#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwu n GLU 34 N 0.00 0.00 -0.05 3.49 2.13 -1.26 0.24 120.64 125.19 1pwu n GLU 34 Ca 0.00 0.00 0.19 0.00 0.66 0.00 0.00 57.16 58.01 1pwu n GLU 34 Cb 0.00 -0.24 0.29 0.00 0.27 0.00 0.00 31.44 31.75 1pwu n GLU 34 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1pwu n HIS 35 N 0.00 0.00 -0.22 4.31 -0.00 -1.26 0.52 115.22 118.57 1pwu n HIS 35 Ca 0.00 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.13 1pwu n HIS 35 Cb 0.00 -0.17 0.12 0.00 -0.12 0.00 0.00 29.99 29.82 1pwu n HIS 35 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1pwu h LEU 36 N 0.00 0.96 -0.38 0.27 3.38 -1.92 1.30 115.31 118.93 1pwu h LEU 36 Ca 0.33 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 1pwu h LEU 36 Cb 2.54 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 43.04 1pwu h LEU 36 CO -0.00 0.89 -0.61 0.50 0.09 0.00 0.00 178.44 179.31 1pwu h LYS 37 N 1.00 0.68 -0.52 1.13 3.64 1.71 0.16 116.57 124.38 1pwu h LYS 37 Ca 0.22 -0.46 -0.08 0.00 -1.27 0.00 0.00 60.65 59.06 1pwu h LYS 37 Cb 0.26 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1pwu h LYS 37 CO -0.01 1.09 0.03 1.49 -2.27 0.00 0.00 179.45 179.78 1pwu h GLU 38 N 0.51 0.90 -0.35 1.90 4.22 -0.56 2.20 114.58 123.40 1pwu h GLU 38 Ca -0.00 -0.27 -0.00 0.00 0.08 0.00 0.00 59.36 59.16 1pwu h GLU 38 Cb 1.19 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1pwu h GLU 38 CO 0.12 0.91 0.21 0.82 -2.18 0.00 0.00 179.01 178.89 1pwu h ILE 39 N 0.78 1.13 -0.00 2.32 2.04 0.18 0.70 117.51 124.65 1pwu h ILE 39 Ca 0.15 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1pwu h ILE 39 Cb 0.48 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1pwu h ILE 39 CO 0.02 0.13 -0.04 0.23 0.00 0.00 0.00 178.15 178.49 1pwu n MET 40 N -4.79 0.41 -0.00 2.37 2.81 0.56 -0.69 117.12 117.79 1pwu n MET 40 Ca -0.01 -0.05 0.09 0.00 -1.81 0.00 0.00 57.70 55.92 1pwu n MET 40 Cb 0.06 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 30.96 1pwu n MET 40 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1pwu n LYS 41 N -1.25 0.84 -0.05 0.03 3.00 0.74 -2.98 118.16 118.48 1pwu n LYS 41 Ca 0.13 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.31 58.34 1pwu n LYS 41 Cb 0.27 -1.39 -0.08 0.00 0.00 0.00 0.00 35.03 33.83 1pwu n LYS 41 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1pwu n HIS 42 N -1.61 0.00 -0.04 5.64 -0.00 0.23 -4.76 115.22 114.68 1pwu n HIS 42 Ca 0.02 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.17 1pwu n HIS 42 Cb 0.34 -0.53 -0.07 0.00 -0.12 0.00 0.00 29.99 29.61 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 -2.44 0.55 -3.01 3.57 -5.35 0.14 -4.88 119.36 107.93 1pwu n ILE 43 Ca -0.18 -0.37 -0.44 0.00 -0.27 0.00 0.00 62.75 61.48 1pwu n ILE 43 Cb 0.84 -0.60 -0.03 0.00 -1.74 0.00 0.00 39.64 38.11 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 -2.30 4.75 -0.29 7.28 1.01 -1.16 0.13 120.40 129.82 1pwu s VAL 44 Ca -0.04 -1.17 -0.13 0.00 0.00 0.00 0.00 61.98 60.63 1pwu s VAL 44 Cb 0.03 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1pwu s VAL 44 CO 0.39 -1.32 0.30 -0.54 0.00 0.00 0.00 175.10 173.93 1pwu s LYS 45 N 2.78 3.89 -1.27 2.72 1.02 0.71 -4.53 119.74 125.06 1pwu s LYS 45 Ca 0.21 -0.20 -0.15 0.00 0.02 0.00 0.00 55.97 55.86 1pwu s LYS 45 Cb -0.15 -3.69 0.12 0.00 -0.52 0.00 0.00 37.83 33.60 1pwu s LYS 45 CO 0.01 -0.29 1.64 -0.89 -0.92 0.00 0.00 175.35 174.89 1pwu n ILE 46 N 5.12 4.10 1.98 2.17 5.41 -1.26 -1.70 119.36 135.17 1pwu n ILE 46 Ca -0.11 -4.36 0.05 0.00 1.00 0.00 0.00 62.75 59.33 1pwu n ILE 46 Cb 0.51 -2.42 0.27 0.00 -0.71 