 -0.07 0.00 -0.71 0.00 0.00 39.64 39.89 1pwu n ILE 345 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1pwu n ARG 346 N -1.66 0.72 0.00 0.38 3.00 -1.25 -4.77 116.66 113.07 1pwu n ARG 346 Ca 0.01 0.03 0.00 0.00 -0.01 0.00 0.00 57.85 57.88 1pwu n ARG 346 Cb 0.34 -2.72 0.00 0.00 0.00 0.00 0.00 32.46 30.08 1pwu n ARG 346 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1pwu n ASP 347 N 13.59 0.00 -4.52 0.55 -0.08 -1.26 -5.15 116.55 119.68 1pwu n ASP 347 Ca 0.47 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.45 1pwu n ASP 347 Cb 0.35 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.70 1pwu n ASP 347 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1pwu s SER 348 N 1.00 4.10 0.00 1.67 0.15 -1.26 -4.69 113.70 114.66 1pwu s SER 348 Ca 0.00 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1pwu s SER 348 Cb 0.00 -0.71 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1pwu s SER 348 CO 0.00 0.21 0.00 0.18 1.20 0.00 0.00 173.24 174.83 1pwu n LEU 349 N 1.08 -1.40 -0.12 3.45 4.77 -1.26 -4.98 117.00 118.55 1pwu n LEU 349 Ca -0.15 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1pwu n LEU 349 Cb 0.52 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1pwu n LEU 349 CO 0.30 0.00 0.18 -1.54 -1.33 0.00 0.00 177.39 174.99 1pwu n SER 350 N -0.74 -0.20 -0.31 -1.43 3.41 -1.26 -1.23 113.62 111.85 1pwu n SER 350 Ca 0.00 0.53 0.31 0.00 -0.26 0.00 0.00 58.87 59.45 1pwu n SER 350 Cb 0.35 -0.12 0.57 0.00 -0.26 0.00 0.00 64.21 64.75 1pwu n SER 350 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1pwu n GLU 351 N -4.44 -0.06 -0.05 4.33 2.13 -1.26 -0.24 120.64 121.05 1pwu n GLU 351 Ca 0.03 1.31 -0.08 0.00 0.66 0.00 0.00 57.16 59.08 1pwu n GLU 351 Cb 0.12 -2.36 -0.02 0.00 0.27 0.00 0.00 31.44 29.45 1pwu n GLU 351 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1pwu h GLU 352 N 0.00 -0.09 -0.77 5.31 4.39 -1.55 -2.99 114.58 118.88 1pwu h GLU 352 Ca 0.81 0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.63 1pwu h GLU 352 Cb 2.18 0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 30.73 1pwu h GLU 352 CO -0.72 -0.06 -0.32 -1.91 -1.16 0.00 0.00 179.01 174.84 1pwu n GLU 353 N -5.28 -0.20 0.12 2.33 2.13 0.67 -1.78 120.64 118.63 1pwu n GLU 353 Ca -0.01 1.17 -0.24 0.00 0.66 0.00 0.00 57.16 58.75 1pwu n GLU 353 Cb 0.20 -1.74 -0.15 0.00 0.27 0.00 0.00 31.44 30.02 1pwu n GLU 353 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1pwu h LYS 354 N 0.00 0.53 0.00 5.31 1.79 -1.69 -2.34 116.57 120.17 1pwu h LYS 354 Ca 0.24 -0.85 0.00 0.00 -2.18 0.00 0.00 60.65 57.86 1pwu h LYS 354 Cb 0.44 0.31 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1pwu h LYS 354 CO -0.75 1.40 0.22 1.05 -1.08 0.00 0.00 179.45 180.29 1pwu h GLU 355 N 0.09 0.00 0.04 3.15 4.11 -1.21 2.20 114.58 122.97 1pwu h GLU 355 Ca -0.23 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 58.83 1pwu h GLU 355 Cb 2.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.25 1pwu h GLU 355 CO 0.25 0.00 -2.16 1.28 0.07 0.00 0.00 179.01 178.45 1pwu n LEU 356 N -2.77 2.55 0.11 3.06 4.77 -0.79 -2.65 117.00 121.29 1pwu n LEU 356 Ca -0.02 0.13 -0.01 0.00 -0.03 0.00 0.00 56.01 56.08 1pwu n LEU 356 Cb 0.27 -0.98 0.23 0.00 -2.33 0.00 0.00 43.42 40.61 1pwu n LEU 356 CO 0.14 0.76 0.62 0.25 -1.33 0.00 0.00 177.39 177.83 1pwu h LEU 357 N -0.27 0.18 0.00 2.23 5.85 -0.48 -2.88 115.31 119.94 1pwu h LEU 357 Ca -0.52 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1pwu h LEU 357 Cb 1.82 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.80 1pwu h LEU 357 CO -0.10 0.61 -0.89 0.59 -0.34 0.00 0.00 178.44 178.31 1pwu n ASN 358 N -3.99 0.64 -0.47 1.25 3.02 0.73 -4.07 115.26 112.37 1pwu n ASN 358 Ca -0.02 -0.08 0.05 0.00 -0.03 0.00 0.00 54.58 54.51 1pwu n ASN 358 Cb 0.50 0.57 0.07 0.00 -0.61 0.00 0.00 39.78 40.31 1pwu n ASN 358 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1pwu n ARG 359 N -2.03 1.18 -0.00 3.52 0.63 -1.08 -4.70 116.66 114.17 1pwu n ARG 359 Ca 0.02 -1.39 -0.00 0.00 -0.92 0.00 0.00 57.85 55.56 1pwu n ARG 359 Cb 0.44 -1.21 -0.01 0.00 0.45 0.00 0.00 32.46 32.13 1pwu n ARG 359 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1pwu n ILE 360 N 0.54 0.04 0.39 5.15 5.41 -1.09 -4.65 119.36 125.15 1pwu n ILE 360 Ca 0.07 -0.03 -0.19 0.00 1.00 0.00 0.00 62.75 63.61 1pwu n ILE 360 Cb 0.31 -0.67 -0.09 0.00 -0.71 0.00 0.00 39.64 38.47 1pwu n ILE 360 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 176.55 176.61 1pwu h GLN 361 N 0.00 -1.00 0.00 0.38 3.07 -1.81 -3.35 115.11 112.39 1pwu h GLN 361 Ca -0.01 0.07 -0.32 0.00 0.09 0.00 0.00 58.65 58.47 1pwu h GLN 361 Cb 0.83 0.23 -0.05 0.00 0.08 0.00 0.00 27.48 28.57 1pwu h GLN 361 CO 0.00 -0.67 -2.05 0.28 0.09 0.00 0.00 178.83 176.48 1pwu n VAL 362 N -5.55 1.47 0.30 1.86 0.31 -1.26 -3.82 118.33 111.64 1pwu n VAL 362 Ca -0.14 -0.22 0.18 0.00 -0.01 0.00 0.00 64.34 64.15 1pwu n VAL 362 Cb 0.44 -2.00 0.80 0.00 -0.91 0.00 0.00 33.84 32.17 1pwu n VAL 362 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1pwu h ASP 363 N -0.96 0.00 0.12 4.52 1.82 -1.89 -2.39 116.42 117.64 1pwu h ASP 363 Ca -0.48 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 55.95 1pwu h ASP 363 Cb 1.41 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.43 1pwu h ASP 363 CO -0.29 0.00 -1.01 0.28 -1.61 0.00 0.00 179.24 176.61 1pwu h SER 364 N 0.00 0.39 -4.43 2.28 0.02 -1.82 -3.51 113.55 106.48 1pwu h SER 364 Ca 0.00 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 60.05 1pwu h SER 364 Cb 0.38 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1pwu h SER 364 CO 0.00 1.46 0.00 -1.20 -1.14 0.00 0.00 176.83 175.95 1pwu n SER 365 N -4.09 0.00 -0.03 3.07 7.64 -0.90 -4.76 113.62 114.54 1pwu n SER 365 Ca -0.19 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.58 1pwu n SER 365 Cb 0.82 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 64.05 1pwu n SER 365 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1pwu h ASN 366 N 0.00 0.76 0.00 6.43 -0.73 -1.86 -3.47 115.58 116.70 1pwu h ASN 366 Ca 0.00 -0.39 0.00 0.00 1.87 0.00 0.00 56.30 57.78 1pwu h ASN 366 Cb 0.00 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.37 1pwu h ASN 366 CO 0.00 1.14 0.00 -2.65 -0.37 0.00 0.00 177.43 175.55 1pwu n PRO 367 N -3.99 3.79 0.00 6.67 -0.02 -1.26 -4.90 135.00 135.29 1pwu n PRO 367 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1pwu n PRO 367 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 1pwu n PRO 367 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1pwu n LEU 368 N 0.00 0.00 0.00 2.45 4.77 -1.26 -4.95 117.00 118.01 1pwu n LEU 368 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1pwu n LEU 368 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1pwu n LEU 368 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.82 1pwu n SER 369 N 0.00 0.00 0.00 -1.43 2.88 -1.26 -5.13 113.62 108.68 1pwu n SER 369 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pwu n SER 369 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1pwu n SER 369 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1pwu n GLU 370 N 0.00 0.00 -0.22 -1.46 -0.58 -1.26 -2.79 120.64 114.33 1pwu n GLU 370 Ca 0.00 0.05 0.20 0.00 -0.42 0.00 0.00 57.16 56.99 1pwu n GLU 370 Cb 0.00 -0.67 0.34 0.00 -0.57 0.00 0.00 31.44 30.54 1pwu n GLU 370 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1pwu n LYS 371 N -0.22 -0.02 0.05 3.49 4.01 -1.26 0.24 118.16 124.44 1pwu n LYS 371 Ca 0.00 0.70 -0.05 0.00 -0.51 0.00 0.00 58.31 58.45 1pwu n LYS 371 Cb 0.00 -1.32 -0.09 0.00 -0.51 0.00 0.00 35.03 33.11 1pwu n LYS 371 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 1pwu h GLU 372 N 0.00 0.00 0.00 1.97 4.11 -2.01 -3.29 114.58 115.36 1pwu h GLU 372 Ca 0.46 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.86 1pwu h GLU 372 Cb 1.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 1pwu h GLU 372 CO -0.32 0.68 -0.16 0.87 0.07 0.00 0.00 179.01 180.16 1pwu h LYS 373 N 0.00 0.00 -0.88 1.06 1.79 -0.03 0.09 116.57 118.60 1pwu h LYS 373 Ca -0.10 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1pwu h LYS 373 Cb 1.73 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.34 1pwu h LYS 373 CO 0.09 0.16 0.57 1.49 -1.08 0.00 0.00 179.45 180.68 1pwu h GLU 374 N 0.00 1.10 -0.59 3.15 4.81 -1.62 -1.35 114.58 120.09 1pwu h GLU 374 Ca -0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1pwu h GLU 374 Cb 0.28 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1pwu h GLU 374 CO 0.02 0.73 0.32 0.35 -0.73 0.00 0.00 179.01 179.70 1pwu h PHE 375 N 1.14 0.79 0.00 0.92 3.57 -1.11 -2.36 116.94 119.89 1pwu h PHE 375 Ca 0.34 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.73 1pwu h PHE 375 Cb -0.06 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 1pwu h PHE 375 CO -0.01 0.55 -0.49 -0.07 -2.23 0.00 0.00 178.31 176.06 1pwu h LEU 376 N 0.81 0.00 -0.38 0.59 3.38 -0.95 -2.69 115.31 116.07 1pwu h LEU 376 Ca 0.21 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 1pwu h LEU 376 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1pwu h LEU 376 CO -0.03 0.49 -0.60 0.11 0.09 0.00 0.00 178.44 178.49 1pwu h LYS 377 N 0.00 0.00 0.03 1.13 1.57 -0.84 -1.71 116.57 116.75 1pwu h LYS 377 Ca -0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 1pwu h LYS 377 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1pwu h LYS 377 CO 0.06 0.60 -0.99 0.87 -0.57 0.00 0.00 179.45 179.43 1pwu h LYS 378 N 0.00 0.14 -0.01 3.15 1.57 -1.38 -3.23 116.57 116.81 1pwu h LYS 378 Ca -0.01 -0.19 -0.16 0.00 -1.87 0.00 0.00 60.65 58.42 1pwu h LYS 378 Cb 1.30 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.65 1pwu h LYS 378 CO 0.08 1.01 -0.73 -0.07 -0.57 0.00 0.00 179.45 179.18 1pwu h LEU 379 N 0.06 0.09 -0.28 2.94 3.38 -1.36 -3.11 115.31 117.01 1pwu h LEU 379 Ca -0.05 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1pwu h LEU 379 Cb 1.68 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 42.35 1pwu h LEU 379 CO 0.15 0.78 -0.04 0.50 0.09 0.00 0.00 178.44 179.92 1pwu h LYS 380 N 0.05 0.04 -0.23 1.13 3.64 -1.33 -0.92 116.57 118.94 1pwu h LYS 380 Ca -0.01 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1pwu h LYS 380 Cb 1.28 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 1pwu h LYS 380 CO 0.10 0.03 0.04 -0.07 -2.27 0.00 0.00 179.45 177.28 1pwu h LEU 381 N 0.04 0.00 -2.03 5.20 3.38 -1.64 -2.76 115.31 117.50 1pwu h LEU 381 Ca 0.14 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1pwu h LEU 381 Cb 0.20 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1pwu h LEU 381 CO -0.26 0.03 -0.01 0.44 0.09 0.00 0.00 178.44 178.73 1pwu h ASP 382 N 0.13 0.00 -0.64 -0.43 3.32 -1.34 -3.05 116.42 114.40 1pwu h ASP 382 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1pwu h ASP 382 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1pwu h ASP 382 CO -0.14 0.01 0.00 2.30 -1.72 0.00 0.00 179.24 179.69 1pwu n ILE 383 N -3.14 1.66 -2.90 0.35 -5.35 -0.41 -4.95 119.36 104.63 1pwu n ILE 383 Ca -0.01 -1.11 -0.38 0.00 -0.27 0.00 0.00 62.75 60.98 1pwu n ILE 383 Cb 0.22 0.15 -0.06 0.00 -1.74 0.00 0.00 39.64 38.21 1pwu n ILE 383 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1pwu s GLN 384 N -1.74 4.58 0.68 6.28 -1.52 -1.16 -4.74 119.66 122.04 1pwu s GLN 384 Ca 0.49 1.23 -0.14 0.00 -1.95 0.00 0.00 55.36 54.99 1pwu s GLN 384 Cb 0.31 -3.08 0.01 0.00 -0.22 0.00 0.00 33.01 30.03 1pwu s GLN 384 CO 0.25 0.45 1.11 -2.14 -0.25 0.00 0.00 175.29 174.71 1pwu s PRO 385 N -1.54 2.72 -0.49 2.91 0.02 -1.26 -4.72 135.00 132.63 1pwu s PRO 385 Ca 0.42 1.36 -0.25 0.00 0.02 0.00 0.00 61.00 62.55 1pwu s PRO 385 Cb -0.21 -1.94 0.03 0.00 0.02 0.00 0.00 34.50 32.39 1pwu s PRO 385 CO 0.26 -1.31 0.94 -0.47 -0.33 0.00 0.00 177.00 176.09 1pwu s TYR 386 N -2.41 2.87 -0.34 6.54 5.04 0.43 -4.91 117.35 124.57 1pwu s TYR 386 Ca 0.66 0.28 -0.01 0.00 -2.44 0.00 0.00 57.07 55.56 1pwu s TYR 386 Cb -0.20 -4.03 0.12 0.00 0.35 0.00 0.00 41.96 38.20 1pwu s TYR 386 CO 0.44 -1.19 0.17 0.34 -1.34 0.00 0.00 175.55 173.96 1pwu s ASP 387 N 2.45 3.44 0.17 4.32 -1.08 -1.26 -1.21 116.67 123.51 1pwu s ASP 387 Ca 0.36 -1.93 -0.18 0.00 -0.52 0.00 0.00 52.55 50.27 1pwu s ASP 387 Cb -0.11 -0.59 0.10 0.00 -1.46 0.00 0.00 42.92 40.86 1pwu s ASP 387 CO 0.24 -0.36 1.65 0.40 0.52 0.00 0.00 175.17 177.63 1pwu h ILE 388 N 5.70 0.49 -0.81 4.11 2.04 -1.92 -1.57 117.51 125.56 1pwu h ILE 388 Ca -0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1pwu h ILE 388 Cb 0.98 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1pwu h ILE 388 CO 0.39 0.00 0.53 0.78 0.00 0.00 0.00 178.15 179.85 1pwu h ASN 389 N -0.07 0.88 -0.65 1.72 2.35 -1.93 -1.69 115.58 116.19 1pwu h ASN 389 Ca 0.20 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.86 1pwu h ASN 389 Cb 0.37 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 1pwu h ASN 389 CO -0.45 0.61 0.11 -0.61 -1.65 0.00 0.00 177.43 175.44 1pwu h GLN 390 N 1.03 1.08 -0.28 0.81 5.75 -1.76 -1.39 115.11 120.34 1pwu h GLN 390 Ca 0.31 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1pwu h GLN 390 Cb -0.01 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 1pwu h GLN 390 CO -0.09 0.99 0.18 -0.09 -2.65 0.00 0.00 178.83 177.18 1pwu h ARG 391 N 1.00 0.37 -0.72 1.69 9.65 -0.44 0.44 114.38 126.38 1pwu h ARG 391 Ca 0.20 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.03 1pwu h ARG 391 Cb 0.43 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 1pwu h ARG 391 CO 0.01 0.26 0.36 -0.07 2.80 0.00 0.00 179.97 183.33 1pwu h LEU 392 N 0.38 0.93 -0.05 3.80 3.38 -1.17 -1.53 115.31 121.04 1pwu h LEU 392 Ca 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1pwu h LEU 392 Cb -0.