0.00 0.00 39.64 37.29 1pwu n ILE 46 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1pwu n GLU 47 N 6.59 1.02 -1.92 0.38 1.02 -0.60 -4.76 120.64 122.38 1pwu n GLU 47 Ca 0.43 -0.03 -0.41 0.00 -0.02 0.00 0.00 57.16 57.12 1pwu n GLU 47 Cb 0.43 -1.15 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 1pwu n GLU 47 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pwu s VAL 48 N -1.99 2.42 -0.11 2.62 1.01 -0.52 -4.74 120.40 119.08 1pwu s VAL 48 Ca 0.14 0.35 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 1pwu s VAL 48 Cb 0.07 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 1pwu s VAL 48 CO 0.11 0.06 -0.14 0.29 0.00 0.00 0.00 175.10 175.41 1pwu n LYS 49 N 2.30 0.35 -1.54 2.72 4.01 -1.26 -4.80 118.16 119.94 1pwu n LYS 49 Ca 0.07 0.45 -0.26 0.00 -0.51 0.00 0.00 58.31 58.07 1pwu n LYS 49 Cb 0.39 -1.47 -0.10 0.00 -0.51 0.00 0.00 35.03 33.35 1pwu n LYS 49 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1pwu n GLY 50 N 1.64 -0.15 2.17 0.72 0.00 -1.26 -4.36 105.19 103.94 1pwu n GLY 50 Ca -0.06 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 8.28 -0.81 -2.72 1.61 0.00 -1.26 -4.83 120.64 120.90 1pwu n GLU 51 Ca 0.50 0.78 -0.43 0.00 0.00 0.00 0.00 57.16 58.00 1pwu n GLU 51 Cb 0.36 -0.57 0.00 0.00 0.00 0.00 0.00 31.44 31.23 1pwu n GLU 51 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1pwu n GLU 52 N 2.10 3.37 0.00 5.31 0.00 -1.26 -4.70 120.64 125.46 1pwu n GLU 52 Ca 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 57.16 53.52 1pwu n GLU 52 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 31.44 28.34 1pwu n GLU 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pwu n ALA 53 N 5.77 0.52 0.44 -1.84 0.00 -1.26 -4.54 120.51 119.60 1pwu n ALA 53 Ca 0.40 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.96 1pwu n ALA 53 Cb 0.42 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.12 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 0.00 0.00 -0.32 0.00 2.07 -1.99 -3.05 116.25 112.96 1pwu h VAL 54 Ca 0.00 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1pwu h VAL 54 Cb 0.00 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1pwu h VAL 54 CO 0.00 0.00 -0.05 0.11 0.02 0.00 0.00 177.57 177.65 1pwu h LYS 55 N 0.00 0.52 0.48 1.57 1.57 -1.86 0.59 116.57 119.44 1pwu h LYS 55 Ca 0.00 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1pwu h LYS 55 Cb 0.85 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1pwu h LYS 55 CO 0.00 0.59 -0.23 -0.22 -0.57 0.00 0.00 179.45 179.02 1pwu h LYS 56 N 0.49 -0.62 0.00 3.15 3.64 -1.77 -3.01 116.57 118.45 1pwu h LYS 56 Ca 0.10 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1pwu h LYS 56 Cb 0.40 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1pwu h LYS 56 CO 0.02 -0.41 0.00 1.49 -2.27 0.00 0.00 179.45 178.27 1pwu h GLU 57 N -1.08 0.00 0.00 1.90 4.81 -1.47 -2.39 114.58 116.34 1pwu h GLU 57 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1pwu h GLU 57 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1pwu h GLU 57 CO 0.11 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.39 1pwu n ALA 58 N -1.94 -0.06 -0.15 2.92 0.00 0.21 -1.74 120.51 119.75 1pwu n ALA 58 Ca -0.02 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.59 1pwu n ALA 58 Cb 0.06 0.07 0.54 0.00 0.00 0.00 0.00 19.45 20.13 1pwu n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pwu h ALA 59 N -1.96 2.21 -0.69 0.00 0.00 -1.56 -0.27 119.26 116.99 1pwu h ALA 59 Ca 0.00 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.07 1pwu h ALA 59 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1pwu h ALA 59 CO 0.00 -0.42 0.48 1.49 0.00 0.00 0.00 179.25 180.80 1pwu h GLU 60 N 0.34 0.21 0.00 0.00 4.81 -1.24 0.50 114.58 119.20 1pwu h GLU 60 Ca 0.37 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.52 1pwu h GLU 60 Cb 0.95 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1pwu h GLU 60 CO -0.10 0.14 -0.61 -0.22 -0.73 0.00 0.00 179.01 177.49 1pwu h LYS 61 N 0.22 0.00 0.28 1.92 1.63 -0.18 -2.98 116.57 117.47 1pwu h LYS 61 Ca 0.34 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.12 1pwu h LYS 61 Cb 1.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 1pwu h LYS 61 CO -0.07 0.21 -0.14 1.25 -3.45 0.00 0.00 179.45 177.26 1pwu h LEU 62 N 0.00 -0.32 -1.71 5.20 5.85 0.03 -3.30 115.31 121.05 1pwu h LEU 62 Ca -0.03 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1pwu h LEU 62 Cb 1.23 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 1pwu h LEU 62 CO 0.03 -0.03 0.28 -0.07 -0.34 0.00 0.00 178.44 178.31 1pwu h LEU 63 N -0.78 0.31 -1.42 2.25 3.38 -1.19 -2.40 115.31 115.46 1pwu h LEU 63 Ca -0.04 -0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.16 1pwu h LEU 63 Cb 0.29 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1pwu h LEU 63 CO 0.06 0.21 0.91 -0.08 0.09 0.00 0.00 178.44 179.64 1pwu h GLU 64 N 0.36 0.00 -0.01 1.13 4.81 -1.60 0.28 114.58 119.56 1pwu h GLU 64 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1pwu h GLU 64 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1pwu h GLU 64 CO -0.04 0.00 -0.14 1.63 -0.73 0.00 0.00 179.01 179.72 1pwu n LYS 65 N -3.41 1.00 -3.34 1.92 5.02 -0.90 -4.83 118.16 113.61 1pwu n LYS 65 Ca 0.17 -0.51 -0.36 0.00 -2.02 0.00 0.00 58.31 55.59 1pwu n LYS 65 Cb 1.17 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.63 1pwu n LYS 65 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1pwu s VAL 66 N -2.35 4.84 0.24 -0.18 1.01 1.00 -4.95 120.40 120.00 1pwu s VAL 66 Ca 0.30 0.92 -0.31 0.00 0.00 0.00 0.00 61.98 62.88 1pwu s VAL 66 Cb 0.20 -3.77 -0.12 0.00 0.00 0.00 0.00 36.38 32.69 1pwu s VAL 66 CO 0.46 0.33 1.68 -2.65 0.00 0.00 0.00 175.10 174.91 1pwu n PRO 67 N 1.05 2.75 -0.26 2.72 -0.02 -1.26 -4.84 135.00 135.14 1pwu n PRO 67 Ca -0.07 0.99 -0.01 0.00 -2.02 0.00 0.00 63.50 62.39 1pwu n PRO 67 Cb 0.52 -2.81 0.06 0.00 -0.02 0.00 0.00 33.50 31.24 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 6.04 -0.94 -0.53 2.55 0.87 -1.93 0.23 113.55 119.84 1pwu h SER 68 Ca -0.45 0.24 0.15 0.00 -1.23 0.00 0.00 61.79 60.51 1pwu h SER 68 Cb 1.21 0.54 -0.02 0.00 -0.44 0.00 0.00 62.40 63.69 1pwu h SER 68 CO 0.90 -0.28 0.59 0.44 -0.53 0.00 0.00 176.83 177.96 1pwu h ASP 69 N -0.05 0.00 -0.25 6.23 3.32 -1.96 0.28 116.42 123.98 1pwu h ASP 69 Ca 0.33 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.21 1pwu h ASP 69 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1pwu h ASP 69 CO -0.78 0.00 -0.50 0.58 -1.72 0.00 0.00 179.24 176.82 1pwu h VAL 70 N 0.00 1.29 -0.38 -1.35 2.07 -0.89 -1.75 116.25 115.24 1pwu h VAL 70 Ca 0.25 -1.70 -0.13 0.00 0.82 0.00 0.00 66.70 65.95 1pwu h VAL 70 Cb 1.44 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 1pwu h VAL 70 CO -0.00 0.54 -0.29 -0.07 0.02 0.00 0.00 177.57 177.77 1pwu h LEU 71 N 0.53 0.83 -0.74 2.57 3.38 -0.47 -2.20 115.31 119.22 1pwu h LEU 71 Ca 0.01 -0.33 -0.13 0.00 0.09 0.00 0.00 57.88 57.52 1pwu h LEU 71 Cb 1.