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1pwu h LEU 392 CO -0.02 0.79 0.01 -0.61 0.09 0.00 0.00 178.44 178.70 1pwu h GLN 393 N 1.00 0.09 -0.91 1.13 4.15 -0.73 0.22 115.11 120.05 1pwu h GLN 393 Ca 0.25 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.72 1pwu h GLN 393 Cb 0.10 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.71 1pwu h GLN 393 CO -0.03 0.32 0.57 -0.44 -1.93 0.00 0.00 178.83 177.31 1pwu h ASP 394 N -0.15 0.89 0.01 -0.69 3.32 0.05 -2.66 116.42 117.19 1pwu h ASP 394 Ca 0.02 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1pwu h ASP 394 Cb 0.27 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1pwu h ASP 394 CO 0.00 0.55 -0.07 0.35 -1.72 0.00 0.00 179.24 178.35 1pwu n THR 395 N -4.60 0.00 -1.90 0.35 -2.24 -0.59 -1.68 114.28 103.61 1pwu n THR 395 Ca 0.14 -0.32 -0.19 0.00 -2.27 0.00 0.00 64.05 61.41 1pwu n THR 395 Cb 0.21 0.87 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 1pwu n THR 395 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pwu n GLY 396 N 1.27 0.90 1.29 3.38 0.00 0.59 -0.64 105.19 111.98 1pwu n GLY 396 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1pwu n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwu n GLY 397 N -0.78 0.79 2.65 -0.02 0.00 -0.14 -4.91 105.19 102.79 1pwu n GLY 397 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1pwu n GLY 397 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pwu n LEU 398 N 0.00 7.33 0.00 0.99 4.77 0.19 -4.79 117.00 125.48 1pwu n LEU 398 Ca 0.00 -4.41 0.00 0.00 -0.03 0.00 0.00 56.01 51.57 1pwu n LEU 398 Cb 0.00 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.53 1pwu n LEU 398 CO 0.00 1.49 0.48 2.30 -1.33 0.00 0.00 177.39 180.33 1pwu n ILE 399 N 3.92 1.56 1.25 -0.08 -5.35 -1.26 -1.31 119.36 118.09 1pwu n ILE 399 Ca 0.55 0.47 0.13 0.00 -0.27 0.00 0.00 62.75 63.63 1pwu n ILE 399 Cb 0.33 -1.47 0.32 0.00 -1.74 0.00 0.00 39.64 37.08 1pwu n ILE 399 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1pwu n ASP 400 N -1.38 1.76 -4.65 7.28 10.43 -1.26 -4.89 116.55 123.83 1pwu n ASP 400 Ca 0.00 -1.44 -0.51 0.00 2.57 0.00 0.00 54.79 55.41 1pwu n ASP 400 Cb 0.08 0.11 -0.05 0.00 1.84 0.00 0.00 41.12 43.09 1pwu n ASP 400 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1pwu n SER 401 N 0.17 2.54 -1.88 -2.24 7.64 -0.42 -4.82 113.62 114.60 1pwu n SER 401 Ca 0.15 1.07 -0.10 0.00 1.01 0.00 0.00 58.87 61.00 1pwu n SER 401 Cb 0.42 -1.28 -0.09 0.00 -1.01 0.00 0.00 64.21 62.25 1pwu n SER 401 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1pwu n PRO 402 N 4.10 1.70 -0.04 1.43 -0.04 -1.26 -4.39 135.00 136.50 1pwu n PRO 402 Ca 0.20 -0.86 0.13 0.00 -0.04 0.00 0.00 63.50 62.93 1pwu n PRO 402 Cb 0.23 -1.66 0.36 0.00 -0.04 0.00 0.00 33.50 32.39 1pwu n PRO 402 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1pwu n SER 403 N 1.83 2.09 -3.89 3.54 3.41 -1.26 -4.91 113.62 114.43 1pwu n SER 403 Ca 0.29 -1.72 -0.09 0.00 -0.26 0.00 0.00 58.87 57.09 1pwu n SER 403 Cb 0.72 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.54 1pwu n SER 403 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1pwu s ILE 404 N -1.90 0.14 0.31 -1.33 -0.00 -1.26 -4.97 121.20 112.19 1pwu s ILE 404 Ca 0.34 -1.26 -0.28 0.00 -0.00 0.00 0.00 60.65 59.45 1pwu s ILE 404 Cb 0.20 -1.42 -0.14 0.00 -0.00 0.00 0.00 42.46 41.11 1pwu s ILE 404 CO 0.31 -0.64 1.06 0.59 -0.00 0.00 0.00 174.94 176.26 1pwu n ASN 405 N -0.06 1.56 -0.34 4.36 3.02 -1.26 -4.71 115.26 117.83 1pwu n ASN 405 Ca -0.14 1.18 0.21 0.00 -0.03 0.00 0.00 54.58 55.80 1pwu n ASN 405 Cb 0.62 -1.33 0.44 0.00 -0.61 0.00 0.00 39.78 38.91 1pwu n ASN 405 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1pwu h LEU 406 N 2.07 0.58 -0.16 3.41 5.85 -1.99 -1.92 115.31 123.15 1pwu h LEU 406 Ca -0.41 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.46 1pwu h LEU 406 Cb 1.33 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 1pwu h LEU 406 CO 0.61 0.04 0.08 -2.24 -0.34 0.00 0.00 178.44 176.58 1pwu h ASP 407 N 0.47 0.12 1.07 1.25 2.03 -2.01 -2.40 116.42 116.95 1pwu h ASP 407 Ca 0.66 0.01 -0.14 0.00 -0.73 0.00 0.00 57.03 56.83 1pwu h ASP 407 Cb 1.44 -0.02 -0.02 0.00 -0.83 0.00 0.00 39.33 39.90 1pwu h ASP 407 CO -0.46 0.09 -0.65 0.58 -1.03 0.00 0.00 179.24 177.78 1pwu h VAL 408 N 0.17 1.22 -0.60 4.15 2.07 -1.79 -2.91 116.25 118.56 1pwu h VAL 408 Ca 0.06 -2.43 -0.02 0.00 0.82 0.00 0.00 66.70 65.14 1pwu h VAL 408 Cb 0.01 2.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1pwu h VAL 408 CO -0.04 0.63 0.29 -0.09 0.02 0.00 0.00 177.57 178.38 1pwu h ARG 409 N 0.00 0.86 -0.30 1.57 2.43 -1.23 -1.21 114.38 116.49 1pwu h ARG 409 Ca -0.01 -0.12 -0.15 0.00 -0.81 0.00 0.00 59.98 58.89 1pwu h ARG 409 Cb 1.36 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1pwu h ARG 409 CO 0.08 0.69 -0.42 -0.22 -1.51 0.00 0.00 179.97 178.59 1pwu h LYS 410 N 0.82 0.73 -0.78 0.20 3.64 -1.40 -2.03 116.57 117.75 1pwu h LYS 410 Ca 0.21 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 1pwu h LYS 410 Cb 0.11 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 1pwu h LYS 410 CO -0.03 1.01 0.39 0.37 -2.27 0.00 0.00 179.45 178.93 1pwu h GLN 411 N 0.60 1.11 -0.65 1.90 -0.00 -1.29 -0.77 115.11 116.00 1pwu h GLN 411 Ca 0.04 -0.15 -0.07 0.00 -0.00 0.00 0.00 58.65 58.47 1pwu h GLN 411 Cb 0.97 -0.21 -0.03 0.00 0.00 0.00 0.00 27.48 28.22 1pwu h GLN 411 CO 0.09 0.84 0.12 1.88 0.00 0.00 0.00 178.83 181.77 1pwu h TYR 412 N 1.09 1.10 -0.29 3.99 0.99 -1.06 -2.36 116.97 120.43 1pwu h TYR 412 Ca 0.27 -0.14 -0.11 0.00 2.00 0.00 0.00 58.73 60.75 1pwu h TYR 412 Cb 0.09 -0.31 -0.01 0.00 1.00 0.00 0.00 36.73 37.50 1pwu h TYR 412 CO 0.01 0.92 -0.27 -0.22 -0.00 0.00 0.00 178.16 178.60 1pwu h LYS 413 N 0.99 0.57 0.17 4.88 3.64 -0.82 -1.51 116.57 124.49 1pwu h LYS 413 Ca 0.20 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1pwu h LYS 413 Cb 0.40 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1pwu h LYS 413 CO 0.01 0.79 -0.08 0.00 -2.27 0.00 0.00 179.45 177.89 1pwu h ARG 414 N 0.50 -0.22 -0.63 1.90 3.08 -0.96 -1.75 114.38 116.30 1pwu h ARG 414 Ca 0.07 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.16 1pwu h ARG 414 Cb 0.73 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 1pwu h ARG 414 CO 0.06 0.16 0.42 -0.44 -1.07 0.00 0.00 179.97 179.09 1pwu h ASP 415 N -0.66 0.67 0.02 7.04 3.32 -1.43 -1.65 116.42 123.73 1pwu h ASP 415 Ca -0.02 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1pwu h ASP 415 Cb 0.48 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1pwu h ASP 415 CO 0.04 0.47 -0.01 0.40 -1.72 0.00 0.00 179.24 178.42 1pwu h ILE 416 N 0.78 1.37 -0.92 0.35 2.04 -1.26 -1.16 117.51 118.72 1pwu h ILE 416 Ca 0.25 -1.23 0.11 0.00 1.00 0.00 0.00 64.86 64.99 1pwu h ILE 416 Cb 0.02 2.20 -0.08 0.00 -0.74 0.00 0.00 36.82 38.21 1pwu h ILE 416 CO -0.06 0.31 0.55 1.56 0.00 0.00 0.00 178.15 180.51 1pwu h GLN 417 N -0.56 0.86 -0.63 2.37 4.20 -1.16 -0.75 115.11 119.44 1pwu h GLN 417 Ca -0.00 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 1pwu h GLN 417 Cb 0.53 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1pwu h GLN 417 CO 0.00 0.57 0.02 -0.91 -0.67 0.00 0.00 178.83 177.84 1pwu h ASN 418 N 0.88 1.07 -0.30 1.46 2.35 -1.22 -2.71 115.58 117.12 1pwu h ASN 418 Ca 0.46 -0.30 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1pwu h ASN 418 Cb 0.45 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1pwu h ASN 418 CO -0.27 1.10 -0.08 0.40 -1.65 0.00 0.00 177.43 176.94 1pwu h ILE 419 N 1.00 1.24 -0.43 2.81 2.04 0.01 -1.66 117.51 122.53 1pwu h ILE 419 Ca 0.18 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 1pwu h ILE 419 Cb 0.55 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1pwu h ILE 419 CO 0.03 0.36 0.26 0.44 0.00 0.00 0.00 178.15 179.24 1pwu h ASP 420 N 0.64 0.50 0.98 1.72 3.32 -0.95 -2.03 116.42 120.60 1pwu h ASP 420 Ca 0.12 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.94 1pwu h ASP 420 Cb 0.51 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1pwu h ASP 420 CO 0.03 0.39 -1.04 0.00 -1.72 0.00 0.00 179.24 176.89 1pwu h ALA 421 N 1.70 0.43 -0.24 3.45 0.00 -1.13 -3.32 119.26 120.15 1pwu h ALA 421 Ca 0.15 -0.93 -0.14 0.00 0.00 0.00 0.00 54.91 53.99 1pwu h ALA 421 Cb -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1pwu h ALA 421 CO -0.03 1.23 -0.44 -0.07 0.00 0.00 0.00 179.25 179.94 1pwu h LEU 422 N 0.00 0.65 -7.00 0.00 3.38 -0.73 -3.31 115.31 108.29 1pwu h LEU 422 Ca -0.04 -0.31 -0.79 0.00 0.09 0.00 0.00 57.88 56.83 1pwu h LEU 422 Cb 1.76 -0.18 -0.24 0.00 0.09 0.00 0.00 40.66 42.09 1pwu h LEU 422 CO 0.12 1.00 1.08 0.18 0.09 0.00 0.00 178.44 180.91 1pwu n LEU 423 N -4.01 6.20 -0.07 1.67 4.77 -0.82 -4.67 117.00 120.07 1pwu n LEU 423 Ca -0.02 -4.97 -0.04 0.00 -0.03 0.00 0.00 56.01 50.94 1pwu n LEU 423 Cb 0.54 -1.39 -0.16 0.00 -2.33 0.00 0.00 43.42 40.08 1pwu n LEU 423 CO 0.46 1.46 -1.01 0.00 -1.33 0.00 0.00 177.39 176.97 1pwu n HIS 424 N 2.60 0.06 -2.91 -1.77 1.44 -1.25 -4.49 115.22 108.89 1pwu n HIS 424 Ca 0.30 0.02 -0.41 0.00 -2.01 0.00 0.00 57.72 55.62 1pwu n HIS 424 Cb 0.36 -0.88 -0.04 0.00 0.12 0.00 0.00 29.99 29.55 1pwu n HIS 424 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1pwu s GLN 425 N -2.77 4.35 0.60 -1.40 0.74 -1.26 -4.87 119.66 115.05 1pwu s GLN 425 Ca -0.09 1.02 -0.14 0.00 0.05 0.00 0.00 55.36 56.20 1pwu s GLN 425 Cb 0.08 -3.53 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 1pwu s GLN 425 CO 0.85 -0.21 1.03 -1.54 -0.55 0.00 0.00 175.29 174.87 1pwu s SER 426 N 1.06 6.00 0.48 6.67 1.04 -1.26 -2.20 113.70 125.49 1pwu s SER 426 Ca 0.39 1.62 0.24 0.00 0.48 0.00 0.00 55.95 58.68 1pwu s SER 426 Cb -0.17 -2.50 1.20 0.00 0.10 0.00 0.00 66.02 64.65 1pwu s SER 426 CO 0.15 -1.02 1.97 -0.29 0.98 0.00 0.00 173.24 175.03 1pwu h ILE 427 N 0.12 0.65 -1.66 -1.02 6.09 -1.29 -3.45 117.51 116.94 1pwu h ILE 427 Ca -0.45 -0.80 -0.70 0.00 -1.37 0.00 0.00 64.86 61.53 1pwu h ILE 427 Cb 1.20 1.51 0.04 0.00 0.47 0.00 0.00 36.82 40.04 1pwu h ILE 427 CO 0.59 0.18 0.69 0.61 -3.07 0.00 0.00 178.15 177.16 1pwu n GLY 428 N -0.41 0.71 3.40 8.18 0.00 -0.22 -4.96 105.19 111.88 1pwu n GLY 428 Ca -0.01 0.81 -0.10 0.00 0.00 0.00 0.00 46.02 46.72 1pwu n GLY 428 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pwu s SER 429 N 2.00 0.02 0.00 1.61 0.15 -1.26 -5.03 113.70 111.18 1pwu s SER 429 Ca 0.91 -0.98 0.26 0.00 0.70 0.00 0.00 55.95 56.84 1pwu s SER 429 Cb -0.98 0.48 0.71 0.00 -1.71 0.00 0.00 66.02 64.51 1pwu s SER 429 CO 0.55 -0.96 1.56 0.35 1.20 0.00 0.00 173.24 175.93 1pwu n THR 430 N -0.28 0.00 1.53 6.45 -2.24 -1.26 -3.90 114.28 114.57 1pwu n THR 430 Ca -0.04 -0.01 0.15 0.00 -2.27 0.00 0.00 64.05 61.88 1pwu n THR 430 Cb 0.63 0.07 0.79 0.00 -2.10 0.00 0.00 70.33 69.72 1pwu n THR 430 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pwu n LEU 431 N -1.45 0.00 -3.61 3.22 4.77 -1.26 -4.93 117.00 113.75 1pwu n LEU 431 Ca 0.06 0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 56.26 1pwu n LEU 431 Cb 0.33 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1pwu n LEU 431 CO 0.32 -0.00 1.07 -0.72 -1.33 0.00 0.00 177.39 176.74 1pwu s TYR 432 N -2.46 -0.07 0.00 -1.77 -0.85 -1.25 -5.04 117.35 105.91 1pwu s TYR 432 Ca 0.32 0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.88 1pwu s TYR 432 Cb 0.20 0.52 0.00 0.00 0.38 0.00 0.00 41.96 43.07 1pwu s TYR 432 CO 0.44 -0.18 0.00 0.09 -1.52 0.00 0.00 175.55 174.38 1pwu n ASN 433 N -0.25 0.00 -4.50 -0.18 3.02 -1.26 -4.47 115.26 107.62 1pwu n ASN 433 Ca -0.03 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.06 1pwu n ASN 433 Cb 0.60 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.75 1pwu n ASN 433 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pwu n LYS 434 N 0.00 0.68 -3.73 3.52 5.02 -1.26 -4.97 118.16 117.42 1pwu n LYS 434 Ca 0.00 0.24 -0.17 0.00 -2.02 0.00 0.00 58.31 56.36 1pwu n LYS 434 Cb 0.00 -1.44 -0.17 0.00 -0.02 0.00 0.00 35.03 33.41 1pwu n LYS 434 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1pwu s ILE 435 N -0.99 -0.08 -0.12 -0.18 -5.25 -1.26 -5.10 121.20 108.21 1pwu s ILE 435 Ca 0.62 0.30 -0.04 0.00 -0.99 0.00 0.00 60.65 60.54 1pwu s ILE 435 Cb -0.82 -0.11 -0.04 0.00 2.95 0.00 0.00 42.46 44.44 1pwu s ILE 435 CO 0.58 0.12 0.03 -0.31 -1.79 0.00 0.00 174.94 173.57 1pwu s TYR 436 N 1.50 3.23 0.17 1.37 1.51 -1.26 -2.29 117.35 121.57 1pwu s TYR 436 Ca -0.04 0.16 0.10 0.00 -1.01 0.00 0.00 57.07 56.28 1pwu s TYR 436 Cb -0.13 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 1pwu s TYR 436 CO -0.03 0.37 -0.22 -0.51 -1.11 0.00 0.00 175.55 174.05 1pwu s LEU 437 N -0.45 2.41 0.07 -1.29 1.43 0.14 -4.82 118.68 116.17 1pwu s LEU 437 Ca 0.09 -0.83 0.09 0.00 -1.03 0.00 0.00 54.13 52.45 1pwu s LEU 437 Cb -0.12 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.04 1pwu s LEU 437 CO 0.02 0.07 -0.25 -0.31 0.23 0.00 0.00 176.35 176.11 1pwu s TYR 438 N -1.68 2.18 -0.04 0.29 1.51 0.10 -1.23 117.35 118.49 1pwu s TYR 438 Ca 0.17 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.82 1pwu s TYR 438 Cb -0.08 -1.26 0.03 0.00 -0.11 0.00 0.00 41.96 40.54 1pwu s TYR 438 CO 0.08 0.18 0.05 -2.00 -1.11 0.00 0.00 175.55 172.75 1pwu s GLU 439 N -1.50 -0.03 -0.11 -0.62 2.12 -1.03 0.95 118.70 118.48 1pwu s GLU 439 Ca 0.11 0.32 -0.17 0.00 0.36 0.00 0.00 54.97 55.59 1pwu s GLU 439 Cb -0.10 -0.47 -0.05 0.00 0.26 0.00 0.00 34.13 33.78 1pwu s GLU 439 CO 0.03 -0.29 0.44 -0.80 -0.54 0.00 0.00 175.26 174.10 1pwu s ASN 440 N 1.89 6.67 0.03 -1.70 0.01 -1.26 -0.30 114.94 120.28 1pwu s ASN 440 Ca 0.02 0.79 0.02 0.00 -0.71 0.00 0.00 52.86 52.98 1pwu s ASN 440 Cb -0.12 -2.27 -0.02 0.00 0.41 0.00 0.00 41.25 39.25 1pwu s ASN 440 CO -0.03 0.06 -0.08 -0.32 -1.51 0.00 0.00 177.10 175.23 1pwu s MET 441 N 0.34 0.54 0.08 -0.60 1.75 -0.02 -5.00 119.30 116.39 1pwu s MET 441 Ca 0.24 -0.63 -0.25 0.00 -1.25 0.00 0.00 55.69 53.80 1pwu s MET 441 Cb -0.15 -0.38 -0.06 0.00 2.84 0.00 0.00 34.83 37.08 1pwu s MET 441 CO 0.10 0.08 0.77 1.21 -0.65 0.00 0.00 175.02 176.53 1pwu s ASN 442 N -1.22 7.27 0.46 1.11 3.84 -1.26 -2.04 114.94 123.11 1pwu s ASN 442 Ca -0.06 1.52 0.25 0.00 0.21 0.00 0.00 52.86 54.78 1pwu s ASN 442 Cb -0.08 -2.48 0.98 0.00 -0.55 0.00 0.00 41.25 39.12 1pwu s ASN 442 CO 0.00 0.08 1.85 -0.29 -2.79 0.00 0.00 177.10 175.95 1pwu h ILE 443 N 3.87 0.49 0.00 -5.21 2.10 -1.94 -2.55 117.51 114.26 1pwu h ILE 443 Ca -0.45 -1.03 -0.02 0.00 1.08 0.00 0.00 64.86 64.44 1pwu h ILE 443 Cb 1.21 1.73 -0.00 0.00 -1.09 0.00 0.00 36.82 38.66 1pwu h ILE 443 CO 0.69 0.19 -0.08 0.78 -1.08 0.00 0.00 178.15 178.66 1pwu h ASN 444 N 0.00 0.00 0.60 2.19 2.35 -1.91 0.24 115.58 119.06 1pwu h ASN 444 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pwu h ASN 444 Cb 0.71 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 1pwu h ASN 444 CO 0.03 0.08 -0.01 -1.13 -1.65 0.00 0.00 177.43 174.74 1pwu h ASN 445 N 0.00 0.00 0.00 5.81 -1.24 -1.83 -3.23 115.58 115.09 1pwu h ASN 445 Ca -0.00 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.88 1pwu h ASN 445 Cb 0.14 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 1pwu h ASN 445 CO 0.01 0.01 -1.32 0.18 -1.29 0.00 0.00 177.43 175.01 1pwu n LEU 446 N -3.11 1.77 -3.43 0.34 4.32 0.62 -4.95 117.00 112.55 1pwu n LEU 446 Ca -0.01 0.30 -0.20 0.00 -0.02 0.00 0.00 56.01 56.07 1pwu n LEU 446 Cb 0.21 -0.69 -0.11 0.00 -1.62 0.00 0.00 43.42 41.22 1pwu n LEU 446 CO 0.25 -0.07 -0.22 0.28 -1.22 0.00 0.00 177.39 176.40 1pwu s THR 447 N -2.67 -0.30 0.18 -5.08 -1.32 0.15 -4.39 115.64 102.22 1pwu s THR 447 Ca -0.27 -0.64 -0.11 0.00 -1.21 0.00 0.00 61.69 59.45 1pwu s THR 447 Cb 0.06 -0.97 0.10 0.00 -1.51 0.00 0.00 72.50 70.19 1pwu s THR 447 CO 0.38 -0.56 1.77 0.00 -2.21 0.00 0.00 174.62 174.00 1pwu h ALA 448 N 8.15 0.83 -0.58 11.08 0.00 -1.13 0.14 119.26 137.74 1pwu h ALA 448 Ca -0.13 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.78 1pwu h ALA 448 Cb 1.