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1pwu h LEU 71 CO 0.11 1.06 -0.45 -0.08 0.09 0.00 0.00 178.44 179.18 1pwu h GLU 72 N 0.69 0.42 -0.50 1.13 4.81 -1.32 -1.57 114.58 118.23 1pwu h GLU 72 Ca 0.08 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 1pwu h GLU 72 Cb 0.82 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1pwu h GLU 72 CO 0.07 0.79 -0.02 0.52 -0.73 0.00 0.00 179.01 179.64 1pwu h MET 73 N 0.34 0.85 -0.44 1.92 2.86 -1.17 -2.03 114.93 117.27 1pwu h MET 73 Ca 0.02 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1pwu h MET 73 Cb 0.92 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 1pwu h MET 73 CO 0.08 0.87 0.22 -0.92 1.06 0.00 0.00 176.91 178.22 1pwu h TYR 74 N 0.79 0.62 -0.81 -0.22 3.20 -0.95 -2.27 116.97 117.32 1pwu h TYR 74 Ca 0.15 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.02 1pwu h TYR 74 Cb 0.50 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 1pwu h TYR 74 CO 0.03 0.49 0.52 -0.22 -1.64 0.00 0.00 178.16 177.34 1pwu h LYS 75 N 0.57 1.00 0.00 1.82 3.64 -1.01 0.24 116.57 122.83 1pwu h LYS 75 Ca 0.15 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1pwu h LYS 75 Cb 0.10 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1pwu h LYS 75 CO -0.02 0.66 -0.00 0.00 -2.27 0.00 0.00 179.45 177.82 1pwu h ALA 76 N 1.33 1.85 -0.00 5.00 0.00 -0.83 -0.03 119.26 126.57 1pwu h ALA 76 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1pwu h ALA 76 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1pwu h ALA 76 CO -0.10 0.00 -0.23 -0.89 0.00 0.00 0.00 179.25 178.03 1pwu n ILE 77 N -4.32 0.00 -0.19 0.00 -0.00 -0.64 -4.91 119.36 109.31 1pwu n ILE 77 Ca -0.03 -0.08 0.00 0.00 -0.00 0.00 0.00 62.75 62.64 1pwu n ILE 77 Cb 0.09 0.15 0.00 0.00 -0.00 0.00 0.00 39.64 39.87 1pwu n ILE 77 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1pwu n GLY 78 N 1.35 0.90 3.70 7.39 0.00 -0.03 -4.75 105.19 113.76 1pwu n GLY 78 Ca 0.12 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1pwu n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwu n GLY 79 N -2.19 0.26 2.87 -0.02 0.00 0.75 -4.54 105.19 102.32 1pwu n GLY 79 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 1pwu n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwu s LYS 80 N -3.49 0.04 -0.23 1.61 -0.14 -0.78 -4.59 119.74 112.16 1pwu s LYS 80 Ca 0.79 0.31 -0.05 0.00 -1.36 0.00 0.00 55.97 55.66 1pwu s LYS 80 Cb -0.36 -0.21 -0.02 0.00 -1.68 0.00 0.00 37.83 35.56 1pwu s LYS 80 CO 0.44 -0.17 0.01 0.42 -0.76 0.00 0.00 175.35 175.29 1pwu s ILE 81 N 1.16 3.83 -0.21 2.17 1.01 0.34 0.11 121.20 129.61 1pwu s ILE 81 Ca -0.09 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 1pwu s ILE 81 Cb -0.12 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 1pwu s ILE 81 CO -0.05 0.39 -0.03 -0.31 0.00 0.00 0.00 174.94 174.94 1pwu s TYR 82 N 1.46 2.98 -0.38 3.97 1.51 0.12 -0.21 117.35 126.81 1pwu s TYR 82 Ca 0.05 -0.72 -0.11 0.00 -1.01 0.00 0.00 57.07 55.28 1pwu s TYR 82 Cb -0.15 -2.09 0.03 0.00 -0.11 0.00 0.00 41.96 39.65 1pwu s TYR 82 CO 0.00 -0.41 0.20 0.42 -1.11 0.00 0.00 175.55 174.66 1pwu s ILE 83 N 1.24 4.51 0.06 2.71 -1.09 -0.69 -0.89 121.20 127.06 1pwu s ILE 83 Ca 0.03 -0.91 -0.16 0.00 -2.23 0.00 0.00 60.65 57.38 1pwu s ILE 83 Cb -0.14 -3.54 0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1pwu s ILE 83 CO -0.00 -0.25 0.38 0.54 -1.23 0.00 0.00 174.94 174.37 1pwu s VAL 84 N 1.54 0.07 0.19 2.92 0.11 -0.75 -1.44 120.40 123.04 1pwu s VAL 84 Ca 0.02 -0.56 -0.01 0.00 -2.93 0.00 0.00 61.98 58.50 1pwu s VAL 84 Cb -0.19 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.61 1pwu s VAL 84 CO 0.06 -0.31 0.39 1.51 -3.33 0.00 0.00 175.10 173.43 1pwu s ASP 85 N -2.18 6.40 0.00 3.54 1.47 -1.26 -1.83 116.67 122.80 1pwu s ASP 85 Ca -0.03 0.43 0.00 0.00 1.18 0.00 0.00 52.55 54.13 1pwu s ASP 85 Cb -0.00 -2.02 0.00 0.00 -0.34 0.00 0.00 42.92 40.56 1pwu s ASP 85 CO -0.05 -0.03 0.00 0.61 0.68 0.00 0.00 175.17 176.38 1pwu n GLY 86 N -0.55 0.58 3.68 2.12 0.00 -1.26 -4.94 105.19 104.82 1pwu n GLY 86 Ca -0.04 -2.17 -0.45 0.00 0.00 0.00 0.00 46.02 43.36 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 0.00 3.67 -0.24 1.61 4.64 -1.26 -4.83 116.55 120.13 1pwu n ASP 87 Ca 0.00 1.00 0.26 0.00 -1.38 0.00 0.00 54.79 54.67 1pwu n ASP 87 Cb 0.00 -1.47 0.63 0.00 -1.04 0.00 0.00 41.12 39.23 1pwu n ASP 87 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1pwu h ILE 88 N 4.64 0.56 0.00 5.18 2.04 -1.82 0.65 117.51 128.77 1pwu h ILE 88 Ca -0.47 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1pwu h ILE 88 Cb 1.24 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1pwu h ILE 88 CO 0.93 0.04 0.00 0.74 0.00 0.00 0.00 178.15 179.86 1pwu h THR 89 N 0.19 0.00 0.00 -0.27 2.02 -1.88 -2.40 112.91 110.58 1pwu h THR 89 Ca 0.49 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.38 1pwu h THR 89 Cb 1.59 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1pwu h THR 89 CO -0.11 0.00 0.00 1.17 0.37 0.00 0.00 175.52 176.95 1pwu n LYS 90 N -2.64 0.15 -3.34 6.66 3.00 0.23 -3.91 118.16 118.30 1pwu n LYS 90 Ca 0.01 0.01 -0.38 0.00 -0.00 0.00 0.00 58.31 57.95 1pwu n LYS 90 Cb 0.22 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 33.69 1pwu n LYS 90 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1pwu s HIS 91 N -2.03 3.71 0.32 5.64 2.46 -0.90 -4.98 115.29 119.50 1pwu s HIS 91 Ca 0.07 1.11 0.05 0.00 0.47 0.00 0.00 55.06 56.76 1pwu s HIS 91 Cb 0.03 -2.46 0.84 0.00 -0.13 0.00 0.00 32.58 30.87 1pwu s HIS 91 CO 0.06 0.50 1.58 0.82 -2.47 0.00 0.00 174.74 175.22 1pwu h ILE 92 N 3.89 0.03 -0.98 0.89 2.04 -1.91 -2.11 117.51 119.36 1pwu h ILE 92 Ca -0.48 -0.01 -0.55 0.00 1.00 0.00 0.00 64.86 64.82 1pwu h ILE 92 Cb 1.21 0.01 -0.30 0.00 -0.74 0.00 0.00 36.82 37.00 1pwu h ILE 92 CO 0.66 0.00 0.69 -0.24 0.00 0.00 0.00 178.15 179.26 1pwu n SER 93 N -5.45 4.74 0.00 1.72 2.88 -1.26 -4.56 113.62 111.70 1pwu n SER 93 Ca 0.25 -3.66 0.00 0.00 -1.33 0.00 0.00 58.87 54.13 1pwu n SER 93 Cb 0.84 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 1pwu n SER 93 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1pwu n LEU 94 N -1.09 1.51 -0.30 2.46 7.94 -0.79 -4.83 117.00 121.89 1pwu n LEU 94 Ca 0.60 0.00 0.27 0.00 -1.11 0.00 0.00 56.01 55.77 1pwu n LEU 94 Cb 1.40 0.00 0.47 0.00 0.53 0.00 0.00 43.42 45.82 1pwu n LEU 94 CO 0.65 0.25 0.85 -0.62 -1.11 0.00 0.00 177.39 177.41 1pwu n GLU 95 N -1.99 -0.03 -2.03 1.96 -0.58 -1.25 -4.26 120.64 112.46 1pwu n GLU 95 Ca 0.00 0.95 -0.43 0.00 -0.42 0.00 0.00 57.16 57.26 1pwu n GLU 95 Cb 0.28 -1.80 -0.03 0.00 -0.57 0.00 0.00 31.44 29.32 1pwu n GLU 95 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pwu s ALA 96 N -4.91 3.32 -0.06 0.62 0.00 -1.26 -4.97 121.76 114.50 1pwu s ALA 96 Ca -0.06 0.64 -0.24 0.00 0.00 0.00 0.00 51.96 52.30 1pwu s ALA 96 Cb 0.23 -3.84 0.05 0.00 0.00 0.00 0.00 23.12 19.56 1pwu s ALA 96 CO 0.59 -1.87 0.54 -0.51 0.00 0.00 0.00 175.76 174.51 1pwu s LEU 97 N 5.14 -0.09 0.15 0.00 1.43 -1.26 -5.12 118.68 118.93 1pwu s LEU 97 Ca 0.75 0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 54.12 1pwu s LEU 97 Cb -0.28 2.03 -0.07 0.00 0.03 0.00 0.00 46.19 47.90 1pwu s LEU 97 CO 0.30 -0.50 1.01 -0.94 0.23 0.00 0.00 176.35 176.45 1pwu s SER 98 N -1.03 7.43 0.29 2.29 1.04 -1.26 -4.94 113.70 117.52 1pwu s SER 98 Ca -0.10 1.92 0.04 0.00 0.48 0.00 0.00 55.95 58.28 1pwu s SER 98 Cb -0.02 -2.60 0.69 0.00 0.10 0.00 0.00 66.02 64.19 1pwu