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1pwu h ALA 448 CO 0.35 0.39 0.40 0.00 0.00 0.00 0.00 179.25 180.39 1pwu h THR 449 N 0.88 0.79 0.01 0.00 1.03 -1.74 -1.50 112.91 112.37 1pwu h THR 449 Ca 0.22 -0.06 -0.32 0.00 -0.01 0.00 0.00 66.41 66.24 1pwu h THR 449 Cb 0.12 0.59 -0.05 0.00 -1.07 0.00 0.00 68.15 67.73 1pwu h THR 449 CO -0.03 0.03 -1.91 0.18 -0.01 0.00 0.00 175.52 173.79 1pwu n LEU 450 N -4.43 0.75 0.00 0.00 4.77 -0.82 -4.08 117.00 113.19 1pwu n LEU 450 Ca 0.10 0.29 0.04 0.00 -0.03 0.00 0.00 56.01 56.41 1pwu n LEU 450 Cb 0.52 0.19 0.16 0.00 -2.33 0.00 0.00 43.42 41.96 1pwu n LEU 450 CO 0.35 0.44 0.61 0.61 -1.33 0.00 0.00 177.39 178.07 1pwu n GLY 451 N 1.63 -0.72 0.16 -0.72 0.00 0.42 -2.03 105.19 103.93 1pwu n GLY 451 Ca -0.22 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 45.80 1pwu n GLY 451 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pwu h ALA 452 N 2.27 0.93 0.00 4.61 0.00 -1.59 -3.32 119.26 122.16 1pwu h ALA 452 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1pwu h ALA 452 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1pwu h ALA 452 CO 0.00 0.61 -0.24 -0.25 0.00 0.00 0.00 179.25 179.37 1pwu n ASP 453 N -3.57 1.41 -0.03 0.00 9.92 -0.86 -4.80 116.55 118.61 1pwu n ASP 453 Ca -0.00 -2.70 -0.12 0.00 -0.53 0.00 0.00 54.79 51.44 1pwu n ASP 453 Cb 0.58 -0.35 -0.06 0.00 -0.64 0.00 0.00 41.12 40.65 1pwu n ASP 453 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1pwu h LEU 454 N 0.09 0.19 -9.72 0.64 5.85 -1.61 -3.42 115.31 107.32 1pwu h LEU 454 Ca -0.01 -0.27 -0.49 0.00 0.84 0.00 0.00 57.88 57.95 1pwu h LEU 454 Cb 1.18 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1pwu h LEU 454 CO 0.00 0.41 0.35 -0.69 -0.34 0.00 0.00 178.44 178.18 1pwu s VAL 455 N -5.14 4.13 0.02 1.05 1.01 -1.26 -1.06 120.40 119.14 1pwu s VAL 455 Ca -0.14 2.08 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 1pwu s VAL 455 Cb 0.05 -4.32 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 1pwu s VAL 455 CO 0.70 0.47 1.73 -0.62 0.00 0.00 0.00 175.10 177.38 1pwu s ASP 456 N -1.00 6.59 0.32 3.32 2.15 -0.80 -4.74 116.67 122.51 1pwu s ASP 456 Ca 0.42 2.44 0.00 0.00 0.43 0.00 0.00 52.55 55.84 1pwu s ASP 456 Cb -0.26 -2.54 0.53 0.00 -0.30 0.00 0.00 42.92 40.34 1pwu s ASP 456 CO 0.32 -0.94 1.97 -1.28 -0.17 0.00 0.00 175.17 175.07 1pwu h SER 457 N 9.29 0.83 0.00 -0.34 0.87 -1.92 -3.12 113.55 119.16 1pwu h SER 457 Ca -0.43 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1pwu h SER 457 Cb 1.20 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1pwu h SER 457 CO 0.94 0.62 0.00 0.41 -0.53 0.00 0.00 176.83 178.28 1pwu n THR 458 N -4.41 0.00 -3.55 2.23 -1.04 -1.26 -4.63 114.28 101.63 1pwu n THR 458 Ca 0.07 0.99 -0.41 0.00 -2.04 0.00 0.00 64.05 62.66 1pwu n THR 458 Cb 0.06 -1.88 -0.11 0.00 -1.82 0.00 0.00 70.33 66.58 1pwu n THR 458 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1pwu s ASP 459 N -2.18 5.88 0.00 8.00 3.68 -1.23 -4.96 116.67 125.87 1pwu s ASP 459 Ca 0.00 -0.82 0.12 0.00 2.13 0.00 0.00 52.55 53.98 1pwu s ASP 459 Cb 0.00 -2.08 0.67 0.00 -1.45 0.00 0.00 42.92 40.05 1pwu s ASP 459 CO 0.00 -0.36 1.20 -0.46 0.13 0.00 0.00 175.17 175.68 1pwu n ASN 460 N 5.07 0.00 -0.04 -0.34 0.23 -1.18 -2.47 115.26 116.52 1pwu n ASN 460 Ca -0.12 -0.18 0.11 0.00 -0.53 0.00 0.00 54.58 53.86 1pwu n ASN 460 Cb 0.47 -0.11 0.02 0.00 -2.08 0.00 0.00 39.78 38.08 1pwu n ASN 460 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1pwu n THR 461 N -1.11 0.00 -4.07 5.53 -2.24 -1.26 -4.76 114.28 106.36 1pwu n THR 461 Ca 0.08 -0.02 -0.23 0.00 -2.27 0.00 0.00 64.05 61.60 1pwu n THR 461 Cb 0.06 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 69.01 1pwu n THR 461 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1pwu s LYS 462 N -2.95 3.04 -0.15 -0.78 -0.14 -1.03 -1.00 119.74 116.74 1pwu s LYS 462 Ca 0.10 -0.93 -0.06 0.00 -1.36 0.00 0.00 55.97 53.72 1pwu s LYS 462 Cb 0.17 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.61 1pwu s LYS 462 CO 0.79 0.44 0.07 0.42 -0.76 0.00 0.00 175.35 176.30 1pwu s ILE 463 N -1.99 4.85 -0.29 2.17 -1.09 -1.26 -1.90 121.20 121.69 1pwu s ILE 463 Ca 0.33 -0.02 -0.28 0.00 -2.23 0.00 0.00 60.65 58.44 1pwu s ILE 463 Cb -0.09 -3.14 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 1pwu s ILE 463 CO 0.25 0.53 1.87 0.21 -1.23 0.00 0.00 174.94 176.57 1pwu s ASN 464 N -0.23 5.86 0.34 3.58 3.84 -0.22 -4.82 114.94 123.29 1pwu s ASN 464 Ca 0.08 1.47 0.06 0.00 0.21 0.00 0.00 52.86 54.68 1pwu s ASN 464 Cb -0.12 -2.52 0.73 0.00 -0.55 0.00 0.00 41.25 38.79 1pwu s ASN 464 CO 0.01 -1.71 1.90 0.03 -2.79 0.00 0.00 177.10 174.54 1pwu h ARG 465 N 13.06 0.77 -0.21 0.43 -0.00 -1.95 -1.36 114.38 125.11 1pwu h ARG 465 Ca -0.35 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.98 59.08 1pwu h ARG 465 Cb 1.18 -0.17 -0.01 0.00 0.00 0.00 0.00 29.97 30.97 1pwu h ARG 465 CO 1.01 0.51 0.13 0.78 0.00 0.00 0.00 179.97 182.39 1pwu h GLY 466 N 0.79 0.31 1.25 0.04 0.00 -1.97 -1.92 103.07 101.56 1pwu h GLY 466 Ca 0.41 -0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.49 1pwu h GLY 466 CO -0.17 0.12 -0.22 -2.22 0.00 0.00 0.00 176.54 174.05 1pwu h ILE 467 N 0.25 1.27 -0.23 2.60 5.03 -1.79 -2.84 117.51 121.80 1pwu h ILE 467 Ca 0.08 -1.36 0.05 0.00 -0.12 0.00 0.00 64.86 63.51 1pwu h ILE 467 Cb 0.03 1.18 -0.07 0.00 -3.03 0.00 0.00 36.82 34.92 1pwu h ILE 467 CO -0.01 0.46 -0.42 0.15 -0.68 0.00 0.00 178.15 177.64 1pwu h PHE 468 N 0.74 -1.21 -0.70 1.37 3.57 -0.83 0.85 116.94 120.72 1pwu h PHE 468 Ca 0.10 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.72 1pwu h PHE 468 Cb 0.76 0.56 -0.04 0.00 2.79 0.00 0.00 35.95 40.02 1pwu h PHE 468 CO 0.04 -0.46 0.46 -0.91 -2.23 0.00 0.00 178.31 175.22 1pwu h ASN 469 N -0.43 0.65 -0.28 0.41 2.35 -1.28 -0.39 115.58 116.61 1pwu h ASN 469 Ca 0.10 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.73 1pwu h ASN 469 Cb 0.61 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1pwu h ASN 469 CO -0.46 0.43 -0.27 -0.08 -1.65 0.00 0.00 177.43 175.39 1pwu h GLU 470 N 0.74 0.69 -0.75 0.81 4.81 -1.00 -0.62 114.58 119.25 1pwu h GLU 470 Ca 0.30 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1pwu h GLU 470 Cb 0.23 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1pwu h GLU 470 CO -0.10 0.97 0.33 0.35 -0.73 0.00 0.00 179.01 179.83 1pwu h PHE 471 N 0.42 1.10 -0.04 0.92 3.57 -0.18 -2.84 116.94 119.88 1pwu h PHE 471 Ca 0.05 -0.06 -0.19 0.00 3.53 0.00 0.00 57.97 61.30 1pwu h PHE 471 Cb 0.84 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1pwu h PHE 471 CO 0.07 0.82 -0.78 -0.22 -2.23 0.00 0.00 178.31 175.97 1pwu h LYS 472 N 1.08 0.32 0.00 1.11 3.64 -1.02 -3.41 116.57 118.28 1pwu h LYS 472 Ca 0.25 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1pwu h LYS 472 Cb 0.16 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1pwu h LYS 472 CO -0.03 0.95 0.00 1.17 -2.27 0.00 0.00 179.45 179.27 1pwu n LYS 473 N -3.78 0.00 -1.88 1.90 4.81 -0.25 -2.14 118.16 116.82 1pwu n LYS 473 Ca -0.04 0.01 -0.33 0.00 -0.87 0.00 0.00 58.31 57.08 1pwu n LYS 473 Cb 0.74 -0.03 0.04 0.00 0.02 0.00 0.00 35.03 35.79 1pwu n LYS 473 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1pwu n ASN 474 N -0.26 6.47 -4.37 3.14 4.13 -1.26 -4.90 115.26 118.21 1pwu n ASN 474 Ca 0.00 -3.78 -0.46 0.00 1.68 0.00 0.00 54.58 52.02 1pwu n ASN 474 Cb 0.00 -0.77 -0.02 0.00 -1.54 0.00 0.00 39.78 37.46 1pwu n ASN 474 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1pwu s PHE 475 N -3.80 3.66 -0.15 3.10 5.36 -0.91 -3.70 117.98 121.55 1pwu s PHE 475 Ca 0.55 -1.96 0.12 0.00 -0.96 0.00 0.00 56.93 54.68 1pwu s PHE 475 Cb 0.45 -3.97 -0.17 0.00 -0.34 0.00 0.00 43.02 38.98 1pwu s PHE 475 CO -0.16 -1.13 0.03 1.63 -1.46 0.00 0.00 175.22 174.13 1pwu n LYS 476 N 4.53 1.50 -3.86 10.12 5.02 -1.26 -4.72 118.16 129.49 1pwu n LYS 476 Ca 0.19 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.39 1pwu n LYS 476 Cb 0.46 -1.37 -0.08 0.00 -0.02 0.00 0.00 35.03 34.01 1pwu n LYS 476 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1pwu s TYR 477 N -2.35 0.08 0.08 2.13 -0.85 -1.26 -0.34 117.35 114.83 1pwu s TYR 477 Ca -0.09 -0.33 0.01 0.00 -0.52 0.00 0.00 57.07 56.14 1pwu s TYR 477 Cb 0.05 -0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.30 1pwu s TYR 477 CO 0.58 -0.43 -0.06 0.45 -1.52 0.00 0.00 175.55 174.56 1pwu s SER 478 N -2.17 0.94 0.01 -0.18 0.15 0.88 -1.82 113.70 111.52 1pwu s SER 478 Ca -0.04 -0.89 0.04 0.00 0.70 0.00 0.00 55.95 55.76 1pwu s SER 478 Cb -0.00 0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.39 1pwu s SER 478 CO -0.05 -0.43 -0.12 -0.63 1.20 0.00 0.00 173.24 173.21 1pwu s ILE 479 N -3.13 0.95 -0.24 6.45 1.01 -0.97 -0.83 121.20 124.44 1pwu s ILE 479 Ca 0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 1pwu s ILE 479 Cb 0.02 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.69 1pwu s ILE 479 CO -0.04 0.15 -0.08 -0.55 0.00 0.00 0.00 174.94 174.42 1pwu s SER 480 N -0.59 4.17 0.00 3.58 0.15 -0.92 -1.09 113.70 119.00 1pwu s SER 480 Ca 0.03 -0.80 0.18 0.00 0.70 0.00 0.00 55.95 56.06 1pwu s SER 480 Cb -0.06 -1.65 -0.09 0.00 -1.71 0.00 0.00 66.02 62.52 1pwu s SER 480 CO 0.00 -0.10 0.86 -1.20 1.20 0.00 0.00 173.24 174.00 1pwu n SER 481 N 4.67 1.37 -2.22 5.45 7.64 -1.25 0.64 113.62 129.92 1pwu n SER 481 Ca -0.17 -1.19 -0.02 0.00 1.01 0.00 0.00 58.87 58.50 1pwu n SER 481 Cb 0.48 0.71 -0.00 0.00 -1.01 0.00 0.00 64.21 64.38 1pwu n SER 481 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1pwu n ASN 482 N -0.67 1.74 -4.44 6.43 0.23 -1.26 -4.38 115.26 112.90 1pwu n ASN 482 Ca 0.06 -1.17 -0.44 0.00 -0.53 0.00 0.00 54.58 52.50 1pwu n ASN 482 Cb 0.34 0.02 -0.05 0.00 -2.08 0.00 0.00 39.78 38.01 1pwu n ASN 482 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1pwu s TYR 483 N -0.79 2.94 0.36 -2.53 1.51 -1.26 -4.19 117.35 113.39 1pwu s TYR 483 Ca 0.01 -0.55 -0.28 0.00 -1.01 0.00 0.00 57.07 55.24 1pwu s TYR 483 Cb -0.00 -3.85 -0.10 0.00 -0.11 0.00 0.00 41.96 37.90 1pwu s TYR 483 CO 0.01 -1.24 1.37 -1.64 -1.11 0.00 0.00 175.55 172.94 1pwu s MET 484 N 3.08 4.21 -0.24 -0.62 -1.94 -1.24 -4.80 119.30 117.74 1pwu s MET 484 Ca 0.18 2.34 0.00 0.00 -1.71 0.00 0.00 55.69 56.50 1pwu s MET 484 Cb -0.19 -2.99 0.04 0.00 2.01 0.00 0.00 34.83 33.70 1pwu s MET 484 CO 0.12 -0.36 -0.10 0.42 -0.01 0.00 0.00 175.02 175.09 1pwu s ILE 485 N -1.15 2.52 0.25 2.53 1.01 -1.26 -1.36 121.20 123.75 1pwu s ILE 485 Ca 0.51 -1.20 0.09 0.00 0.00 0.00 0.00 60.65 60.06 1pwu s ILE 485 Cb -0.42 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 1pwu s ILE 485 CO 0.56 0.19 -0.15 0.68 0.00 0.00 0.00 174.94 176.22 1pwu s VAL 486 N 1.25 2.01 -0.10 2.92 -7.23 -0.52 -4.80 120.40 113.93 1pwu s VAL 486 Ca -0.02 -2.26 -0.12 0.00 -1.81 0.00 0.00 61.98 57.77 1pwu s VAL 486 Cb -0.17 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 1pwu s VAL 486 CO -0.06 -0.45 0.27 -1.81 -0.31 0.00 0.00 175.10 172.74 1pwu s ASP 487 N -3.42 6.53 0.13 4.85 1.01 0.27 -0.76 116.67 125.27 1pwu s ASP 487 Ca 0.27 0.63 -0.17 0.00 0.71 0.00 0.00 52.55 53.99 1pwu s ASP 487 Cb -0.01 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 1pwu s ASP 487 CO 0.11 0.28 1.68 0.40 0.21 0.00 0.00 175.17 177.85 1pwu h ILE 488 N 4.14 1.18 -4.23 0.77 2.04 -1.73 0.30 117.51 119.97 1pwu h ILE 488 Ca -0.49 -0.55 -0.69 0.00 1.00 0.00 0.00 64.86 64.13 1pwu h ILE 488 Cb 1.20 0.88 -0.25 0.00 -0.74 0.00 0.00 36.82 37.91 1pwu h ILE 488 CO 0.65 0.20 -0.85 0.20 0.00 0.00 0.00 178.15 178.35 1pwu s ASN 489 N -5.78 3.43 0.45 1.72 0.01 -1.26 -4.64 114.94 108.88 1pwu s ASN 489 Ca -0.13 -0.48 -0.25 0.00 -0.71 0.00 0.00 52.86 51.29 1pwu s ASN 489 Cb 0.10 -0.45 -0.08 0.00 0.41 0.00 0.00 41.25 41.22 1pwu s ASN 489 CO 0.74 0.28 1.43 -0.70 -1.51 0.00 0.00 177.10 177.34 1pwu s GLU 490 N -1.13 3.66 0.13 -0.60 2.12 -1.26 -4.88 118.70 116.74 1pwu s GLU 490 Ca 0.12 2.42 0.04 0.00 0.36 0.00 0.00 54.97 57.91 1pwu s GLU 490 Cb -0.10 -2.64 -0.04 0.00 0.26 0.00 0.00 34.13 31.61 1pwu s GLU 490 CO 0.02 -0.84 -0.09 1.03 -0.54 0.00 0.00 175.26 174.84 1pwu s ARG 491 N -2.47 0.98 0.37 4.30 0.52 -1.26 -5.10 118.95 116.29 1pwu s ARG 491 Ca 0.61 -1.38 -0.27 0.00 -0.52 0.00 0.00 55.73 54.17 1pwu s ARG 491 Cb -0.44 -0.51 -0.10 0.00 0.52 0.00 0.00 34.95 34.43 1pwu s ARG 491 CO 0.56 0.05 1.33 -1.25 0.02 0.00 0.00 175.30 176.01 1pwu s PRO 492 N -3.63 4.14 0.56 3.54 0.04 -1.26 -4.96 135.00 133.42 1pwu s PRO 492 Ca 0.14 2.23 -0.05 0.00 0.04 0.00 0.00 61.00 63.36 1pwu s PRO 492 Cb 0.02 -2.91 -0.00 0.00 0.04 0.00 0.00 34.50 31.65 1pwu s PRO 492 CO -0.01 -0.37 0.86 0.00 0.04 0.00 0.00 177.00 177.52 1pwu s ALA 493 N -1.19 3.35 0.92 8.56 0.00 -1.26 -5.09 121.76 127.05 1pwu s ALA 493 Ca 0.53 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.70 1pwu s ALA 493 Cb -0.40 -2.58 0.14 0.00 0.00 0.00 0.00 23.12 20.29 1pwu s ALA 493 CO 0.52 -0.67 1.11 -0.51 0.00 0.00 0.00 175.76 176.21 1pwu s LEU 494 N -4.91 1.99 0.37 0.00 1.02 -1.26 -4.93 118.68 110.96 1pwu s LEU 494 Ca 0.52 1.19 0.04 0.00 0.02 0.00 0.00 54.13 55.90 1pwu s LEU 494 Cb -0.10 -3.52 0.71 0.00 0.02 0.00 0.00 46.19 43.30 1pwu s LEU 494 CO 0.45 -2.69 2.00 0.44 0.02 0.00 0.00 176.35 176.57 1pwu h ASP 495 N -1.59 0.66 -0.50 2.29 3.32 -2.04 -2.59 116.42 115.98 1pwu h ASP 495 Ca -0.51 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1pwu h ASP 495 Cb 1.31 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1pwu h ASP 495 CO 0.59 0.46 0.00 -0.46 -1.72 0.00 0.00 179.24 178.11 1pwu n ASN 496 N -4.46 3.19 -4.18 6.45 2.04 -1.26 -4.70 115.26 112.34 1pwu n ASN 496 Ca 0.07 -2.16 -0.40 0.00 -0.44 0.00 0.00 54.58 51.65 1pwu n ASN 496 Cb 0.11 -0.42 -0.07 0.00 -2.53 0.00 0.00 39.78 36.87 1pwu n ASN 496 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1pwu s GLU 497 N -1.53 2.98 -0.02 -3.83 2.02 -0.98 -4.33 118.70 113.01 1pwu s GLU 497 Ca 0.36 -2.53 0.20 0.00 0.02 0.00 0.00 54.97 53.02 1pwu s GLU 497 Cb 0.21 -4.00 0.62 0.00 0.10 0.00 0.00 34.13 31.06 1pwu s GLU 497 CO 0.21 -1.22 1.52 0.54 0.02 0.00 0.00 175.26 176.33 1pwu n ARG 498 N 3.63 2.79 -4.36 1.61 5.12 -1.21 -4.59 116.66 119.65 1pwu n ARG 498 Ca 0.11 -2.51 -0.34 0.00 -1.93 0.00 0.00 57.85 53.18 1pwu n ARG 498 Cb 0.41 -1.60 -0.12 0.00 -1.16 0.00 0.00 32.46 29.99 1pwu n ARG 498 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1pwu s LEU 499 N -1.16 3.27 -0.31 0.55 1.02 -0.86 -1.26 118.68 119.92 1pwu s LEU 499 Ca 0.46 -0.13 0.01 0.00 0.02 0.00 0.00 54.13 54.49 1pwu s LEU 499 Cb 0.25 -1.79 0.10 0.00 0.02 0.00 0.00 46.19 44.77 1pwu s LEU 499 CO 0.29 0.16 0.08 -0.54 0.02 0.00 0.00 176.35 176.36 1pwu s LYS 500 N 0.41 0.96 0.14 1.70 1.02 -0.38 -0.84 119.74 122.75 1pwu s LYS 500 Ca -0.03 -1.27 -0.30 0.00 0.02 0.00 0.00 55.97 54.39 1pwu s LYS 500 Cb -0.14 -2.35 -0.07 0.00 -0.52 0.00 0.00 37.83 34.75 1pwu s LYS 500 CO 0.03 -0.95 0.94 -1.58 -0.92 0.00 0.00 175.35 172.87 1pwu s TRP 501 N 1.42 3.86 -0.29 3.18 0.52 0.59 -1.76 118.94 126.46 1pwu s TRP 501 Ca 0.09 1.81 0.03 0.00 0.02 0.00 0.00 56.10 58.05 1pwu s TRP 501 Cb -0.18 -3.02 0.08 0.00 -1.15 0.00 0.00 33.47 29.20 1pwu s TRP 501 CO -0.19 0.28 -0.04 0.50 0.02 0.00 0.00 176.95 177.51 1pwu s ARG 502 N -0.33 1.90 -0.17 4.98 3.52 0.75 -2.47 118.95 127.13 1pwu s ARG 502 Ca 0.45 -1.52 -0.05 0.00 -0.13 0.00 0.00 55.73 54.48 1pwu s ARG 502 Cb -0.24 -2.97 -0.03 0.00 -1.56 0.00 0.00 34.95 30.15 1pwu s ARG 502 CO 0.30 -0.71 -0.01 0.42 -0.81 0.00 0.00 175.30 174.49 1pwu s ILE 503 N 1.05 4.12 -0.46 4.11 -1.09 -0.36 -0.66 121.20 127.91 1pwu s ILE 503 Ca -0.01 -0.27 -0.19 0.00 -2.23 0.00 0.00 60.65 57.94 1pwu s ILE 503 Cb -0.20 -2.83 0.04 0.00 -1.58 0.00 0.00 42.46 37.89 1pwu s ILE 503 CO -0.06 0.48 0.60 -1.58 -1.23 0.00 0.00 174.94 173.14 1pwu s GLN 504 N 0.44 3.18 0.68 2.79 0.74 0.58 -0.69 119.66 127.38 1pwu s GLN 504 Ca -0.02 -0.65 -0.12 0.00 0.05 0.00 0.00 55.36 54.62 1pwu s GLN 504 Cb -0.14 -4.01 0.01 0.00 1.10 0.00 0.00 33.01 29.97 1pwu s GLN 504 CO 0.02 -1.06 1.07 -0.51 -0.55 0.00 0.00 175.29 174.26 1pwu s LEU 505 N 2.61 3.22 0.17 3.68 1.43 -0.97 -1.32 118.68 127.51 1pwu s LEU 505 Ca 0.17 1.74 -0.08 0.00 -1.03 0.00 0.00 54.13 54.94 1pwu s LEU 505 Cb -0.17 -4.51 -0.06 0.00 0.03 0.00 0.00 46.19 41.48 1pwu s LEU 505 CO 0.15 -1.52 0.46 -0.55 0.23 0.00 0.00 176.35 175.12 1pwu s SER 506 N -3.36 6.58 0.60 2.29 0.15 -1.26 -4.65 113.70 114.05 1pwu s SER 506 Ca 0.61 0.77 0.36 0.00 0.70 0.00 0.00 55.95 58.39 1pwu s SER 506 Cb -0.16 -2.17 1.88 0.00 -1.71 0.00 0.00 66.02 63.87 1pwu s SER 506 CO 0.50 0.02 2.20 -0.65 1.20 0.00 0.00 173.24 176.50 1pwu h PRO 507 N 2.86 0.00 0.00 5.44 0.11 -1.96 -1.76 132.00 136.69 1pwu h PRO 507 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1pwu h PRO 507 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1pwu h PRO 507 CO 0.70 0.03 -0.25 -0.44 -0.21 0.00 0.00 178.00 177.83 1pwu h ASP 508 N 0.00 0.00 -2.57 -2.05 3.45 -1.96 -0.55 116.42 112.75 1pwu h ASP 508 Ca -0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 1pwu h ASP 508 Cb 0.20 0.00 0.04 0.00 -0.56 0.00 0.00 39.33 39.01 1pwu h ASP 508 CO 0.00 0.25 1.09 -0.89 -1.57 0.00 0.00 179.24 178.13 1pwu s THR 509 N -3.50 2.48 0.23 0.35 2.01 -0.66 -4.73 115.64 111.82 1pwu s THR 509 Ca 0.02 0.07 -0.19 0.00 0.31 0.00 0.00 61.69 61.89 1pwu s THR 509 Cb 0.09 -3.05 -0.08 0.00 0.01 0.00 0.00 72.50 69.47 1pwu s THR 509 CO 0.66 0.00 0.73 -0.13 -0.69 0.00 0.00 174.62 175.19 1pwu s ARG 510 N 2.48 4.24 0.27 4.92 0.52 -1.26 -1.50 118.95 128.62 1pwu s ARG 510 Ca 0.79 0.87 -0.19 0.00 -0.52 0.00 0.00 55.73 56.69 1pwu s ARG 510 Cb -0.46 -2.84 0.01 0.00 0.52 0.00 0.00 34.95 32.18 1pwu s ARG 510 CO 0.35 0.37 0.65 0.00 0.02 0.00 0.00 175.30 176.69 1pwu s ALA 511 N -1.56 -0.95 0.02 2.13 0.00 -0.93 -1.83 121.76 118.63 1pwu s ALA 511 Ca 0.44 -0.45 0.08 0.00 0.00 0.00 0.00 51.96 52.03 1pwu s ALA 511 Cb -0.16 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1pwu s ALA 511 CO 0.21 -0.98 -0.24 0.20 0.00 0.00 0.00 175.76 174.95 1pwu s GLY 512 N -2.94 1.24 -0.07 0.00 0.00 0.13 -4.44 107.32 101.24 1pwu s GLY 512 Ca 0.14 -1.12 -0.15 0.00 0.00 0.00 0.00 44.72 43.58 1pwu s GLY 512 CO 0.07 -0.99 0.39 -0.47 0.00 0.00 0.00 173.10 172.10 1pwu s TYR 513 N -0.70 3.60 -0.07 1.90 5.04 -1.26 -0.24 117.35 125.62 1pwu s TYR 513 Ca 0.10 0.86 0.02 0.00 -2.44 0.00 0.00 57.07 55.61 1pwu s TYR 513 Cb -0.09 -2.36 -0.03 0.00 0.35 0.00 0.00 41.96 39.83 1pwu s TYR 513 CO 0.01 0.42 -0.11 -0.51 -1.34 0.00 0.00 175.55 174.02 1pwu s LEU 514 N -0.26 2.89 0.36 6.97 1.43 0.01 -4.95 118.68 125.13 1pwu s LEU 514 Ca 0.22 -0.16 0.13 0.00 -1.03 0.00 0.00 54.13 53.30 1pwu s LEU 514 Cb -0.15 -1.61 0.97 0.00 0.03 0.00 0.00 46.19 45.42 1pwu s LEU 514 CO 0.10 0.32 1.77 -0.33 0.23 0.00 0.00 176.35 178.44 1pwu h GLU 515 N 5.54 0.51 -1.09 1.70 4.39 -1.99 -2.36 114.58 121.29 1pwu h GLU 515 Ca -0.44 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1pwu h GLU 515 Cb 1.17 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1pwu h GLU 515 CO 0.52 0.34 0.00 0.27 -1.16 0.00 0.00 179.01 178.98 1pwu n ASN 516 N -4.72 2.10 -0.87 1.42 6.94 -1.26 -4.77 115.26 114.11 1pwu n ASN 516 Ca 0.25 -1.67 -0.07 0.00 -0.02 0.00 0.00 54.58 53.07 1pwu n ASN 516 Cb 0.76 -0.42 -0.00 0.00 -2.36 0.00 0.00 39.78 37.77 1pwu n ASN 516 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pwu n GLY 517 N 0.46 0.10 3.36 4.83 0.00 -0.89 -5.01 105.19 108.05 1pwu n GLY 517 Ca 0.00 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 1pwu n GLY 517 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwu s LYS 518 N -4.43 1.38 0.05 1.61 1.02 -1.20 -2.12 119.74 116.05 1pwu s LYS 518 Ca 0.01 -1.68 0.07 0.00 0.02 0.00 0.00 55.97 54.40 1pwu s LYS 518 Cb -0.01 -0.88 -0.03 0.00 -0.52 0.00 0.00 37.83 36.40 1pwu s LYS 518 CO 0.02 0.01 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.75 1pwu s LEU 519 N -3.34 2.18 -0.26 3.17 1.43 0.06 -0.81 118.68 121.12 1pwu s LEU 519 Ca 0.27 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.78 1pwu s LEU 519 Cb 0.04 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.34 1pwu s LEU 519 CO 0.09 0.13 0.04 -0.63 0.23 0.00 0.00 176.35 176.21 1pwu s ILE 520 N -0.85 3.86 0.24 -0.59 1.01 0.67 -1.43 121.20 124.10 1pwu s ILE 520 Ca 0.07 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 1pwu s ILE 520 Cb -0.09 -2.88 -0.08 0.00 0.01 0.00 0.00 42.46 39.43 1pwu s ILE 520 CO 0.02 0.25 0.62 -0.76 0.00 0.00 0.00 174.94 175.07 1pwu s LEU 521 N 1.52 4.18 0.79 2.97 1.43 -0.46 0.17 118.68 129.28 1pwu s LEU 521 Ca 0.04 1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 54.10 1pwu s LEU 521 Cb -0.16 -3.71 0.06 0.00 0.03 0.00 0.00 46.19 42.41 1pwu s LEU 521 CO 0.01 -0.07 1.13 0.00 0.23 0.00 0.00 176.35 177.65 1pwu n GLN 522 N 0.04 0.30 -1.82 1.70 10.64 -0.76 -3.74 117.38 123.74 1pwu n GLN 522 Ca 0.00 0.17 -0.30 0.00 -1.83 0.00 0.00 57.00 55.05 1pwu n GLN 522 Cb 0.52 -2.38 0.08 0.00 -0.86 0.00 0.00 30.24 27.60 1pwu n GLN 522 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1pwu s ARG 523 N -3.89 2.26 -0.97 2.61 1.70 -1.26 -4.43 118.95 114.97 1pwu s ARG 523 Ca 0.73 0.33 -0.00 0.00 -0.47 0.00 0.00 55.73 56.32 1pwu s ARG 523 Cb -0.31 -1.96 -0.01 0.00 -0.57 0.00 0.00 34.95 32.10 1pwu s ARG 523 CO 0.50 -1.43 0.81 0.09 -1.08 0.00 0.00 175.30 174.19 1pwu n ASN 524 N -3.25 -2.40 -4.93 -2.89 5.03 0.21 -4.99 115.26 102.04 1pwu n ASN 524 Ca 0.07 -0.51 -0.26 0.00 0.87 0.00 0.00 54.58 54.75 1pwu n ASN 524 Cb 0.59 -4.29 -0.02 0.00 -1.02 0.00 0.00 39.78 35.05 1pwu n ASN 524 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pwu s ILE 525 N -3.30 5.08 -0.01 2.41 -1.09 -0.78 -4.44 121.20 119.07 1pwu s ILE 525 Ca 0.04 -0.27 0.07 0.00 -2.23 0.00 0.00 60.65 58.25 1pwu s ILE 525 Cb -0.00 -3.82 -0.02 0.00 -1.58 0.00 0.00 42.46 37.03 1pwu s ILE 525 CO 0.60 -0.50 -0.22 -0.83 -1.23 0.00 0.00 174.94 172.76 1pwu s GLY 526 N -3.77 1.40 -0.05 6.18 0.00 -0.92 -2.15 107.32 108.01 1pwu s GLY 526 Ca 0.41 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1pwu s GLY 526 CO 0.35 -0.94 -0.02 1.08 0.00 0.00 0.00 173.10 173.57 1pwu s LEU 527 N -0.85 1.10 -0.15 0.66 1.43 -0.01 -0.60 118.68 120.26 1pwu s LEU 527 Ca 0.11 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.04 1pwu s LEU 527 Cb -0.10 -0.37 -0.05 0.00 0.03 0.00 0.00 46.19 45.70 1pwu s LEU 527 CO 0.01 -0.10 0.17 -1.61 0.23 0.00 0.00 176.35 175.04 1pwu s GLU 528 N 1.19 3.85 -0.34 1.70 2.02 -0.53 -0.08 118.70 126.51 1pwu s GLU 528 Ca -0.07 -0.11 -0.23 0.00 0.02 0.00 0.00 54.97 54.57 1pwu s GLU 528 Cb -0.14 -3.31 0.01 0.00 0.10 0.00 0.00 34.13 30.79 1pwu s GLU 528 CO -0.02 0.53 0.78 0.42 0.02 0.00 0.00 175.26 176.99 1pwu s ILE 529 N -0.32 4.76 -0.07 -1.63 -1.09 0.54 -1.26 121.20 122.13 1pwu s ILE 529 Ca 0.13 0.98 0.14 0.00 -2.23 0.00 0.00 60.65 59.66 1pwu s ILE 529 Cb -0.12 -4.18 -0.17 0.00 -1.58 0.00 0.00 42.46 36.41 1pwu s ILE 529 CO 0.02 -0.36 0.84 0.11 -1.23 0.00 0.00 174.94 174.32 1pwu h LYS 530 N 8.35 0.00 -1.71 2.79 1.79 -0.64 -3.47 116.57 123.68 1pwu h LYS 530 Ca -0.25 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.26 1pwu h LYS 530 Cb 1.10 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.52 1pwu h LYS 530 CO 0.90 0.46 0.40 0.34 -1.08 0.00 0.00 179.45 180.47 1pwu s ASP 531 N -6.06 -0.49 -0.07 0.86 3.68 -0.96 -4.98 116.67 108.65 1pwu s ASP 531 Ca -0.03 0.68 -0.02 0.00 2.13 0.00 0.00 52.55 55.31 1pwu s ASP 531 Cb 0.08 0.59 0.04 0.00 -1.45 0.00 0.00 42.92 42.18 1pwu s ASP 531 CO 0.81 -0.35 0.05 -0.69 0.13 0.00 0.00 175.17 175.12 1pwu s VAL 532 N -0.69 0.04 0.04 1.11 1.01 -1.26 -0.87 120.40 119.77 1pwu s VAL 532 Ca -0.03 0.22 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 1pwu s VAL 532 Cb -0.02 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 36.04 1pwu s VAL 532 CO 0.02 0.11 0.33 0.00 0.00 0.00 0.00 175.10 175.55 1pwu s GLN 533 N 2.10 0.82 0.04 2.72 -2.07 -0.85 -5.00 119.66 117.42 1pwu s GLN 533 Ca 0.04 -0.44 -0.30 0.00 -1.82 0.00 0.00 55.36 52.84 1pwu s GLN 533 Cb -0.13 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1pwu s GLN 533 CO -0.05 -0.26 1.01 0.42 -1.32 0.00 0.00 175.29 175.09 1pwu s ILE 534 N -2.41 4.64 0.05 3.63 1.01 -1.26 -0.60 121.20 126.26 1pwu s ILE 534 Ca -0.06 1.97 0.02 0.00 0.00 0.00 0.00 60.65 62.58 1pwu s ILE 534 Cb -0.01 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 1pwu s ILE 534 CO -0.02 0.19 -0.07 0.27 0.00 0.00 0.00 174.94 175.30 1pwu s ILE 535 N 0.75 0.56 -0.02 2.92 -4.36 -0.19 -4.37 121.20 116.49 1pwu s ILE 535 Ca 0.52 -1.25 -0.02 0.00 -0.26 0.00 0.00 60.65 59.63 1pwu s ILE 535 Cb -0.23 -0.82 -0.04 0.00 1.25 0.00 0.00 42.46 42.62 1pwu s ILE 535 CO 0.29 -0.49 0.14 -0.75 0.24 0.00 0.00 174.94 174.37 1pwu s LYS 536 N -2.05 3.29 -0.28 0.37 2.47 -1.26 -0.34 119.74 121.94 1pwu s LYS 536 Ca -0.06 -0.37 -0.23 0.00 -1.56 0.00 0.00 55.97 53.75 1pwu s LYS 536 Cb -0.07 -3.01 0.10 0.00 -1.46 0.00 0.00 37.83 33.39 1pwu s LYS 536 CO -0.01 0.67 0.85 -1.14 0.16 0.00 0.00 175.35 175.89 1pwu s GLN 537 N -1.79 0.65 -1.31 4.03 0.74 0.13 -4.77 119.66 117.35 1pwu s GLN 537 Ca 0.25 0.85 -0.25 0.00 0.05 0.00 0.00 55.36 56.25 1pwu s GLN 537 Cb -0.12 0.28 0.03 0.00 1.10 0.00 0.00 33.01 34.30 1pwu s GLN 537 CO 0.16 -0.09 0.50 0.43 -0.55 0.00 0.00 175.29 175.73 1pwu n SER 538 N 2.84 -2.72 0.00 6.67 7.64 -1.26 -0.39 113.62 126.40 1pwu n SER 538 Ca -0.15 -1.30 0.00 0.00 1.01 0.00 0.00 58.87 58.44 1pwu n SER 538 Cb 0.56 -1.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 1pwu n SER 538 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1pwu n GLU 539 N -4.94 0.00 -4.42 1.43 1.02 -1.26 -4.92 120.64 107.55 1pwu n GLU 539 Ca -0.17 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.72 1pwu n GLU 539 Cb 0.60 -4.37 -0.09 0.00 -0.02 0.00 0.00 31.44 27.56 1pwu n GLU 539 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1pwu s LYS 540 N -0.76 1.93 -0.03 3.49 1.02 0.48 -4.92 119.74 120.94 1pwu s LYS 540 Ca 0.00 -1.74 -0.02 0.00 0.02 0.00 0.00 55.97 54.23 1pwu s LYS 540 Cb 0.00 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 1pwu s LYS 540 CO 0.00 0.23 0.09 -1.21 -0.92 0.00 0.00 175.35 173.55 1pwu s GLU 541 N -3.62 3.15 0.27 1.68 2.02 -0.17 -0.70 118.70 121.34 1pwu s GLU 541 Ca 0.32 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.93 1pwu s GLU 541 Cb -0.02 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 1pwu s GLU 541 CO 0.17 0.68 0.14 0.71 0.02 0.00 0.00 175.26 176.98 1pwu s TYR 542 N -1.14 1.49 -0.35 1.61 1.51 0.53 -4.81 117.35 116.19 1pwu s TYR 542 Ca 0.21 -1.34 -0.07 0.00 -1.01 0.00 0.00 57.07 54.86 1pwu s TYR 542 Cb -0.12 -0.79 0.04 0.00 -0.11 0.00 0.00 41.96 40.98 1pwu s TYR 542 CO 0.11 -0.52 0.12 0.42 -1.11 0.00 0.00 175.55 174.58 1pwu s ILE 543 N -3.76 3.84 -0.05 2.71 1.01 -0.39 -1.02 121.20 123.53 1pwu s ILE 543 Ca 0.37 -1.15 -0.28 0.00 0.00 0.00 0.00 60.65 59.59 1pwu s ILE 543 Cb 0.06 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 1pwu s ILE 543 CO 0.16 -0.21 0.90 -0.60 0.00 0.00 0.00 174.94 175.19 1pwu s ARG 544 N 1.41 4.48 -0.26 2.79 6.06 0.23 -1.25 118.95 132.41 1pwu s ARG 544 Ca -0.01 1.24 0.03 0.00 -2.50 0.00 0.00 55.73 54.48 1pwu s ARG 544 Cb -0.20 -3.48 0.06 0.00 0.06 0.00 0.00 34.95 31.39 1pwu s ARG 544 CO 0.03 -0.10 -0.11 0.42 -2.50 0.00 0.00 175.30 173.04 1pwu s ILE 545 N 1.26 2.21 -0.34 4.11 1.01 -0.72 -2.00 121.20 126.74 1pwu s ILE 545 Ca 0.46 -1.58 -0.19 0.00 0.00 0.00 0.00 60.65 59.34 1pwu s ILE 545 Cb -0.19 -2.28 -0.00 0.00 0.01 0.00 0.00 42.46 40.00 1pwu s ILE 545 CO 0.22 0.00 0.59 -1.81 0.00 0.00 0.00 174.94 173.94 1pwu s ASP 546 N 1.12 6.41 0.13 3.58 1.01 -0.05 -0.18 116.67 128.69 1pwu s ASP 546 Ca -0.08 0.18 0.07 0.00 0.71 0.00 0.00 52.55 53.42 1pwu s ASP 546 Cb -0.20 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 1pwu s ASP 546 CO -0.05 -0.52 -0.15 0.00 0.21 0.00 0.00 175.17 174.66 1pwu s ALA 547 N 2.57 1.62 -0.11 5.23 0.00 0.17 0.11 121.76 131.34 1pwu s ALA 547 Ca 0.23 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 50.88 1pwu s ALA 547 Cb -0.15 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1pwu s ALA 547 CO 0.13 0.15 -0.16 0.21 0.00 0.00 0.00 175.76 176.09 1pwu s LYS 548 N -2.64 2.34 0.13 0.00 2.20 -0.39 -0.31 119.74 121.07 1pwu s LYS 548 Ca 0.10 -0.61 -0.31 0.00 -0.36 0.00 0.00 55.97 54.80 1pwu s LYS 548 Cb -0.05 -1.96 -0.08 0.00 -1.51 0.00 0.00 37.83 34.23 1pwu s LYS 548 CO 0.04 -0.04 1.31 0.08 -0.36 0.00 0.00 175.35 176.38 1pwu s VAL 549 N 0.92 3.46 0.20 4.02 1.01 -0.43 -1.46 120.40 128.13 1pwu s VAL 549 Ca -0.07 1.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.98 1pwu s VAL 549 Cb -0.15 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1pwu s VAL 549 CO -0.01 0.11 0.16 0.68 0.00 0.00 0.00 175.10 176.04 1pwu s VAL 550 N 0.75 0.01 0.23 2.92 -7.23 0.23 -4.46 120.40 112.84 1pwu s VAL 550 Ca 0.60 -1.93 -0.32 0.00 -1.81 0.00 0.00 61.98 58.52 1pwu s VAL 550 Cb -0.35 -2.44 -0.12 0.00 0.56 0.00 0.00 36.38 34.03 1pwu s VAL 550 CO 0.32 -0.03 1.70 -2.84 -0.31 0.00 0.00 175.10 173.95 1pwu s PRO 551 N -4.14 4.12 0.56 4.82 0.02 -1.26 -2.17 135.00 136.95 1pwu s PRO 551 Ca 0.36 2.61 0.25 0.00 0.02 0.00 0.00 61.00 64.25 1pwu s PRO 551 Cb 0.06 -3.06 1.50 0.00 0.02 0.00 0.00 34.50 33.03 1pwu s PRO 551 CO 0.11 -0.74 2.09 -0.22 -0.33 0.00 0.00 177.00 177.92 1pwu h LYS 552 N 6.40 0.00 -0.40 5.54 3.64 -1.84 0.32 116.57 130.23 1pwu h LYS 552 Ca -0.44 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.91 1pwu h LYS 552 Cb 1.20 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1pwu h LYS 552 CO 0.93 0.00 0.10 0.66 -2.27 0.00 0.00 179.45 178.86 1pwu h SER 553 N 0.00 0.54 -0.74 4.20 4.64 -1.92 0.10 113.55 120.37 1pwu h SER 553 Ca 0.10 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 1pwu h SER 553 Cb 0.48 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 1pwu h SER 553 CO -0.00 0.55 0.36 0.50 -0.87 0.00 0.00 176.83 177.36 1pwu h LYS 554 N 0.58 1.06 -0.07 4.77 3.64 -1.29 0.05 116.57 125.32 1pwu h LYS 554 Ca 0.13 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1pwu h LYS 554 Cb 0.22 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1pwu h LYS 554 CO -0.00 0.83 -0.14 0.82 -2.27 0.00 0.00 179.45 178.69 1pwu h ILE 555 N 1.03 1.42 -0.66 2.00 5.03 -1.44 -3.05 117.51 121.84 1pwu h ILE 555 Ca 0.25 -1.45 0.12 0.00 -0.12 0.00 0.00 64.86 63.67 1pwu h ILE 555 Cb 0.12 2.21 -0.09 0.00 -3.03 0.00 0.00 36.82 36.03 1pwu h ILE 555 CO -0.03 0.40 0.21 0.44 -0.68 0.00 0.00 178.15 178.49 1pwu h ASP 556 N -0.28 0.15 -0.92 1.72 3.45 -0.77 0.60 116.42 120.37 1pwu h ASP 556 Ca 0.00 0.10 0.12 0.00 0.43 0.00 0.00 57.03 57.69 1pwu h ASP 556 Cb 0.72 0.11 -0.08 0.00 -0.56 0.00 0.00 39.33 39.52 1pwu h ASP 556 CO 0.03 0.07 0.54 0.74 -1.57 0.00 0.00 179.24 179.05 1pwu h THR 557 N 0.36 0.87 -0.44 0.35 2.02 -1.01 0.81 112.91 115.86 1pwu h THR 557 Ca 0.35 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1pwu h THR 557 Cb 0.50 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1pwu h THR 557 CO -0.38 0.16 0.23 0.11 0.37 0.00 0.00 175.52 176.01 1pwu h LYS 558 N 0.85 0.62 -0.40 6.66 1.57 -0.80 -0.80 116.57 124.28 1pwu h LYS 558 Ca 0.46 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1pwu h LYS 558 Cb 0.50 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1pwu h LYS 558 CO -0.28 0.51 0.24 0.82 -0.57 0.00 0.00 179.45 180.16 1pwu h ILE 559 N 0.58 1.13 -0.41 1.86 2.04 -0.42 -1.01 117.51 121.28 1pwu h ILE 559 Ca 0.15 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 1pwu h ILE 559 Cb 0.08 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1pwu h ILE 559 CO -0.02 0.13 0.01 1.56 0.00 0.00 0.00 178.15 179.83 1pwu h GLN 560 N 0.52 0.65 -0.20 2.37 1.08 -0.62 0.22 115.11 119.14 1pwu h GLN 560 Ca 0.14 -0.15 -0.13 0.00 -1.45 0.00 0.00 58.65 57.06 1pwu h GLN 560 Cb 0.00 