s SER 98 CO 0.07 -0.10 1.75 -0.33 0.98 0.00 0.00 173.24 175.61 1pwu h GLU 99 N 5.28 0.63 0.00 4.02 4.39 -2.00 0.16 114.58 127.06 1pwu h GLU 99 Ca -0.44 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.19 1pwu h GLU 99 Cb 1.21 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1pwu h GLU 99 CO 0.72 0.42 -0.15 -0.44 -1.16 0.00 0.00 179.01 178.39 1pwu h ASP 100 N 0.65 0.00 1.26 1.42 3.32 -1.94 0.36 116.42 121.48 1pwu h ASP 100 Ca 0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.60 1pwu h ASP 100 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1pwu h ASP 100 CO -0.41 0.15 0.00 0.07 -1.72 0.00 0.00 179.24 177.33 1pwu h LYS 101 N 0.00 0.00 0.00 3.56 2.10 -1.07 -0.97 116.57 120.19 1pwu h LYS 101 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pwu h LYS 101 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1pwu h LYS 101 CO 0.02 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.10 1pwu n LYS 102 N -2.83 0.73 -4.94 0.07 5.02 0.11 -4.54 118.16 111.79 1pwu n LYS 102 Ca 0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.99 1pwu n LYS 102 Cb 0.36 -1.34 -0.13 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.00 2.44 0.34 1.97 2.36 -0.37 -3.67 119.74 120.81 1pwu s LYS 103 Ca 0.24 -0.73 0.04 0.00 -2.55 0.00 0.00 55.97 52.96 1pwu s LYS 103 Cb 0.11 -2.33 -0.03 0.00 -1.05 0.00 0.00 37.83 34.52 1pwu s LYS 103 CO 0.18 0.61 0.16 0.42 1.55 0.00 0.00 175.35 178.28 1pwu s ILE 104 N -0.72 0.41 -0.07 5.43 1.01 0.63 -4.94 121.20 122.95 1pwu s ILE 104 Ca 0.11 -2.00 -0.03 0.00 0.00 0.00 0.00 60.65 58.74 1pwu s ILE 104 Cb -0.11 -2.48 0.04 0.00 0.01 0.00 0.00 42.46 39.93 1pwu s ILE 104 CO 0.00 0.00 0.13 -0.54 0.00 0.00 0.00 174.94 174.53 1pwu s LYS 105 N -3.75 0.02 1.24 2.79 1.02 -1.26 -0.55 119.74 119.25 1pwu s LYS 105 Ca 0.33 0.46 -0.21 0.00 0.02 0.00 0.00 55.97 56.57 1pwu s LYS 105 Cb 0.04 -0.29 0.31 0.00 -0.52 0.00 0.00 37.83 37.37 1pwu s LYS 105 CO 0.18 -0.27 1.13 -0.40 -0.92 0.00 0.00 175.35 175.07 1pwu n ASP 106 N 4.99 -1.97 0.33 2.83 3.85 0.93 -4.71 116.55 122.79 1pwu n ASP 106 Ca -0.11 -1.20 0.14 0.00 -0.71 0.00 0.00 54.79 52.91 1pwu n ASP 106 Cb 0.50 -1.02 0.74 0.00 -1.35 0.00 0.00 41.12 39.99 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 -2.69 0.01 0.00 2.12 -0.00 -1.91 0.19 117.51 115.22 1pwu h ILE 107 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.44 1pwu h ILE 107 Cb 1.28 0.60 0.00 0.00 -0.00 0.00 0.00 36.82 38.70 1pwu h ILE 107 CO 0.28 0.00 -1.10 -1.22 -0.00 0.00 0.00 178.15 176.11 1pwu n TYR 108 N -2.88 0.00 0.00 2.19 4.02 -1.26 -4.98 117.16 114.26 1pwu n TYR 108 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1pwu n TYR 108 Cb 0.45 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 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 1.48 2.13 3.73 2.72 0.00 0.66 -5.07 105.19 110.84 1pwu n GLY 109 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.56 4.14 0.75 1.61 1.02 -1.26 -4.53 119.74 120.91 1pwu s LYS 110 Ca 0.00 2.55 -0.12 0.00 0.02 0.00 0.00 55.97 58.43 1pwu s LYS 110 Cb 0.00 -3.06 0.04 0.00 -0.52 0.00 0.00 37.83 34.29 1pwu s LYS 110 CO 0.00 -0.67 1.10 -0.51 -0.92 0.00 0.00 175.35 174.34 1pwu s ASP 111 N 0.85 4.62 0.22 2.83 1.01 -1.26 -0.05 116.67 124.89 1pwu s ASP 111 Ca 0.69 1.87 -0.22 0.00 0.71 0.00 0.00 52.55 55.60 1pwu s ASP 111 Cb -0.48 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 40.98 1pwu s ASP 111 CO 0.39 -1.96 0.92 0.00 0.21 0.00 0.00 175.17 174.73 1pwu s ALA 112 N -2.77 -1.41 -0.09 5.23 0.00 0.28 -4.80 121.76 118.20 1pwu s ALA 112 Ca 0.63 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.40 