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1pwu h GLN 560 CO -0.03 0.66 -0.45 0.93 -0.95 0.00 0.00 178.83 178.99 1pwu h GLU 561 N 0.61 0.49 -0.38 1.46 5.08 -0.88 -2.18 114.58 118.78 1pwu h GLU 561 Ca 0.13 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1pwu h GLU 561 Cb 0.37 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1pwu h GLU 561 CO 0.01 0.84 0.14 0.00 -1.00 0.00 0.00 179.01 179.00 1pwu h ALA 562 N 1.12 0.50 -0.57 3.43 0.00 -0.40 0.11 119.26 123.45 1pwu h ALA 562 Ca 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1pwu h ALA 562 Cb 0.94 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1pwu h ALA 562 CO 0.08 0.12 0.37 0.37 0.00 0.00 0.00 179.25 180.19 1pwu h GLN 563 N 0.47 0.72 -0.31 0.00 4.15 -0.81 0.90 115.11 120.24 1pwu h GLN 563 Ca 0.13 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.52 1pwu h GLN 563 Cb 0.22 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1pwu h GLN 563 CO -0.01 0.48 0.17 -0.07 -1.93 0.00 0.00 178.83 177.47 1pwu h LEU 564 N 0.74 0.26 0.62 -2.39 3.38 -1.10 -2.00 115.31 114.83 1pwu h LEU 564 Ca 0.22 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1pwu h LEU 564 Cb -0.04 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1pwu h LEU 564 CO -0.07 0.19 -0.33 -1.13 0.09 0.00 0.00 178.44 177.20 1pwu h ASN 565 N 0.35 -0.79 -0.11 -0.43 -0.73 -0.21 -2.19 115.58 111.46 1pwu h ASN 565 Ca 0.12 0.03 0.03 0.00 1.87 0.00 0.00 56.30 58.36 1pwu h ASN 565 Cb 0.02 0.22 -0.00 0.00 0.27 0.00 0.00 38.32 38.82 1pwu h ASN 565 CO -0.07 -0.54 0.15 -0.29 -0.37 0.00 0.00 177.43 176.31 1pwu h ILE 566 N -0.88 0.37 0.19 2.57 2.10 -0.74 -1.81 117.51 119.31 1pwu h ILE 566 Ca -0.08 0.00 -0.33 0.00 1.08 0.00 0.00 64.86 65.53 1pwu h ILE 566 Cb 0.69 0.88 0.02 0.00 -1.09 0.00 0.00 36.82 37.31 1pwu h ILE 566 CO 0.12 0.00 -1.57 0.78 -1.08 0.00 0.00 178.15 176.40 1pwu h ASN 567 N 0.00 0.63 -0.25 2.19 2.35 -1.08 -2.55 115.58 116.86 1pwu h ASN 567 Ca 0.05 -0.80 -0.00 0.00 -0.55 0.00 0.00 56.30 55.00 1pwu h ASN 567 Cb 0.34 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1pwu h ASN 567 CO -0.00 1.65 0.14 1.56 -1.65 0.00 0.00 177.43 179.13 1pwu h GLN 568 N 0.11 0.35 0.06 0.81 4.20 -0.76 0.12 115.11 120.00 1pwu h GLN 568 Ca -0.27 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.40 1pwu h GLN 568 Cb 2.10 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.80 1pwu h GLN 568 CO 0.21 0.31 -0.07 1.49 -0.67 0.00 0.00 178.83 180.09 1pwu h GLU 569 N 0.30 -0.15 0.00 1.46 4.81 -1.45 -2.54 114.58 117.01 1pwu h GLU 569 Ca 0.09 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1pwu h GLU 569 Cb 0.05 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1pwu h GLU 569 CO -0.02 -0.10 -0.28 -1.49 -0.73 0.00 0.00 179.01 176.39 1pwu h TRP 570 N -0.16 0.00 -0.24 0.92 4.06 -1.40 -2.56 115.95 116.57 1pwu h TRP 570 Ca 0.01 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.90 1pwu h TRP 570 Cb 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 1pwu h TRP 570 CO -0.11 0.18 -0.12 -0.91 -3.56 0.00 0.00 178.44 173.91 1pwu h ASN 571 N 0.00 0.37 0.22 -3.49 -0.26 -0.68 -0.99 115.58 110.75 1pwu h ASN 571 Ca -0.01 -0.09 -0.26 0.00 -0.56 0.00 0.00 56.30 55.38 1pwu h ASN 571 Cb 1.14 -0.10 0.02 0.00 -1.06 0.00 0.00 38.32 38.32 1pwu h ASN 571 CO 0.02 0.53 -1.08 0.50 -1.06 0.00 0.00 177.43 176.35 1pwu h LYS 572 N 0.37 0.54 0.00 0.81 3.64 -1.36 0.48 116.57 121.04 1pwu h LYS 572 Ca 0.07 -0.64 -0.02 0.00 -1.27 0.00 0.00 60.65 58.79 1pwu h LYS 572 Cb 0.44 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1pwu h LYS 572 CO 0.03 1.25 -0.09 0.00 -2.27 0.00 0.00 179.45 178.37 1pwu h ALA 573 N 0.51 1.00 -0.01 5.00 0.00 -1.18 -3.11 119.26 121.48 1pwu h ALA 573 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1pwu h ALA 573 Cb 1.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1pwu h ALA 573 CO 0.20 0.11 -0.15 1.28 0.00 0.00 0.00 179.25 180.70 1pwu n LEU 574 N -3.20 1.49 -1.63 0.00 4.32 -0.40 -4.99 117.00 112.59 1pwu n LEU 574 Ca 0.01 -0.85 -0.10 0.00 -0.02 0.00 0.00 56.01 55.05 1pwu n LEU 574 Cb 0.38 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.21 1pwu n LEU 574 CO 0.30 0.29 0.05 0.61 -1.22 0.00 0.00 177.39 177.43 1pwu n GLY 575 N 0.82 0.24 3.92 -0.72 0.00 -0.64 -4.95 105.19 103.86 1pwu n GLY 575 Ca 0.05 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 1pwu n GLY 575 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pwu s LEU 576 N -3.43 4.09 0.35 0.99 1.43 0.16 -5.03 118.68 117.25 1pwu s LEU 576 Ca 0.19 0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 53.56 1pwu s LEU 576 Cb -0.08 -3.35 -0.12 0.00 0.03 0.00 0.00 46.19 42.66 1pwu s LEU 576 CO 0.24 -0.19 1.03 -2.65 0.23 0.00 0.00 176.35 175.01 1pwu n PRO 577 N -1.16 1.43 -0.32 1.29 -0.02 -1.26 -4.65 135.00 130.31 1pwu n PRO 577 Ca -0.04 0.51 0.15 0.00 -2.02 0.00 0.00 63.50 62.10 1pwu n PRO 577 Cb 0.55 -1.98 0.34 0.00 -0.02 0.00 0.00 33.50 32.39 1pwu n PRO 577 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pwu h LYS 578 N 1.84 0.45 -0.88 -0.52 3.64 -1.96 -2.71 116.57 116.43 1pwu h LYS 578 Ca -0.42 -0.03 -0.45 0.00 -1.27 0.00 0.00 60.65 58.47 1pwu h LYS 578 Cb 1.33 -0.10 -0.27 0.00 -0.41 0.00 0.00 32.23 32.78 1pwu h LYS 578 CO 0.59 0.30 0.52 0.66 -2.27 0.00 0.00 179.45 179.25 1pwu n TYR 579 N -4.99 2.72 -2.92 1.91 0.53 -1.26 -4.79 117.16 108.36 1pwu n TYR 579 Ca 0.24 -1.80 -0.34 0.00 -1.02 0.00 0.00 57.90 54.98 1pwu n TYR 579 Cb 0.69 -0.87 -0.07 0.00 -1.03 0.00 0.00 39.34 38.07 1pwu n TYR 579 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 1pwu s THR 580 N -3.29 4.44 -0.70 -0.72 -1.32 -1.02 -5.01 115.64 108.02 1pwu s THR 580 Ca 0.55 1.41 -0.13 0.00 -1.21 0.00 0.00 61.69 62.31 1pwu s THR 580 Cb 0.47 -3.71 0.18 0.00 -1.51 0.00 0.00 72.50 67.93 1pwu s THR 580 CO 0.09 -0.14 0.63 -0.54 -2.21 0.00 0.00 174.62 172.44 1pwu s LYS 581 N -2.78 3.24 -0.15 7.08 1.02 -1.26 -4.86 119.74 122.02 1pwu s LYS 581 Ca 0.56 -2.21 -0.16 0.00 0.02 0.00 0.00 55.97 54.17 1pwu s LYS 581 Cb -0.12 -4.28 -0.05 0.00 -0.52 0.00 0.00 37.83 32.86 1pwu s LYS 581 CO 0.17 -1.28 -0.31 -0.11 -0.92 0.00 0.00 175.35 172.90 1pwu n LEU 582 N 4.33 1.84 -4.72 3.17 0.00 -1.26 -4.86 117.00 115.50 1pwu n LEU 582 Ca 0.04 0.31 -0.40 0.00 0.00 0.00 0.00 56.01 55.96 1pwu n LEU 582 Cb 0.44 -0.70 -0.04 0.00 0.00 0.00 0.00 43.42 43.11 1pwu n LEU 582 CO 0.39 -0.32 0.45 -0.63 0.00 0.00 0.00 177.39 177.28 1pwu s ILE 583 N -2.80 5.01 -0.03 1.96 1.01 -1.26 -1.32 121.20 123.76 1pwu s ILE 583 Ca -0.26 1.55 0.02 0.00 0.00 0.00 0.00 60.65 61.96 1pwu s ILE 583 Cb 0.04 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 38.43 1pwu s ILE 583 CO 0.38 0.24 -0.06 0.28 0.00 0.00 0.00 174.94 175.79 1pwu s THR 584 N 0.80 0.58 -0.40 2.92 -1.32 -0.37 -4.90 115.64 112.95 1pwu s THR 584 Ca 0.40 -0.21 -0.15 0.00 -1.21 0.00 0.00 61.69 60.52 1pwu s THR 584 Cb -0.18 -0.56 0.02 0.00 -1.51 0.00 0.00 72.50 70.27 1pwu s THR 584 CO 0.20 0.21 0.29 -0.36 -2.21 0.00 0.00 174.62 172.75 1pwu s PHE 585 N 0.49 3.24 -0.99 9.09 2.99 -1.26 -1.56 117.98 129.98 1pwu s PHE 585 Ca -0.07 -0.56 -0.05 0.00 0.00 0.00 0.00 56.93 56.26 1pwu s PHE 585 Cb -0.10 -2.58 0.25 0.00 0.00 0.00 0.00 43.02 40.58 1pwu s PHE 585 CO 0.00 -0.57 0.94 -1.71 -0.00 0.00 0.00 175.22 173.88 1pwu n ASN 586 N 5.16 4.80 -4.41 1.36 5.15 -0.84 -5.00 115.26 121.47 1pwu n ASN 586 Ca -0.11 -3.11 -0.34 0.00 -0.60 0.00 0.00 54.58 50.42 1pwu n ASN 586 Cb 0.47 -1.19 -0.13 0.00 -0.53 0.00 0.00 39.78 38.40 1pwu n ASN 586 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1pwu s VAL 587 N -1.40 3.67 0.00 3.44 1.01 -1.26 -2.91 120.40 122.95 1pwu s VAL 587 Ca 0.29 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1pwu s VAL 587 Cb -0.08 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1pwu s VAL 587 CO -0.10 0.45 0.01 1.41 0.00 0.00 0.00 175.10 176.87 1pwu n HIS 588 N 4.17 0.00 -4.05 5.22 8.25 -1.26 -5.03 115.22 122.52 1pwu n HIS 588 Ca -0.18 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.03 1pwu n HIS 588 Cb 0.52 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.61 1pwu n HIS 588 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pwu n ASN 589 N -0.01 2.76 0.12 0.41 5.03 -1.26 -3.78 115.26 118.53 1pwu n ASN 589 Ca 0.00 -2.78 0.06 0.00 0.87 0.00 0.00 54.58 52.73 1pwu n ASN 589 Cb 0.16 0.05 0.34 0.00 -1.02 0.00 0.00 39.78 39.32 1pwu n ASN 589 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1pwu n ARG 590 N -1.54 0.08 -0.46 3.52 5.12 -0.25 -1.21 116.66 121.93 1pwu n ARG 590 Ca -0.06 0.55 0.06 0.00 -1.93 0.00 0.00 57.85 56.46 1pwu n ARG 590 Cb 0.57 -1.93 0.22 0.00 -1.16 0.00 0.00 32.46 30.17 1pwu n ARG 590 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1pwu n TYR 591 N -1.95 0.78 -0.16 -1.55 9.36 -1.26 -4.38 117.16 118.01 1pwu n TYR 591 Ca -0.01 -1.08 -0.04 0.00 3.32 0.00 0.00 57.90 60.09 1pwu n TYR 591 Cb 0.17 -0.32 -0.04 0.00 -0.63 0.00 0.00 39.34 38.52 1pwu n TYR 591 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1pwu n ALA 592 N -0.84 -0.24 -0.12 2.98 0.00 -0.35 -1.00 120.51 120.95 1pwu n ALA 592 Ca 0.23 0.32 0.15 0.00 0.00 0.00 0.00 53.44 54.14 1pwu n ALA 592 Cb 0.88 0.05 0.52 0.00 0.00 0.00 0.00 19.45 20.90 1pwu n ALA 592 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pwu h SER 593 N 0.00 0.34 0.00 0.00 4.64 -1.65 -2.12 113.55 114.77 1pwu h SER 593 Ca 0.06 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.30 1pwu h SER 593 Cb 0.15 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1pwu h SER 593 CO -0.35 0.19 -0.29 -1.13 -0.87 0.00 0.00 176.83 174.38 1pwu h ASN 594 N 0.37 0.44 -0.48 4.97 -0.73 -1.14 -2.11 115.58 116.89 1pwu h ASN 594 Ca 0.33 -0.15 -0.01 0.00 1.87 0.00 0.00 56.30 58.33 1pwu h ASN 594 Cb 0.76 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.21 1pwu h ASN 594 CO -0.09 0.71 0.26 0.40 -0.37 0.00 0.00 177.43 178.34 1pwu h ILE 595 N 0.38 1.17 0.59 2.57 1.08 -1.38 0.02 117.51 121.94 1pwu h ILE 595 Ca 0.05 -0.44 -0.03 0.00 -0.39 0.00 0.00 64.86 64.06 1pwu h ILE 595 Cb 0.70 0.58 0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1pwu h ILE 595 CO 0.05 0.18 -0.29 0.58 -0.69 0.00 0.00 178.15 177.99 1pwu h VAL 596 N 0.64 0.33 -0.47 1.67 2.07 -1.47 -2.84 116.25 116.18 1pwu h VAL 596 Ca 0.17 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1pwu h VAL 596 Cb 0.06 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1pwu h VAL 596 CO -0.03 0.03 0.19 -0.33 0.02 0.00 0.00 177.57 177.45 1pwu h GLU 597 N -0.98 0.66 0.00 1.57 4.39 -1.37 -2.10 114.58 116.76 1pwu h GLU 597 Ca -0.08 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 1pwu h GLU 597 Cb 0.66 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1pwu h GLU 597 CO 0.13 0.55 -0.11 0.66 -1.16 0.00 0.00 179.01 179.08 1pwu h SER 598 N 0.66 0.00 -0.68 1.42 4.64 -1.00 -2.78 113.55 115.80 1pwu h SER 598 Ca 0.16 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 1pwu h SER 598 Cb 0.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 1pwu h SER 598 CO -0.02 0.11 0.27 0.00 -0.87 0.00 0.00 176.83 176.33 1pwu h ALA 599 N 1.89 0.88 0.00 5.18 0.00 -1.12 -0.02 119.26 126.08 1pwu h ALA 599 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pwu h ALA 599 Cb 0.58 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1pwu h ALA 599 CO 0.01 0.51 -0.02 1.88 0.00 0.00 0.00 179.25 181.63 1pwu h TYR 600 N 0.97 -0.05 -0.71 0.00 -1.99 -1.55 -1.88 116.97 111.74 1pwu h TYR 600 Ca 0.23 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.97 1pwu h TYR 600 Cb 0.21 0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.93 1pwu h TYR 600 CO 0.01 -0.04 0.47 -0.07 -0.00 0.00 0.00 178.16 178.54 1pwu h LEU 601 N -0.04 0.81 -0.03 3.88 3.38 -1.48 -2.35 115.31 119.48 1pwu h LEU 601 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1pwu h LEU 601 Cb 0.05 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1pwu h LEU 601 CO -0.02 0.58 -0.00 0.40 0.09 0.00 0.00 178.44 179.49 1pwu h ILE 602 N 0.95 1.27 0.00 1.22 2.04 -0.76 -2.65 117.51 119.59 1pwu h ILE 602 Ca 0.26 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1pwu h ILE 602 Cb -0.09 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1pwu h ILE 602 CO -0.06 0.22 -0.03 -0.07 0.00 0.00 0.00 178.15 178.21 1pwu h LEU 603 N -0.28 0.00 -0.01 1.44 3.38 -1.12 -2.22 115.31 116.50 1pwu h LEU 603 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1pwu h LEU 603 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1pwu h LEU 603 CO 0.00 0.03 -0.04 0.78 0.09 0.00 0.00 178.44 179.30 1pwu h ASN 604 N 0.00 0.05 -0.01 -0.43 2.35 -1.27 -2.18 115.58 114.09 1pwu h ASN 604 Ca -0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 56.30 55.08 1pwu h ASN 604 Cb 0.07 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 1pwu h ASN 604 CO 0.00 0.71 0.01 -0.33 -1.65 0.00 0.00 177.43 176.17 1pwu h GLU 605 N -0.61 0.00 -0.21 0.81 4.39 -1.11 -1.17 114.58 116.68 1pwu h GLU 605 Ca -0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 1pwu h GLU 605 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1pwu h GLU 605 CO 0.01 0.00 -0.51 2.35 -1.16 0.00 0.00 179.01 179.70 1pwu h TRP 606 N 0.00 0.91 0.08 4.33 7.01 -1.32 -2.87 115.95 124.10 1pwu h TRP 606 Ca 0.00 -0.35 -0.25 0.00 2.11 0.00 0.00 58.89 60.40 1pwu h TRP 606 Cb 0.01 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 26.90 1pwu h TRP 606 CO 0.00 1.14 -1.18 -0.22 -2.79 0.00 0.00 178.44 175.39 1pwu h LYS 607 N 0.43 0.17 -0.65 2.65 3.64 -0.67 -3.13 116.57 119.01 1pwu h LYS 607 Ca -0.00 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1pwu h LYS 607 Cb 1.12 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1pwu h LYS 607 CO 0.11 1.12 0.00 0.09 -2.27 0.00 0.00 179.45 178.51 1pwu n ASN 608 N -3.46 1.12 0.00 4.20 5.03 -0.52 -3.35 115.26 118.28 1pwu n ASN 608 Ca -0.06 -2.06 0.00 0.00 0.87 0.00 0.00 54.58 53.33 1pwu n ASN 608 Cb 1.00 -0.35 0.00 0.00 -1.02 0.00 0.00 39.78 39.40 1pwu n ASN 608 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1pwu n ASN 609 N -0.05 0.03 -4.06 6.41 4.13 -1.08 -5.01 115.26 115.61 1pwu n ASN 609 Ca 0.03 -0.94 -0.13 0.00 1.68 0.00 0.00 54.58 55.22 1pwu n ASN 609 Cb 0.25 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.38 1pwu n ASN 609 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pwu s ILE 610 N -0.00 0.53 -0.11 2.41 1.01 -1.19 -4.72 121.20 119.14 1pwu s ILE 610 Ca 0.00 -1.10 -0.33 0.00 0.00 0.00 0.00 60.65 59.22 1pwu s ILE 610 Cb 0.00 -0.62 -0.11 0.00 0.01 0.00 0.00 42.46 41.74 1pwu s ILE 610 CO 0.00 -0.40 1.96 0.00 0.00 0.00 0.00 174.94 176.50 1pwu n GLN 611 N 1.43 2.16 -0.30 2.79 3.00 -1.26 -4.80 117.38 120.40 1pwu n GLN 611 Ca -0.23 0.77 0.34 0.00 -0.01 0.00 0.00 57.00 57.88 1pwu n GLN 611 Cb 0.55 -2.74 0.75 0.00 0.00 0.00 0.00 30.24 28.79 1pwu n GLN 611 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1pwu h SER 612 N 10.28 0.00 1.32 1.08 0.87 -1.97 0.59 113.55 125.72 1pwu h SER 612 Ca -0.46 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.08 1pwu h SER 612 Cb 1.27 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1pwu h SER 612 CO 0.96 0.00 -0.69 0.44 -0.53 0.00 0.00 176.83 177.00 1pwu h ASP 613 N 0.00 0.00 0.28 6.23 3.32 -2.00 -3.09 116.42 121.17 1pwu h ASP 613 Ca 0.55 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.40 1pwu h ASP 613 Cb 2.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.78 1pwu h ASP 613 CO -0.01 0.06 -0.79 0.25 -1.72 0.00 0.00 179.24 177.03 1pwu h LEU 614 N 0.00 0.49 0.46 1.55 5.85 -0.20 -3.07 115.31 120.39 1pwu h LEU 614 Ca -0.01 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1pwu h LEU 614 Cb 1.05 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.94 1pwu h LEU 614 CO 0.01 1.10 -0.22 0.40 -0.34 0.00 0.00 178.44 179.39 1pwu h ILE 615 N 0.26 0.49 -0.50 4.05 2.04 -1.41 -2.91 117.51 119.53 1pwu h ILE 615 Ca -0.04 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.53 1pwu h ILE 615 Cb 1.39 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 38.04 1pwu h ILE 615 CO 0.14 0.06 0.09 0.11 0.00 0.00 0.00 178.15 178.55 1pwu h LYS 616 N -0.85 0.22 -0.35 2.37 1.57 -1.61 0.28 116.57 118.20 1pwu h LYS 616 Ca -0.06 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1pwu h LYS 616 Cb 0.57 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1pwu h LYS 616 CO 0.10 0.15 0.15 0.87 -0.57 0.00 0.00 179.45 180.15 1pwu h LYS 617 N 0.23 0.52 -0.23 3.15 1.79 -1.62 -0.20 116.57 120.20 1pwu h LYS 617 Ca 0.25 -0.09 -0.04 0.00 -2.18 0.00 0.00 60.65 58.59 1pwu h LYS 617 Cb 0.34 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1pwu h LYS 617 CO -0.33 0.50 -0.02 0.28 -1.08 0.00 0.00 179.45 178.79 1pwu h VAL 618 N 0.43 1.27 -0.12 0.50 2.07 -1.22 -1.76 116.25 117.41 1pwu h VAL 618 Ca 0.12 -0.96 -0.13 0.00 0.82 0.00 0.00 66.70 66.54 1pwu h VAL 618 Cb 0.17 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1pwu h VAL 618 CO -0.01 0.30 -0.50 0.71 0.02 0.00 0.00 177.57 178.08 1pwu h THR 619 N 0.18 1.34 -0.69 2.57 1.35 -0.43 -1.03 112.91 116.21 1pwu h THR 619 Ca 0.06 -1.75 0.01 0.00 -0.55 0.00 0.00 66.41 64.19 1pwu h THR 619 Cb 0.45 1.80 -0.03 0.00 -1.73 0.00 0.00 68.15 68.64 1pwu h THR 619 CO 0.02 0.53 0.45 0.78 -0.25 0.00 0.00 175.52 177.05 1pwu h ASN 620 N 0.26 0.79 -0.60 5.36 2.35 -0.97 0.36 115.58 123.13 1pwu h ASN 620 Ca 0.01 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1pwu h ASN 620 Cb 0.98 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.13 1pwu h ASN 620 CO 0.08 0.57 0.40 0.22 -1.65 0.00 0.00 177.43 177.05 1pwu h TYR 621 N 0.93 0.75 0.57 1.19 3.20 -0.92 -0.33 116.97 122.36 1pwu h TYR 621 Ca 0.25 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 1pwu h TYR 621 Cb -0.10 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 37.92 1pwu h TYR 621 CO -0.03 0.47 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.62 1pwu h LEU 622 N 0.81 -0.65 -1.27 2.82 3.38 -0.17 -2.77 115.31 117.47 1pwu h LEU 622 Ca 0.22 -0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.37 1pwu h LEU 622 Cb -0.09 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 1pwu h LEU 622 CO -0.05 -0.38 0.61 0.58 0.09 0.00 0.00 178.44 179.29 1pwu h VAL 623 N -0.88 0.70 -0.98 1.22 2.07 -0.12 0.35 116.25 118.61 1pwu h VAL 623 Ca -0.08 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.30 1pwu h VAL 623 Cb 0.63 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 1pwu h VAL 623 CO 0.13 0.11 0.63 -0.78 0.02 0.00 0.00 177.57 177.68 1pwu h ASP 624 N 0.59 1.01 -0.30 0.57 3.58 -0.79 0.97 116.42 122.05 1pwu h ASP 624 Ca 0.52 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.98 1pwu h ASP 624 Cb 1.04 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.88 1pwu h ASP 624 CO -0.27 0.65 0.00 0.61 -2.88 0.00 0.00 179.24 177.35 1pwu n GLY 625 N -1.36 1.66 2.49 -0.78 0.00 0.11 -4.88 105.19 102.43 1pwu n GLY 625 Ca 0.15 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 1pwu n GLY 625 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pwu n ASN 626 N 0.38 -5.48 -4.67 1.61 4.13 0.34 -4.74 115.26 106.83 1pwu n ASN 626 Ca 0.13 -0.08 -0.29 0.00 1.68 0.00 0.00 54.58 56.01 1pwu n ASN 626 Cb 0.56 -4.48 0.17 0.00 -1.54 0.00 0.00 39.78 34.49 1pwu n ASN 626 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1pwu s GLY 627 N -2.31 1.61 0.04 7.41 0.00 -0.34 -4.94 107.32 108.79 1pwu s GLY 627 Ca 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 44.72 44.70 1pwu s GLY 627 CO 0.09 0.50 0.09 0.50 0.00 0.00 0.00 173.10 174.28 1pwu s ARG 628 N -4.82 0.60 -0.50 2.90 1.81 -1.20 -4.66 118.95 113.08 1pwu s ARG 628 Ca 0.65 -0.79 -0.06 0.00 -1.72 0.00 0.00 55.73 53.81 1pwu s ARG 628 Cb -0.20 0.23 0.13 0.00 -0.45 0.00 0.00 34.95 34.67 1pwu s ARG 628 CO 0.59 -0.15 0.34 -0.06 -0.68 0.00 0.00 175.30 175.34 1pwu s PHE 629 N -2.74 3.50 -0.31 -0.53 2.99 -0.43 -0.83 117.98 119.63 1pwu s PHE 629 Ca -0.04 -2.26 -0.15 0.00 0.00 0.00 0.00 56.93 54.49 1pwu s PHE 629 Cb -0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 43.02 39.63 1pwu s PHE 629 CO -0.05 -0.95 0.34 0.08 -0.00 0.00 0.00 175.22 174.64 1pwu s VAL 630 N 0.91 5.19 -0.35 -0.44 1.01 -0.35 -1.23 120.40 125.14 1pwu s VAL 630 Ca 0.10 0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 1pwu s VAL 630 Cb -0.23 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1pwu s VAL 630 CO -0.03 0.05 0.19 -0.36 0.00 0.00 0.00 175.10 174.95 1pwu s PHE 631 N 2.01 3.21 0.20 5.22 0.40 -0.60 -0.94 117.98 127.48 1pwu s PHE 631 Ca 0.12 -0.71 0.01 0.00 -0.60 0.00 0.00 56.93 55.75 1pwu s PHE 631 Cb -0.16 -2.41 -0.05 0.00 0.51 0.00 0.00 43.02 40.91 1pwu s PHE 631 CO 0.11 -0.54 0.05 -0.08 0.70 0.00 0.00 175.22 175.46 1pwu s THR 632 N 1.60 0.54 -0.07 0.64 -1.32 -0.74 -1.98 115.64 114.31 1pwu s THR 632 Ca 0.04 -1.98 0.10 0.00 -1.21 0.00 0.00 61.69 58.63 1pwu s THR 632 Cb -0.18 -2.32 0.15 0.00 -1.51 0.00 0.00 72.50 68.64 1pwu s THR 632 CO 0.07 -0.28 1.04 -0.90 -2.21 0.00 0.00 174.62 172.34 1pwu n ASP 633 N -0.31 1.71 -4.70 8.08 5.75 -1.15 -1.78 116.55 124.15 1pwu n ASP 633 Ca -0.04 -2.47 -0.25 0.00 -0.01 0.00 0.00 54.79 52.03 1pwu n ASP 633 Cb 0.64 -0.25 -0.07 0.00 -1.03 0.00 0.00 41.12 40.42 1pwu n ASP 633 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1pwu s ILE 634 N -1.72 3.87 0.35 2.12 -4.36 -1.26 -4.75 121.20 115.45 1pwu s ILE 634 Ca 0.16 -1.52 -0.28 0.00 -0.26 0.00 0.00 60.65 58.75 1pwu s ILE 634 Cb 0.14 -3.01 -0.10 0.00 1.25 0.00 0.00 42.46 40.74 1pwu s ILE 634 CO 0.02 -0.23 1.32 0.42 0.24 0.00 0.00 174.94 176.70 1pwu s THR 635 N -1.98 2.66 0.39 8.37 -4.23 -0.68 -4.91 115.64 115.26 1pwu s THR 635 Ca 0.30 0.65 0.20 0.00 -1.18 0.00 0.00 61.69 61.65 1pwu s THR 635 Cb -0.08 -3.41 0.39 0.00 1.34 0.00 0.00 72.50 70.74 1pwu s THR 635 CO 0.21 0.15 1.70 -0.07 -0.54 0.00 0.00 174.62 176.06 1pwu h LEU 636 N 3.23 0.43 -1.22 4.79 4.07 -1.87 0.11 115.31 124.85 1pwu h LEU 636 Ca -0.49 0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.60 1pwu h LEU 636 Cb 1.23 0.08 0.00 0.00 1.08 0.00 0.00 40.66 43.05 1pwu h LEU 636 CO 0.65 -0.05 0.02 -2.65 -1.08 0.00 0.00 178.44 175.33 1pwu n PRO 637 N -4.79 0.12 -0.22 1.13 -0.02 -1.24 -1.44 135.00 128.54 1pwu n PRO 637 Ca 0.31 0.61 0.11 0.00 -2.02 0.00 0.00 63.50 62.51 1pwu n PRO 637 Cb 1.05 -1.91 0.22 0.00 -0.02 0.00 0.00 33.50 32.84 1pwu n PRO 637 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pwu n ASN 638 N -2.15 3.48 -4.67 2.55 3.02 0.37 -4.57 115.26 113.29 1pwu n ASN 638 Ca -0.01 -1.98 -0.38 0.00 -0.03 0.00 0.00 54.58 52.18 1pwu n ASN 638 Cb 0.05 -0.28 -0.07 0.00 -0.61 0.00 0.00 39.78 38.86 1pwu n ASN 638 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pwu s ILE 639 N -1.34 5.19 0.30 2.41 1.09 -0.52 -4.96 121.20 123.36 1pwu s ILE 639 Ca 0.39 0.74 0.03 0.00 -1.10 0.00 0.00 60.65 60.71 1pwu s ILE 639 Cb 0.22 -3.74 0.29 0.00 -1.06 0.00 0.00 42.46 38.17 1pwu s ILE 639 CO 0.30 0.24 1.83 0.00 -0.10 0.00 0.00 174.94 177.22 1pwu h ALA 640 N 7.36 1.59 0.00 9.38 0.00 -1.90 0.08 119.26 135.77 1pwu h ALA 640 Ca -0.36 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1pwu h ALA 640 Cb 1.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1pwu h ALA 640 CO 0.72 0.15 0.36 0.39 0.00 0.00 0.00 179.25 180.87 1pwu n GLU 641 N -4.63 0.06 -0.01 0.00 4.71 -1.26 -1.88 120.64 117.63 1pwu n GLU 641 Ca 0.19 0.48 -0.04 0.00 -0.01 0.00 0.00 57.16 57.78 1pwu n GLU 641 Cb 0.40 -2.05 -0.01 0.00 -1.01 0.00 0.00 31.44 28.77 1pwu n GLU 641 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 1pwu n GLN 642 N -1.81 0.08 0.27 3.49 7.27 -0.06 -4.55 117.38 122.07 1pwu n GLN 642 Ca -0.01 0.04 0.14 0.00 0.07 0.00 0.00 57.00 57.24 1pwu n GLN 642 Cb 0.37 -0.64 0.79 0.00 2.41 0.00 0.00 30.24 33.17 1pwu n GLN 642 CO 0.00 0.00 0.00 0.10 0.07 0.00 0.00 177.06 177.23 1pwu h TYR 643 N -0.14 0.00 0.00 3.69 -0.00 -1.09 -2.02 116.97 117.41 1pwu h TYR 643 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.65 1pwu h TYR 643 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.60 1pwu h TYR 643 CO -0.02 0.09 0.00 0.25 -0.00 0.00 0.00 178.16 178.47 1pwu n THR 644 N -3.62 0.01 -1.73 -0.90 -2.24 -0.79 -2.91 114.28 102.10 1pwu n THR 644 Ca -0.02 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.82 1pwu n THR 644 Cb 0.20 -0.55 0.16 0.00 -2.10 0.00 0.00 70.33 68.04 1pwu n THR 644 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pwu n HIS 645 N -1.03 0.00 -4.21 4.78 8.25 -0.76 -5.04 115.22 117.21 1pwu n HIS 645 Ca 0.21 -1.21 -0.35 0.00 -0.26 0.00 0.00 57.72 56.11 1pwu n HIS 645 Cb 0.11 -0.21 -0.10 0.00 1.12 0.00 0.00 29.99 30.91 1pwu n HIS 645 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1pwu s GLN 646 N -2.48 3.50 -0.01 -0.41 -0.21 -1.15 -5.00 119.66 113.91 1pwu s GLN 646 Ca 0.35 -0.38 -0.24 0.00 0.02 0.00 0.00 55.36 55.12 1pwu s GLN 646 Cb 0.35 -3.00 -0.16 0.00 1.00 0.00 0.00 33.01 31.21 1pwu s GLN 646 CO -0.08 0.47 1.12 -0.44 -2.12 0.00 0.00 175.29 174.24 1pwu h ASP 647 N 5.96 -0.29 -2.63 5.90 3.32 -1.96 -3.45 116.42 123.27 1pwu h ASP 647 Ca -0.43 -0.23 -0.60 0.00 0.02 0.00 0.00 57.03 55.80 1pwu h ASP 647 Cb 1.19 0.08 -0.15 0.00 0.22 0.00 0.00 39.33 40.66 1pwu h ASP 647 CO 0.62 0.13 -0.77 -1.61 -1.72 0.00 0.00 179.24 175.89 1pwu s GLU 648 N -4.25 1.58 0.03 3.56 0.41 -1.26 -5.06 118.70 113.70 1pwu s GLU 648 Ca -0.14 -1.67 -0.21 0.00 -0.41 0.00 0.00 54.97 52.54 1pwu s GLU 648 Cb 0.02 -1.68 -0.15 0.00 -1.78 0.00 0.00 34.13 30.53 1pwu s GLU 648 CO 0.52 0.32 1.33 0.82 -0.49 0.00 0.00 175.26 177.76 1pwu h ILE 649 N 2.58 1.36 0.00 -1.63 2.04 -1.91 -2.96 117.51 116.98 1pwu h ILE 649 Ca -0.41 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.15 1pwu h ILE 649 Cb 1.24 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1pwu h ILE 649 CO 0.57 0.37 0.00 0.00 0.00 0.00 0.00 178.15 179.09 1pwu n TYR 650 N -4.60 0.00 1.36 1.37 0.18 -1.26 -0.75 117.16 113.46 1pwu n TYR 650 Ca -0.07 0.00 0.14 0.00 1.88 0.00 0.00 57.90 59.86 1pwu n TYR 650 Cb 0.35 -0.49 0.67 0.00 -0.38 0.00 0.00 39.34 39.49 1pwu n TYR 650 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1pwu n GLU 651 N -1.49 0.45 -0.70 -3.48 1.02 -1.12 -4.77 120.64 110.55 1pwu n GLU 651 Ca 0.00 -0.08 -0.32 0.00 -0.02 0.00 0.00 57.16 56.75 1pwu n GLU 651 Cb 0.01 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.09 1pwu n GLU 651 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pwu n GLN 652 N -1.21 -0.69 -3.87 3.49 10.64 0.07 -5.04 117.38 120.77 1pwu n GLN 652 Ca 0.13 -0.15 -0.12 0.00 -1.83 0.00 0.00 57.00 55.02 1pwu n GLN 652 Cb 0.27 -2.10 -0.14 0.00 -0.86 0.00 0.00 30.24 27.41 1pwu n GLN 652 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1pwu s VAL 653 N -2.49 0.00 -0.04 -0.39 1.01 -1.26 -5.08 120.40 112.15 1pwu s VAL 653 Ca 0.62 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.65 1pwu s VAL 653 Cb -0.22 -0.02 0.01 0.00 0.00 0.00 0.00 36.38 36.14 1pwu s VAL 653 CO 0.63 0.01 -0.12 -2.28 0.00 0.00 0.00 175.10 173.34 1pwu s HIS 654 N 0.10 1.34 0.00 5.22 5.04 -1.26 -3.63 115.29 122.10 1pwu s HIS 654 Ca -0.01 -0.41 0.00 0.00 -1.54 0.00 0.00 55.06 53.10 1pwu s HIS 654 Cb -0.01 -0.95 0.00 0.00 0.04 0.00 0.00 32.58 31.66 1pwu s HIS 654 CO -0.00 -0.18 0.00 -1.13 -2.34 0.00 0.00 174.74 171.09 1pwu n SER 655 N 3.45 0.00 -0.06 9.88 3.41 -1.26 -5.02 113.62 124.02 1pwu n SER 655 Ca -0.20 -0.99 -0.11 0.00 -0.26 0.00 0.00 58.87 57.31 1pwu n SER 655 Cb 0.53 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.43 1pwu n SER 655 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1pwu h LYS 656 N 0.00 0.30 -4.00 4.33 3.11 -1.94 -3.39 116.57 114.99 1pwu h LYS 656 Ca 0.00 -0.07 -0.10 0.00 -2.81 0.00 0.00 60.65 57.67 1pwu h LYS 656 Cb 0.00 -0.04 -0.14 0.00 -1.00 0.00 0.00 32.23 31.05 1pwu h LYS 656 CO 0.00 0.42 -0.49 0.20 -2.81 0.00 0.00 179.45 176.77 1pwu s GLY 657 N -2.84 0.29 -0.27 5.01 0.00 -1.26 -0.88 107.32 107.38 1pwu s GLY 657 Ca -0.14 -0.89 -0.23 0.00 0.00 0.00 0.00 44.72 43.47 1pwu s GLY 657 CO 0.71 -1.02 0.76 -2.27 0.00 0.00 0.00 173.10 171.28 1pwu s LEU 658 N -2.90 -0.75 -0.14 0.66 0.20 -0.34 -4.98 118.68 110.44 1pwu s LEU 658 Ca 0.07 1.38 -0.03 0.00 0.69 0.00 0.00 54.13 56.24 1pwu s LEU 658 Cb 0.06 2.37 -0.03 0.00 -0.43 0.00 0.00 46.19 48.16 1pwu s LEU 658 CO -0.09 -0.23 -0.02 -0.47 -0.29 0.00 0.00 176.35 175.24 1pwu s TYR 659 N 0.64 3.06 -0.33 5.38 5.04 -1.26 -0.57 117.35 129.31 1pwu s TYR 659 Ca -0.02 -0.14 0.01 0.00 -2.44 0.00 0.00 57.07 54.48 1pwu s TYR 659 Cb -0.05 -1.91 0.08 0.00 0.35 0.00 0.00 41.96 40.43 1pwu s TYR 659 CO -0.04 0.11 0.04 0.08 -1.34 0.00 0.00 175.55 174.40 1pwu s VAL 660 N 0.02 2.70 0.22 3.14 1.01 -0.79 -4.99 120.40 121.71 1pwu s VAL 660 Ca 0.01 -1.86 -0.07 0.00 0.00 0.00 0.00 61.98 60.06 1pwu s VAL 660 Cb -0.13 -2.75 0.17 0.00 0.00 0.00 0.00 36.38 33.68 1pwu s VAL 660 CO 0.02 -0.36 1.82 -0.65 0.00 0.00 0.00 175.10 175.93 1pwu h PRO 661 N 7.86 0.75 -0.69 2.72 0.11 -1.96 0.54 132.00 141.33 1pwu h PRO 661 Ca -0.14 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.90 1pwu h PRO 661 Cb 1.04 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 1pwu h PRO 661 CO 0.55 0.50 0.31 0.93 -0.21 0.00 0.00 178.00 180.08 1pwu h GLU 662 N 0.77 0.98 0.00 1.05 3.07 -1.94 -2.91 114.58 115.60 1pwu h GLU 662 Ca 0.34 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1pwu h GLU 662 Cb 0.22 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1pwu h GLU 662 CO -0.19 0.77 -1.18 -1.13 -1.40 0.00 0.00 179.01 175.87 1pwu n SER 663 N -4.33 0.80 -3.51 1.42 3.41 -1.07 -4.99 113.62 105.35 1pwu n SER 663 Ca 0.06 -0.79 -0.18 0.00 -0.26 0.00 0.00 58.87 57.70 1pwu n SER 663 Cb 0.14 1.18 0.07 0.00 -0.26 0.00 0.00 64.21 65.34 1pwu n SER 663 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pwu n ARG 664 N -1.65 -5.93 -4.17 4.33 1.74 0.19 -3.65 116.66 107.51 1pwu n ARG 664 Ca 0.02 0.77 -0.17 0.00 -0.77 0.00 0.00 57.85 57.71 1pwu n ARG 664 Cb 0.38 -5.64 -0.12 0.00 -1.02 0.00 0.00 32.46 26.07 1pwu n ARG 664 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1pwu s SER 665 N -4.33 1.59 -0.20 0.55 0.01 -1.07 -3.23 113.70 107.02 1pwu s SER 665 Ca 0.01 -0.68 -0.06 0.00 1.31 0.00 0.00 55.95 56.54 1pwu s SER 665 Cb -0.00 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 1pwu s SER 665 CO 0.76 -0.14 0.04 -0.63 0.41 0.00 0.00 173.24 173.68 1pwu s ILE 666 N -1.63 4.33 -0.19 1.44 1.01 -0.01 -1.88 121.20 124.27 1pwu s ILE 666 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 1pwu s ILE 666 Cb -0.08 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 1pwu s ILE 666 CO 0.02 0.42 -0.02 -0.76 0.00 0.00 0.00 174.94 174.60 1pwu s LEU 667 N 0.86 3.17 -0.20 2.97 1.43 0.26 -1.22 118.68 125.95 1pwu s LEU 667 Ca 0.02 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1pwu s LEU 667 Cb -0.14 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.33 1pwu s LEU 667 CO 0.02 0.08 -0.13 -0.22 0.23 0.00 0.00 176.35 176.34 1pwu s LEU 668 N 0.87 2.47 -0.41 1.79 2.96 -0.11 -1.19 118.68 125.06 1pwu s LEU 668 Ca -0.00 -0.92 -0.20 0.00 -0.22 0.00 0.00 54.13 52.79 1pwu s LEU 668 Cb -0.14 -1.36 0.01 0.00 0.50 0.00 0.00 46.19 45.20 1pwu s LEU 668 CO 0.02 -0.12 0.59 -2.28 -1.32 0.00 0.00 176.35 173.24 1pwu s HIS 669 N 1.31 3.11 0.02 5.38 5.65 -0.06 -1.80 115.29 128.91 1pwu s HIS 669 Ca -0.01 0.02 -0.27 0.00 0.25 0.00 0.00 55.06 55.05 1pwu s HIS 669 Cb -0.16 -3.18 -0.15 0.00 -1.18 0.00 0.00 32.58 27.91 1pwu s HIS 669 CO -0.09 -0.75 1.15 0.78 -0.65 0.00 0.00 174.74 175.19 1pwu h GLY 670 N 9.45 -0.94 -1.73 1.59 0.00 -1.64 -3.34 103.07 106.47 1pwu h GLY 670 Ca -0.26 0.35 0.53 0.00 0.00 0.00 0.00 47.33 47.95 1pwu h GLY 670 CO 0.85 -0.34 1.20 -1.05 0.00 0.00 0.00 176.54 177.19 1pwu n PRO 671 N -5.39 -0.02 -1.49 4.80 -0.02 -1.26 -4.68 135.00 126.95 1pwu n PRO 671 Ca -0.12 1.16 -0.29 0.00 -2.02 0.00 0.00 63.50 62.23 1pwu n PRO 671 Cb 0.37 -2.49 0.16 0.00 -0.02 0.00 0.00 33.50 31.51 1pwu n PRO 671 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1pwu s SER 672 N -4.03 3.00 -0.26 2.55 0.15 -1.25 -1.10 113.70 112.75 1pwu s SER 672 Ca -0.06 0.84 -0.01 0.00 0.70 0.00 0.00 55.95 57.43 1pwu s SER 672 Cb 0.29 -1.31 0.08 0.00 -1.71 0.00 0.00 66.02 63.37 1pwu s SER 672 CO 0.86 -2.86 0.03 -0.75 1.20 0.00 0.00 173.24 171.72 1pwu s LYS 673 N -5.35 1.04 0.61 5.44 2.47 -1.26 -3.89 119.74 118.80 1pwu s LYS 673 Ca 0.66 -0.92 -0.17 0.00 -1.56 0.00 0.00 55.97 53.97 1pwu s LYS 673 Cb -0.13 -2.31 -0.03 0.00 -1.46 0.00 0.00 37.83 33.91 1pwu s LYS 673 CO 0.54 -0.76 1.14 0.20 0.16 0.00 0.00 175.35 176.62 1pwu s GLY 674 N 1.56 2.44 -0.39 5.54 0.00 -1.26 -4.84 107.32 110.37 1pwu s GLY 674 Ca 0.02 0.74 -0.39 0.00 0.00 0.00 0.00 44.72 45.10 1pwu s GLY 674 CO -0.13 1.11 2.13 3.33 0.00 0.00 0.00 173.10 179.54 1pwu n VAL 675 N -1.88 0.14 -1.00 1.40 0.24 -1.26 -3.31 118.33 112.65 1pwu n VAL 675 Ca 0.12 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1pwu n VAL 675 Cb 0.51 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 1pwu n VAL 675 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1pwu n GLU 676 N 7.69 0.00 -3.73 7.34 -0.58 -1.26 -4.93 120.64 125.17 1pwu n GLU 676 Ca 0.44 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.91 1pwu n GLU 676 Cb 0.13 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 30.83 1pwu n GLU 676 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1pwu s LEU 677 N -0.16 1.04 0.00 -4.62 1.43 -1.21 -5.08 118.68 110.08 1pwu s LEU 677 Ca 0.00 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1pwu s LEU 677 Cb 0.00 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.67 1pwu s LEU 677 CO 0.00 -0.30 0.32 -1.14 0.23 0.00 0.00 176.35 175.46 1pwu n ARG 678 N 5.08 0.00 -2.24 1.70 3.00 -1.26 -4.75 116.66 118.19 1pwu n ARG 678 Ca -0.09 0.32 -0.03 0.00 -0.00 0.00 0.00 57.85 58.06 1pwu n ARG 678 Cb 0.48 -0.55 -0.01 0.00 0.00 0.00 0.00 32.46 32.38 1pwu n ARG 678 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1pwu n ASN 679 N -1.44 1.34 0.08 6.15 2.04 -1.26 -5.04 115.26 117.12 1pwu n ASN 679 Ca 0.00 -1.21 -0.01 0.00 -0.44 0.00 0.00 54.58 52.92 1pwu n ASN 679 Cb 0.00 0.08 0.27 0.00 -2.53 0.00 0.00 39.78 37.60 1pwu n ASN 679 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 1pwu h ASP 680 N 0.15 0.31 0.53 0.53 3.45 -1.97 -3.07 116.42 116.34 1pwu h ASP 680 Ca -0.03 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.31 1pwu h ASP 680 Cb 0.12 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 1pwu h ASP 680 CO 0.05 0.58 -0.48 0.28 -1.57 0.00 0.00 179.24 178.11 1pwu h SER 681 N 0.28 -1.30 -0.89 6.45 0.02 -1.96 0.23 113.55 116.38 1pwu h SER 681 Ca 0.04 0.10 0.22 0.00 -0.84 0.00 0.00 61.79 61.31 1pwu h SER 681 Cb 0.63 0.42 -0.16 0.00 0.14 0.00 0.00 62.40 63.43 1pwu h SER 681 CO 0.05 -0.65 0.01 -0.33 -1.14 0.00 0.00 176.83 174.77 1pwu h GLU 682 N -1.00 0.06 -0.40 3.45 4.39 -1.94 0.20 114.58 119.35 1pwu h GLU 682 Ca -0.07 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1pwu h GLU 682 Cb 0.85 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 1pwu h GLU 682 CO -0.03 0.04 0.25 0.78 -1.16 0.00 0.00 179.01 178.88 1pwu h GLY 683 N 0.06 0.58 0.98 -3.84 0.00 -1.22 -0.62 103.07 99.02 1pwu h GLY 683 Ca 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 1pwu h GLY 683 CO -0.81 0.23 0.26 -2.75 0.00 0.00 0.00 176.54 173.47 1pwu h PHE 684 N 0.53 0.80 -0.80 5.60 3.57 0.24 -2.72 116.94 124.16 1pwu h PHE 684 Ca 0.14 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1pwu h PHE 684 Cb -0.01 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 1pwu h PHE 684 CO -0.04 0.62 0.33 0.82 -2.23 0.00 0.00 178.31 177.82 1pwu h ILE 685 N 0.75 1.26 -0.91 1.41 2.04 -0.82 -1.47 117.51 119.77 1pwu h ILE 685 Ca 0.19 -0.81 0.07 0.00 1.00 0.00 0.00 64.86 65.32 1pwu h ILE 685 Cb 0.13 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 36.43 1pwu h ILE 685 CO -0.02 0.33 0.57 -0.74 0.00 0.00 0.00 178.15 178.29 1pwu h HIS 686 N 1.16 1.05 -0.19 1.37 2.76 -0.84 -0.41 115.15 120.05 1pwu h HIS 686 Ca 0.27 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.32 1pwu h HIS 686 Cb 0.20 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 1pwu h HIS 686 CO 0.02 0.51 -0.49 0.00 -1.30 0.00 0.00 177.93 176.67 1pwu h PHE 688 N 0.41 0.00 -0.03 0.00 3.57 -0.24 -0.71 116.94 119.93 1pwu h PHE 688 Ca 0.02 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1pwu h PHE 688 Cb 1.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1pwu h PHE 688 CO 0.04 0.11 -0.03 0.78 -2.23 0.00 0.00 178.31 176.98 1pwu h GLY 689 N 0.36 -0.00 1.07 2.40 0.00 -0.39 -0.87 103.07 105.64 1pwu h GLY 689 Ca -0.00 0.04 0.11 0.00 0.00 0.00 0.00 47.33 47.48 1pwu h GLY 689 CO 0.01 -0.04 0.38 0.45 0.00 0.00 0.00 176.54 177.34 1pwu h HIS 690 N -0.05 0.33 -0.38 5.60 3.86 -1.03 -0.56 115.15 122.92 1pwu h HIS 690 Ca 0.03 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1pwu h HIS 690 Cb 0.09 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1pwu h HIS 690 CO -0.13 0.15 -0.05 0.00 0.86 0.00 0.00 177.93 178.76 1pwu h ALA 691 N 1.72 0.52 -0.13 2.45 0.00 -0.52 -2.77 119.26 120.53 1pwu h ALA 691 Ca 0.26 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pwu h ALA 691 Cb 0.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1pwu h ALA 691 CO -0.06 0.35 0.08 0.28 0.00 0.00 0.00 179.25 179.90 1pwu h VAL 692 N 0.53 1.07 0.00 0.00 2.07 0.15 0.99 116.25 121.06 1pwu h VAL 692 Ca 0.10 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1pwu h VAL 692 Cb 0.55 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1pwu h VAL 692 CO 0.03 0.06 0.14 -0.67 0.02 0.00 0.00 177.57 177.15 1pwu n ASP 693 N -4.97 0.44 -0.10 0.57 4.64 -0.57 -1.21 116.55 115.34 1pwu n ASP 693 Ca -0.05 0.66 -0.20 0.00 -1.38 0.00 0.00 54.79 53.82 1pwu n ASP 693 Cb 0.05 -0.67 -0.10 0.00 -1.04 0.00 0.00 41.12 39.37 1pwu n ASP 693 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1pwu n ASP 694 N -2.13 1.86 -0.01 1.67 -0.08 0.21 -2.97 116.55 115.11 1pwu n ASP 694 Ca -0.01 0.45 -0.12 0.00 -1.51 0.00 0.00 54.79 53.60 1pwu n ASP 694 Cb 0.16 -0.94 -0.08 0.00 2.34 0.00 0.00 41.12 42.61 1pwu n ASP 694 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1pwu h TYR 695 N -1.00 0.10 -0.93 -0.67 3.20 -0.60 -1.42 116.97 115.65 1pwu h TYR 695 Ca -0.32 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.62 1pwu h TYR 695 Cb 1.20 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 39.37 1pwu h TYR 695 CO 0.02 0.32 0.58 0.00 -1.64 0.00 0.00 178.16 177.44 1pwu h ALA 696 N 0.77 1.31 0.00 1.82 0.00 -1.38 0.32 119.26 122.10 1pwu h ALA 696 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pwu h ALA 696 Cb 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1pwu h ALA 696 CO 0.00 0.28 0.00 0.78 0.00 0.00 0.00 179.25 180.31 1pwu h GLY 697 N 1.00 0.00 1.06 0.00 0.00 -1.50 -2.66 103.07 100.96 1pwu h GLY 697 Ca 0.42 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.44 1pwu h GLY 697 CO -0.21 0.00 -1.44 -1.82 0.00 0.00 0.00 176.54 173.07 1pwu h TYR 698 N 0.00 0.84 -0.47 5.60 -0.00 0.69 -3.34 116.97 120.28 1pwu h TYR 698 Ca 0.00 -0.61 -0.02 0.00 -0.00 0.00 0.00 58.73 58.09 1pwu h TYR 698 Cb 0.43 -0.03 -0.02 0.00 -0.00 0.00 0.00 36.73 37.11 1pwu h TYR 698 CO 0.00 1.55 0.19 -0.07 -0.00 0.00 0.00 178.16 179.83 1pwu h LEU 699 N 0.03 0.61 0.00 2.82 3.38 -0.78 -2.49 115.31 118.88 1pwu h LEU 699 Ca -0.26 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1pwu h LEU 699 Cb 2.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.65 1pwu h LEU 699 CO 0.23 0.55 0.00 0.18 0.09 0.00 0.00 178.44 179.49 1pwu n LEU 700 N -4.36 0.33 -4.30 1.67 4.77 -1.15 -4.04 117.00 109.92 1pwu n LEU 700 Ca 0.04 0.52 -0.44 0.00 -0.03 0.00 0.00 56.01 56.10 1pwu n LEU 700 Cb 0.15 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1pwu n LEU 700 CO 0.38 -0.09 1.32 0.47 -1.33 0.00 0.00 177.39 178.13 1pwu n ASP 701 N -0.77 5.38 0.00 -1.43 8.00 -1.24 -4.76 116.55 121.72 1pwu n ASP 701 Ca 0.00 -3.05 0.02 0.00 0.71 0.00 0.00 54.79 52.47 1pwu n ASP 701 Cb 0.00 -1.48 0.10 0.00 -0.02 0.00 0.00 41.12 39.72 1pwu n ASP 701 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1pwu n LYS 702 N 4.23 0.01 0.09 -1.24 5.02 -0.94 -0.11 118.16 125.22 1pwu n LYS 702 Ca 0.33 0.38 0.12 0.00 -2.02 0.00 0.00 58.31 57.12 1pwu n LYS 702 Cb 0.40 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.97 1pwu n LYS 702 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1pwu h ASN 703 N 0.00 0.00 -1.92 4.39 7.08 -1.86 -3.48 115.58 119.79 1pwu h ASN 703 Ca 0.00 -0.10 -0.62 0.00 -3.08 0.00 0.00 56.30 52.50 1pwu h ASN 703 Cb 0.07 0.00 -0.13 0.00 -2.08 0.00 0.00 38.32 36.18 1pwu h ASN 703 CO 0.00 0.05 -0.50 -1.58 -2.08 0.00 0.00 177.43 173.32 1pwu s GLN 704 N -3.28 2.08 -0.56 4.14 0.74 0.84 -5.11 119.66 118.51 1pwu s GLN 704 Ca 0.02 -2.30 0.04 0.00 0.05 0.00 0.00 55.36 53.17 1pwu s GLN 704 Cb 0.11 -0.98 0.14 0.00 1.10 0.00 0.00 33.01 33.39 1pwu s GLN 704 CO 0.76 -0.46 0.33 -1.12 -0.55 0.00 0.00 175.29 174.25 1pwu s SER 705 N -3.74 4.29 0.04 6.67 0.01 -1.26 -4.81 113.70 114.90 1pwu s SER 705 Ca 0.14 -3.22 -0.02 0.00 1.31 0.00 0.00 55.95 54.17 1pwu s SER 705 Cb 0.01 -1.52 -0.03 0.00 0.21 0.00 0.00 66.02 64.69 1pwu s SER 705 CO 0.09 -0.19 0.00 -0.62 0.41 0.00 0.00 173.24 172.94 1pwu s ASP 706 N -0.55 0.36 0.02 2.44 -1.08 -1.26 -5.11 116.67 111.49 1pwu s ASP 706 Ca 0.20 -0.78 -0.23 0.00 -0.52 0.00 0.00 52.55 51.22 1pwu s ASP 706 Cb -0.18 0.19 -0.05 0.00 -1.46 0.00 0.00 42.92 41.41 1pwu s ASP 706 CO -0.05 -0.52 0.68 -0.76 0.52 0.00 0.00 175.17 175.04 1pwu s LEU 707 N -2.43 4.43 0.41 -1.34 1.43 -1.26 -3.91 118.68 116.00 1pwu s LEU 707 Ca -0.01 1.30 0.28 0.00 -1.03 0.00 0.00 54.13 54.68 1pwu s LEU 707 Cb 0.02 -3.08 1.46 0.00 0.03 0.00 0.00 46.19 44.63 1pwu s LEU 707 CO -0.07 0.05 1.86 1.62 0.23 0.00 0.00 176.35 180.05 1pwu h VAL 708 N 4.14 0.00 0.00 -1.59 3.04 -1.79 0.28 116.25 120.33 1pwu h VAL 708 Ca -0.44 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1pwu h VAL 708 Cb 1.20 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1pwu h VAL 708 CO 0.70 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.26 1pwu h THR 709 N 0.00 0.00 0.00 3.17 1.03 -1.92 -3.00 112.91 112.19 1pwu h THR 709 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 1pwu h THR 709 Cb 0.09 1.48 0.00 0.00 -1.07 0.00 0.00 68.15 68.65 1pwu h THR 709 CO 0.00 0.00 -0.54 -3.20 -0.01 0.00 0.00 175.52 171.77 1pwu n ASN 710 N -2.32 0.65 -4.73 0.00 4.05 0.97 -4.56 115.26 109.33 1pwu n ASN 710 Ca 0.05 0.11 -0.38 0.00 0.45 0.00 0.00 54.58 54.81 1pwu n ASN 710 Cb 0.42 0.08 0.05 0.00 1.23 0.00 0.00 39.78 41.56 1pwu n ASN 710 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1pwu n SER 711 N -2.01 2.40 -0.04 1.20 3.41 -1.13 -4.77 113.62 112.68 1pwu n SER 711 Ca 0.04 0.95 -0.08 0.00 -0.26 0.00 0.00 58.87 59.51 1pwu n SER 711 Cb 0.42 -1.55 -0.02 0.00 -0.26 0.00 0.00 64.21 62.80 1pwu n SER 711 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1pwu h LYS 712 N 1.25 0.06 -0.21 4.33 5.09 -1.91 -0.93 116.57 124.25 1pwu h LYS 712 Ca -0.50 -0.00 0.06 0.00 0.09 0.00 0.00 60.65 60.29 1pwu h LYS 712 Cb 1.31 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 33.62 1pwu h LYS 712 CO 0.56 0.04 0.64 -0.22 -2.09 0.00 0.00 179.45 178.38 1pwu h LYS 713 N 0.06 0.00 0.02 0.07 3.64 -1.95 0.15 116.57 118.57 1pwu h LYS 713 Ca 0.10 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.08 1pwu h LYS 713 Cb 0.12 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.88 1pwu h LYS 713 CO -0.17 0.00 -2.38 0.34 -2.27 0.00 0.00 179.45 174.98 1pwu n PHE 714 N -2.99 0.23 -0.36 1.91 7.35 -0.47 -4.11 117.46 119.02 1pwu n PHE 714 Ca 0.04 0.06 0.26 0.00 -0.76 0.00 0.00 57.45 57.04 1pwu n PHE 714 Cb 0.74 -1.03 0.52 0.00 0.35 0.00 0.00 39.48 40.06 1pwu n PHE 714 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1pwu h ILE 715 N -0.20 0.36 -0.04 -2.13 2.04 0.20 0.16 117.51 117.90 1pwu h ILE 715 Ca -0.57 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1pwu h ILE 715 Cb 1.85 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1pwu h ILE 715 CO -0.13 0.06 -0.03 0.44 0.00 0.00 0.00 178.15 178.49 1pwu h ASP 716 N 0.31 0.10 -0.81 1.72 3.45 -1.68 -2.83 116.42 116.67 1pwu h ASP 716 Ca 0.70 -0.46 0.15 0.00 0.43 0.00 0.00 57.03 57.85 1pwu h ASP 716 Cb 1.80 -0.03 -0.06 0.00 -0.56 0.00 0.00 39.33 40.49 1pwu h ASP 716 CO -0.44 0.54 0.53 0.40 -1.57 0.00 0.00 179.24 178.70 1pwu h ILE 717 N -0.34 0.79 0.00 0.35 2.04 -0.87 0.56 117.51 120.03 1pwu h ILE 717 Ca 0.01 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1pwu h ILE 717 Cb 0.51 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1pwu h ILE 717 CO 0.01 0.09 -0.18 0.15 0.00 0.00 0.00 178.15 178.21 1pwu h PHE 718 N 0.49 0.00 0.00 1.37 3.57 -1.19 0.18 116.94 121.35 1pwu h PHE 718 Ca 0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.90 1pwu h PHE 718 Cb 0.85 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1pwu h PHE 718 CO -0.00 0.18 0.00 1.63 -2.23 0.00 0.00 178.31 177.89 1pwu n LYS 719 N -3.32 0.57 0.03 1.11 5.02 0.19 -2.07 118.16 119.70 1pwu n LYS 719 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1pwu n LYS 719 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1pwu n LYS 719 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1pwu n GLU 720 N -1.21 0.00 0.00 1.97 2.13 -0.76 -4.80 120.64 117.97 1pwu n GLU 720 Ca 0.17 0.00 0.13 0.00 0.66 0.00 0.00 57.16 58.11 1pwu n GLU 720 Cb 0.20 -0.43 0.31 0.00 0.27 0.00 0.00 31.44 31.79 1pwu n GLU 720 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1pwu n GLU 721 N -3.23 1.22 -0.31 5.31 1.02 0.54 -4.60 120.64 120.59 1pwu n GLU 721 Ca 0.00 -0.82 -0.04 0.00 -0.02 0.00 0.00 57.16 56.27 1pwu n GLU 721 Cb 0.20 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.09 1pwu n GLU 721 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pwu n GLY 722 N 1.32 1.69 0.00 0.62 0.00 -0.88 -0.84 105.19 107.11 1pwu n GLY 722 Ca 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1pwu n GLY 722 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pwu n SER 723 N 3.04 0.00 0.00 1.61 7.64 -1.26 -4.72 113.62 119.93 1pwu n SER 723 Ca 0.14 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.13 1pwu n SER 723 Cb 0.25 0.00 0.64 0.00 -1.01 0.00 0.00 64.21 64.09 1pwu n SER 723 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pwu n ASN 724 N 0.00 0.00 -3.04 6.43 3.02 -0.02 -4.81 115.26 116.84 1pwu n ASN 724 Ca 0.00 -0.66 -0.16 0.00 -0.03 0.00 0.00 54.58 53.73 1pwu n ASN 724 Cb 0.00 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1pwu n ASN 724 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1pwu n LEU 725 N -1.01 0.00 -2.22 3.41 4.77 -1.26 -4.83 117.00 115.86 1pwu n LEU 725 Ca 0.16 -2.01 -0.27 0.00 -0.03 0.00 0.00 56.01 53.86 1pwu n LEU 725 Cb 0.08 0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 41.79 1pwu n LEU 725 CO 0.12 -0.31 0.14 0.35 -1.33 0.00 0.00 177.39 176.37 1pwu n THR 726 N -0.60 0.48 -0.31 -5.08 -2.24 -1.26 -4.70 114.28 100.57 1pwu n THR 726 Ca -0.04 -0.12 0.17 0.00 -2.27 0.00 0.00 64.05 61.79 1pwu n THR 726 Cb 0.39 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 68.98 1pwu n THR 726 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1pwu h SER 727 N 1.01 0.17 -0.51 3.42 0.02 -1.99 0.34 113.55 116.02 1pwu h SER 727 Ca -0.20 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1pwu h SER 727 Cb 0.72 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 1pwu h SER 727 CO 0.31 -0.15 0.29 0.22 -1.14 0.00 0.00 176.83 176.36 1pwu h TYR 728 N 0.25 0.69 -0.10 3.45 3.20 -2.00 -1.88 116.97 120.58 1pwu h TYR 728 Ca 0.62 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.50 1pwu h TYR 728 Cb 1.30 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 1pwu h TYR 728 CO -0.18 0.50 0.36 0.78 -1.64 0.00 0.00 178.16 177.98 1pwu h GLY 729 N 0.68 0.00 -1.55 1.82 0.00 -0.58 -0.16 103.07 103.27 1pwu h GLY 729 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1pwu h GLY 729 CO -0.03 0.00 0.02 -2.13 0.00 0.00 0.00 176.54 174.40 1pwu n ARG 730 N -3.10 1.19 -0.07 4.80 0.63 -0.71 -3.01 116.66 116.39 1pwu n ARG 730 Ca 0.00 -0.21 -0.21 0.00 -0.92 0.00 0.00 57.85 56.51 1pwu n ARG 730 Cb 0.44 -1.37 -0.12 0.00 0.45 0.00 0.00 32.46 31.86 1pwu n ARG 730 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1pwu h THR 731 N 0.19 0.98 -2.06 5.15 2.02 -1.20 -3.50 112.91 114.49 1pwu h THR 731 Ca 0.02 -2.24 0.17 0.00 0.77 0.00 0.00 66.41 65.12 1pwu h THR 731 Cb 0.81 2.43 -0.03 0.00 -1.74 0.00 0.00 68.15 69.62 1pwu h THR 731 CO 0.05 0.46 0.50 -0.46 0.37 0.00 0.00 175.52 176.44 1pwu n ASN 732 N -4.28 -1.02 0.00 4.18 0.23 -1.25 -5.04 115.26 108.07 1pwu n ASN 732 Ca -0.29 -1.42 0.00 0.00 -0.53 0.00 0.00 54.58 52.34 1pwu n ASN 732 Cb 0.73 1.64 0.00 0.00 -2.08 0.00 0.00 39.78 40.07 1pwu n ASN 732 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1pwu n GLU 733 N -0.56 0.00 -0.27 -3.83 -0.58 -1.26 -0.58 120.64 113.57 1pwu n GLU 733 Ca 0.01 0.43 0.07 0.00 -0.42 0.00 0.00 57.16 57.25 1pwu n GLU 733 Cb 0.40 -1.13 0.20 0.00 -0.57 0.00 0.00 31.44 30.34 1pwu n GLU 733 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pwu h ALA 734 N -1.85 0.97 -0.56 0.62 0.00 -1.97 0.16 119.26 116.64 1pwu h ALA 734 Ca 0.00 0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1pwu h ALA 734 Cb 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1pwu h ALA 734 CO 0.00 -0.41 0.28 0.93 0.00 0.00 0.00 179.25 180.05 1pwu h GLU 735 N 0.18 0.52 0.47 0.00 4.39 -1.85 0.10 114.58 118.40 1pwu h GLU 735 Ca 0.45 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.10 1pwu h GLU 735 Cb 0.83 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1pwu h GLU 735 CO -0.62 0.34 -0.23 0.35 -1.16 0.00 0.00 179.01 177.69 1pwu h PHE 736 N 0.53 -0.61 -0.71 4.33 3.57 0.18 -1.39 116.94 122.85 1pwu h PHE 736 Ca 0.25 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.87 1pwu h PHE 736 Cb 0.18 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 39.03 1pwu h PHE 736 CO -0.10 -0.37 0.25 0.35 -2.23 0.00 0.00 178.31 176.21 1pwu h PHE 737 N -0.64 0.43 -0.26 0.41 3.57 -0.64 -0.64 116.94 119.17 1pwu h PHE 737 Ca -0.06 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1pwu h PHE 737 Cb 0.50 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1pwu h PHE 737 CO -0.05 0.04 0.08 0.00 -2.23 0.00 0.00 178.31 176.16 1pwu h ALA 738 N 1.52 0.34 -0.52 2.41 0.00 -0.59 -0.05 119.26 122.36 1pwu h ALA 738 Ca 0.38 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1pwu h ALA 738 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1pwu h ALA 738 CO -0.40 -0.04 -0.04 0.93 0.00 0.00 0.00 179.25 179.70 1pwu h GLU 739 N 0.26 0.91 0.08 0.00 4.39 -0.76 -0.18 114.58 119.27 1pwu h GLU 739 Ca 0.08 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 1pwu h GLU 739 Cb 0.23 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1pwu h GLU 739 CO -0.00 0.93 -0.04 0.00 -1.16 0.00 0.00 179.01 178.74 1pwu h ALA 740 N 1.11 -0.10 -0.18 3.43 0.00 -1.05 -2.10 119.26 120.37 1pwu h ALA 740 Ca 0.15 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1pwu h ALA 740 Cb 0.56 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1pwu h ALA 740 CO 0.03 -0.46 -0.40 0.35 0.00 0.00 0.00 179.25 178.77 1pwu h PHE 741 N -0.30 -1.15 -0.38 0.00 3.57 -0.77 -1.25 116.94 116.65 1pwu h PHE 741 Ca -0.01 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1pwu h PHE 741 Cb 0.26 0.53 -0.09 0.00 2.79 0.00 0.00 35.95 39.44 1pwu h PHE 741 CO -0.01 -0.46 -0.28 -0.09 -2.23 0.00 0.00 178.31 175.25 1pwu h ARG 742 N -0.45 -0.21 -0.86 1.11 2.43 -0.95 -1.57 114.38 113.89 1pwu h ARG 742 Ca 0.09 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 1pwu h ARG 742 Cb 0.61 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.14 1pwu h ARG 742 CO -0.42 -0.14 0.54 -0.07 -1.51 0.00 0.00 179.97 178.37 1pwu h LEU 743 N -0.21 0.85 0.00 3.80 3.38 -0.95 -0.33 115.31 121.84 1pwu h LEU 743 Ca 0.18 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1pwu h LEU 743 Cb 0.50 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1pwu h LEU 743 CO -0.51 0.54 0.00 0.23 0.09 0.00 0.00 178.44 178.80 1pwu n MET 744 N -4.61 0.21 -0.02 1.13 2.81 -0.51 -2.06 117.12 114.06 1pwu n MET 744 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 1pwu n MET 744 Cb 0.17 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1pwu n MET 744 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1pwu n HIS 745 N -0.92 0.00 -0.46 2.03 8.25 -0.18 -4.93 115.22 119.02 1pwu n HIS 745 Ca 0.04 -0.07 -0.30 0.00 -0.26 0.00 0.00 57.72 57.13 1pwu n HIS 745 Cb 0.02 -0.01 0.28 0.00 1.12 0.00 0.00 29.99 31.40 1pwu n HIS 745 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1pwu s SER 746 N -0.17 -0.63 0.15 0.41 1.04 -0.87 -4.80 113.70 108.82 1pwu s SER 746 Ca 0.00 0.94 0.20 0.00 0.48 0.00 0.00 55.95 57.57 1pwu s SER 746 Cb 0.00 -1.35 -0.06 0.00 0.10 0.00 0.00 66.02 64.71 1pwu s SER 746 CO 0.00 -5.11 0.95 0.41 0.98 0.00 0.00 173.24 170.47 1pwu n THR 747 N -5.47 0.82 -2.95 2.02 -1.04 -1.26 -4.59 114.28 101.80 1pwu n THR 747 Ca 0.11 -0.60 -0.44 0.00 -2.04 0.00 0.00 64.05 61.08 1pwu n THR 747 Cb 0.59 -0.48 -0.04 0.00 -1.82 0.00 0.00 70.33 68.59 1pwu n THR 747 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1pwu s ASP 748 N -5.49 6.28 0.57 8.00 2.15 -1.26 -4.90 116.67 122.02 1pwu s ASP 748 Ca -0.02 -1.36 0.32 0.00 0.43 0.00 0.00 52.55 51.93 1pwu s ASP 748 Cb 0.09 -2.38 1.43 0.00 -0.30 0.00 0.00 42.92 41.77 1pwu s ASP 748 CO 0.80 -1.26 1.78 0.45 -0.17 0.00 0.00 175.17 176.77 1pwu h HIS 749 N 9.28 0.00 -0.76 -5.34 3.86 -1.96 0.13 115.15 120.37 1pwu h HIS 749 Ca -0.19 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.04 1pwu h HIS 749 Cb 1.07 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.49 1pwu h HIS 749 CO 0.97 0.00 0.49 0.00 0.86 0.00 0.00 177.93 180.25 1pwu h ALA 750 N 1.31 0.98 0.00 2.45 0.00 -1.97 0.18 119.26 122.21 1pwu h ALA 750 Ca 0.41 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1pwu h ALA 750 Cb 1.90 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1pwu h ALA 750 CO -0.00 0.32 -0.00 0.93 0.00 0.00 0.00 179.25 180.49 1pwu h GLU 751 N 0.97 0.00 -0.05 0.00 5.08 -1.06 -0.91 114.58 118.61 1pwu h GLU 751 Ca 0.29 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1pwu h GLU 751 Cb -0.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.22 1pwu h GLU 751 CO -0.09 0.00 -0.54 0.00 -1.00 0.00 0.00 179.01 177.38 1pwu h ARG 752 N 0.00 0.45 -0.75 2.33 3.08 -1.01 -3.21 114.38 115.27 1pwu h ARG 752 Ca -0.00 -0.42 -0.04 0.00 0.07 0.00 0.00 59.98 59.60 1pwu h ARG 752 Cb 0.18 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1pwu h ARG 752 CO 0.00 1.07 0.33 -0.07 -1.07 0.00 0.00 179.97 180.22 1pwu h LEU 753 N -0.02 1.00 -0.90 3.04 -0.00 -0.77 -3.08 115.31 114.58 1pwu h LEU 753 Ca -0.05 -0.13 0.18 0.00 -0.00 0.00 0.00 57.88 57.87 1pwu h LEU 753 Cb 1.22 -0.26 -0.17 0.00 -0.00 0.00 0.00 40.66 41.45 1pwu h LEU 753 CO 0.11 0.87 -0.22 0.11 -0.00 0.00 0.00 178.44 179.31 1pwu h LYS 754 N 1.08 0.00 -0.08 1.13 1.57 -1.28 1.29 116.57 120.28 1pwu h LYS 754 Ca 0.25 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.92 1pwu h LYS 754 Cb 0.16 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1pwu h LYS 754 CO -0.03 0.00 -0.49 0.28 -0.57 0.00 0.00 179.45 178.65 1pwu h VAL 755 N 0.00 1.34 0.44 0.50 2.07 -1.65 -1.30 116.25 117.66 1pwu h VAL 755 Ca 0.43 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1pwu h VAL 755 Cb 0.66 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1pwu h VAL 755 CO -0.93 0.50 -0.32 -0.61 0.02 0.00 0.00 177.57 176.23 1pwu h GLN 756 N 0.16 -0.73 -0.21 1.57 5.75 0.15 0.58 115.11 122.39 1pwu h GLN 756 Ca 0.01 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1pwu h GLN 756 Cb 0.92 0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.64 1pwu h GLN 756 CO 0.07 -0.49 0.00 0.36 -2.65 0.00 0.00 178.83 176.13 1pwu n LYS 757 N -5.45 1.75 0.00 1.69 2.85 0.59 -3.72 118.16 115.86 1pwu n LYS 757 Ca -0.11 -1.13 0.00 0.00 -1.05 0.00 0.00 58.31 56.02 1pwu n LYS 757 Cb 0.35 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 1pwu n LYS 757 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1pwu n ASN 758 N 0.37 1.74 -2.78 -5.58 4.13 -0.49 -4.88 115.26 107.76 1pwu n ASN 758 Ca 0.15 -0.05 -0.11 0.00 1.68 0.00 0.00 54.58 56.25 1pwu n ASN 758 Cb 0.32 0.44 0.02 0.00 -1.54 0.00 0.00 39.78 39.02 1pwu n ASN 758 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pwu n ALA 759 N -0.62 3.02 -0.12 5.41 0.00 0.20 -4.74 120.51 123.67 1pwu n ALA 759 Ca 0.00 -3.14 -0.07 0.00 0.00 0.00 0.00 53.44 50.23 1pwu n ALA 759 Cb 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 1pwu n ALA 759 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pwu h PRO 760 N 2.98 -0.21 -0.38 0.00 0.11 -1.63 0.26 132.00 133.13 1pwu h PRO 760 Ca -0.06 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.15 1pwu h PRO 760 Cb 1.13 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 1pwu h PRO 760 CO 0.48 -0.14 -0.22 0.87 -0.21 0.00 0.00 178.00 178.79 1pwu h LYS 761 N -0.22 -0.15 -0.23 1.05 1.57 -1.92 -1.90 116.57 114.76 1pwu h LYS 761 Ca 0.18 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1pwu h LYS 761 Cb 0.51 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1pwu h LYS 761 CO -0.52 -0.10 0.13 1.15 -0.57 0.00 0.00 179.45 179.54 1pwu h THR 762 N -0.16 1.11 -0.65 -0.16 2.02 -1.82 -1.86 112.91 111.39 1pwu h THR 762 Ca 0.19 -0.29 0.12 0.00 0.77 0.00 0.00 66.41 67.20 1pwu h THR 762 Cb 0.45 0.88 -0.12 0.00 -1.74 0.00 0.00 68.15 67.61 1pwu h THR 762 CO -0.47 0.11 -0.29 0.15 0.37 0.00 0.00 175.52 175.39 1pwu h PHE 763 N 0.27 -0.76 0.07 3.16 3.57 -0.22 0.10 116.94 123.14 1pwu h PHE 763 Ca 0.08 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1pwu h PHE 763 Cb 0.06 0.43 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1pwu h PHE 763 CO -0.04 -0.36 -0.03 1.96 -2.23 0.00 0.00 178.31 177.61 1pwu h GLN 764 N -0.11 -0.09 -0.95 1.11 1.08 -1.24 -1.34 115.11 113.57 1pwu h GLN 764 Ca 0.27 0.01 0.23 0.00 -1.45 0.00 0.00 58.65 57.71 1pwu h GLN 764 Cb 0.55 0.02 -0.12 0.00 -0.05 0.00 0.00 27.48 27.87 1pwu h GLN 764 CO -0.71 0.14 0.51 0.35 -0.95 0.00 0.00 178.83 178.17 1pwu h PHE 765 N -0.31 0.86 -0.08 2.96 3.57 -0.43 0.36 116.94 123.86 1pwu h PHE 765 Ca -0.01 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1pwu h PHE 765 Cb 0.27 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1pwu h PHE 765 CO -0.00 0.03 -0.20 0.82 -2.23 0.00 0.00 178.31 176.74 1pwu h ILE 766 N 0.52 1.41 0.00 1.41 2.04 -0.66 -2.05 117.51 120.17 1pwu h ILE 766 Ca 0.60 -1.52 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 1pwu h ILE 766 Cb 1.12 2.20 -0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1pwu h ILE 766 CO -0.49 0.43 -0.11 0.78 0.00 0.00 0.00 178.15 178.76 1pwu h ASN 767 N -0.20 0.00 0.26 1.72 2.35 -0.05 -0.09 115.58 119.58 1pwu h ASN 767 Ca -0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 1pwu h ASN 767 Cb 0.80 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.18 1pwu h ASN 767 CO 0.04 0.11 -1.08 0.44 -1.65 0.00 0.00 177.43 175.30 1pwu h ASP 768 N 0.00 0.67 -0.76 5.81 3.32 -0.31 -3.06 116.42 122.09 1pwu h ASP 768 Ca -0.00 -0.58 -0.04 0.00 0.02 0.00 0.00 57.03 56.43 1pwu h ASP 768 Cb 0.41 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 1pwu h ASP 768 CO 0.01 1.40 0.33 1.56 -1.72 0.00 0.00 179.24 180.82 1pwu h GLN 769 N 0.25 1.13 -0.20 3.56 7.50 -0.46 0.55 115.11 127.44 1pwu h GLN 769 Ca -0.12 -0.19 -0.09 0.00 0.50 0.00 0.00 58.65 58.76 1pwu h GLN 769 Cb 1.74 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 29.06 1pwu h GLN 769 CO 0.20 0.90 -0.25 0.82 -1.50 0.00 0.00 178.83 178.99 1pwu h ILE 770 N 1.11 1.26 0.00 2.54 2.04 -1.08 -2.98 117.51 120.40 1pwu h ILE 770 Ca 0.26 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 1pwu h ILE 770 Cb 0.17 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1pwu h ILE 770 CO -0.03 0.38 -0.00 0.11 0.00 0.00 0.00 178.15 178.61 1pwu h LYS 771 N 0.33 -0.00 0.00 2.37 1.57 -1.35 -1.40 116.57 118.09 1pwu h LYS 771 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1pwu h LYS 771 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1pwu h LYS 771 CO 0.05 0.75 0.04 0.34 -0.57 0.00 0.00 179.45 180.05 1pwu n PHE 772 N -4.73 0.00 -0.03 -1.35 7.35 0.15 -1.04 117.46 117.81 1pwu n PHE 772 Ca -0.09 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.55 1pwu n PHE 772 Cb 0.37 -0.12 -0.02 0.00 0.35 0.00 0.00 39.48 40.06 1pwu n PHE 772 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1pwu n ILE 773 N -1.04 0.29 0.06 -2.13 5.41 -1.14 -4.19 119.36 116.64 1pwu n ILE 773 Ca 0.00 -0.09 -0.11 0.00 1.00 0.00 0.00 62.75 63.55 1pwu n ILE 773 Cb 0.04 -1.27 -0.05 0.00 -0.71 0.00 0.00 39.64 37.65 1pwu n ILE 773 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1pwu h ILE 774 N -0.13 0.43 -0.07 1.39 1.08 -0.09 -2.93 117.51 117.20 1pwu h ILE 774 Ca -0.13 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.20 1pwu h ILE 774 Cb 1.14 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1pwu h ILE 774 CO -0.06 0.00 -0.61 0.78 -0.69 0.00 0.00 178.15 177.57 1pwu h ASN 775 N -0.39 0.27 -0.01 1.72 2.35 -1.35 -3.51 115.58 114.67 1pwu h ASN 775 Ca 0.06 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1pwu h ASN 775 Cb 0.47 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1pwu h ASN 775 CO -0.22 0.81 0.00 -1.20 -1.65 0.00 0.00 177.43 175.17