1pwu s ALA 112 Cb -0.18 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 1pwu s ALA 112 CO 0.53 -1.04 -0.19 -0.51 0.00 0.00 0.00 175.76 174.55 1pwu s LEU 113 N -3.08 2.43 0.21 0.00 1.43 -1.26 -0.27 118.68 118.13 1pwu s LEU 113 Ca 0.15 -0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 52.67 1pwu s LEU 113 Cb -0.03 -1.50 0.19 0.00 0.03 0.00 0.00 46.19 44.88 1pwu s LEU 113 CO 0.05 0.22 1.58 -0.07 0.23 0.00 0.00 176.35 178.37 1pwu h LEU 114 N 6.28 -1.12 -0.72 1.79 3.38 -1.89 -1.10 115.31 121.93 1pwu h LEU 114 Ca -0.30 0.25 0.09 0.00 0.09 0.00 0.00 57.88 58.01 1pwu h LEU 114 Cb 1.20 0.59 -0.11 0.00 0.09 0.00 0.00 40.66 42.43 1pwu h LEU 114 CO 0.51 -0.29 -0.49 0.45 0.09 0.00 0.00 178.44 178.71 1pwu h HIS 115 N -0.10 -1.49 -0.01 1.13 3.86 -1.95 0.24 115.15 116.83 1pwu h HIS 115 Ca 0.29 0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 1pwu h HIS 115 Cb 0.56 0.75 0.00 0.00 1.06 0.00 0.00 27.41 29.78 1pwu h HIS 115 CO -0.68 -0.42 -0.02 -0.85 0.86 0.00 0.00 177.93 176.82 1pwu n GLU 116 N -5.37 1.56 -1.18 2.45 0.28 -0.70 -4.23 120.64 113.45 1pwu n GLU 116 Ca 0.02 -0.88 -0.30 0.00 -0.16 0.00 0.00 57.16 55.84 1pwu n GLU 116 Cb 0.33 -1.48 0.24 0.00 1.43 0.00 0.00 31.44 31.96 1pwu n GLU 116 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1pwu s HIS 117 N -2.05 0.51 -0.01 -1.84 2.46 0.07 -5.02 115.29 109.41 1pwu s HIS 117 Ca 0.37 0.44 0.01 0.00 0.47 0.00 0.00 55.06 56.35 1pwu s HIS 117 Cb 0.21 -3.54 -0.01 0.00 -0.13 0.00 0.00 32.58 29.10 1pwu s HIS 117 CO 0.35 -3.80 0.03 2.48 -2.47 0.00 0.00 174.74 171.33 1pwu n TYR 118 N -4.68 0.00 -3.81 3.88 4.11 -1.26 -4.66 117.16 110.74 1pwu n TYR 118 Ca 0.14 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.91 1pwu n TYR 118 Cb 0.60 -0.02 -0.12 0.00 -0.00 0.00 0.00 39.34 39.80 1pwu n TYR 118 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1pwu s VAL 119 N -1.81 0.00 -0.15 -3.48 0.11 -1.26 -0.27 120.40 113.55 1pwu s VAL 119 Ca -0.00 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.75 1pwu s VAL 119 Cb 0.01 -0.26 0.08 0.00 -1.53 0.00 0.00 36.38 34.67 1pwu s VAL 119 CO 0.04 -0.01 0.75 -0.47 -3.33 0.00 0.00 175.10 172.07 1pwu s TYR 120 N 0.06 -0.66 -0.13 1.54 5.04 -0.23 -5.02 117.35 117.95 1pwu s TYR 120 Ca -0.00 1.34 -0.01 0.00 -2.44 0.00 0.00 57.07 55.96 1pwu s TYR 120 Cb -0.01 0.37 0.03 0.00 0.35 0.00 0.00 41.96 42.69 1pwu s TYR 120 CO 0.00 -0.49 -0.05 0.00 -1.34 0.00 0.00 175.55 173.68 1pwu s ALA 121 N -0.58 1.27 -0.09 3.97 0.00 -1.26 -0.13 121.76 124.94 1pwu s ALA 121 Ca -0.06 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 1pwu s ALA 121 Cb -0.02 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1pwu s ALA 121 CO 0.05 -0.60 1.11 0.21 0.00 0.00 0.00 175.76 176.53 1pwu s LYS 122 N 1.73 4.37 0.00 0.00 2.20 -0.70 -4.97 119.74 122.38 1pwu s LYS 122 Ca 0.03 1.54 0.00 0.00 -0.36 0.00 0.00 55.97 57.18 1pwu s LYS 122 Cb -0.14 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1pwu s LYS 122 CO -0.08 -0.41 0.00 -1.91 -0.36 0.00 0.00 175.35 172.60 1pwu n GLU 123 N 5.22 0.00 -0.18 4.03 2.13 -1.26 -3.77 120.64 126.81 1pwu n GLU 123 Ca 0.10 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.95 1pwu n GLU 123 Cb 0.47 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.18 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 2.27 -0.69 2.76 8.31 0.00 -1.26 -4.08 105.19 112.49 1pwu n GLY 124 Ca 0.00 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1pwu n GLY 124 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pwu n TYR 125 N -1.56 3.02 -2.65 1.61 4.02 -1.26 -4.24 117.16 116.10 1pwu n TYR 125 Ca 0.00 -3.02 -0.03 0.00 -0.01 0.00 0.00 57.90 54.84 1pwu n TYR 125 Cb 0.08 -1.00 0.09 0.00 -0.02 0.00 0.00 39.34 38.50 1pwu n TYR 125 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1pwu n GLU 126 N 0.25 1.00 -1.13 -0.72 4.07 -1.26 -5.13 120.64 117.72 1pwu n GLU 126 Ca 0.38 -1.11 -0.44 0.00 -0.06 0.00 0.00 57.16 55.92 1pwu n GLU 126 Cb 0.32 0.21 -0.06 0.00 -0.06 0.00 0.00 31.44 31.84 1pwu n GLU 126 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1pwu n PRO 127 N -0.98 0.00 -3.74 5.31 -0.02 -1.26 -4.91 135.00 129.40 1pwu n PRO 127 Ca -0.12 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.23 1pwu n PRO 127 Cb 0.79 -1.05 -0.11 0.00 -0.02 0.00 0.00 33.50 33.10 1pwu n PRO 127 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1pwu s VAL 128 N 0.89 -0.01 -0.25 -1.45 -7.23 -1.25 -1.87 120.40 109.23 1pwu s VAL 128 Ca 0.68 0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.92 1pwu s VAL 128 Cb -0.96 -0.47 0.06 0.00 0.56 0.00 0.00 36.38 35.57 1pwu s VAL 128 CO 0.47 0.02 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.98 1pwu s LEU 129 N 0.68 3.02 -0.16 1.32 1.98 0.30 -1.72 118.68 124.10 1pwu s LEU 129 Ca -0.04 -1.28 -0.06 0.00 -2.89 0.00 0.00 54.13 49.86 1pwu s LEU 129 Cb -0.05 -1.38 -0.04 0.00 0.66 0.00 0.00 46.19 45.38 1pwu s LEU 129 CO -0.04 -0.21 0.03 -0.69 -1.89 0.00 0.00 176.35 173.55 1pwu s VAL 130 N 1.24 4.54 0.04 1.68 1.01 0.82 0.14 120.40 129.87 1pwu s VAL 130 Ca -0.07 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1pwu s VAL 130 Cb -0.19 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1pwu s VAL 130 CO -0.06 0.49 -0.12 -0.63 0.00 0.00 0.00 175.10 174.79 1pwu s ILE 131 N 0.15 0.89 -0.06 2.22 1.01 -0.07 -1.06 121.20 124.28 1pwu s ILE 131 Ca 0.03 -1.00 -0.26 0.00 0.00 0.00 0.00 60.65 59.42 1pwu s ILE 131 Cb -0.13 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 1pwu s ILE 131 CO 0.01 -0.13 0.83 -1.10 0.00 0.00 0.00 174.94 174.55 1pwu s GLN 132 N -1.27 4.47 0.22 2.79 -0.21 0.63 -1.81 119.66 124.47 1pwu s GLN 132 Ca -0.02 1.12 -0.32 0.00 0.02 0.00 0.00 55.36 56.16 1pwu s GLN 132 Cb -0.08 -3.47 -0.12 0.00 1.00 0.00 0.00 33.01 30.34 1pwu s GLN 132 CO 0.01 -0.04 1.69 -1.13 -2.12 0.00 0.00 175.29 173.70 1pwu n SER 133 N 4.05 3.93 0.00 5.90 3.41 -0.76 -4.85 113.62 125.30 1pwu n SER 133 Ca 0.03 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 1pwu n SER 133 Cb 0.51 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 1pwu n SER 133 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pwu n SER 134 N 3.60 0.00 0.00 4.04 7.64 -1.26 -4.82 113.62 122.82 1pwu n SER 134 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1pwu n SER 134 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1pwu n SER 134 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1pwu n GLU 135 N 0.00 0.00 0.00 1.43 4.07 -1.26 -4.73 120.64 120.15 1pwu n GLU 135 Ca 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.19 1pwu n GLU 135 Cb 0.00 0.00 0.41 0.00 -0.06 0.00 0.00 31.44 31.79 1pwu n GLU 135 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1pwu n ASP 136 N 0.00 0.00 -0.22 4.31 9.92 -1.26 -3.54 116.55 125.76 1pwu n ASP 136 Ca 0.00 0.45 0.02 0.00 -0.53 0.00 0.00 54.79 54.73 1pwu n ASP 136 Cb 0.41 -0.48 0.11 0.00 -0.64 0.00 0.00 41.12 40.52 1pwu n ASP 136 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1pwu h TYR 137 N 0.00 -0.10 0.03 1.24 0.99 -1.90 0.80 116.97 118.02 1pwu h TYR 137 Ca 0.00 0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.80 1pwu h TYR 137 Cb 0.31 0.15 -0.05 0.00 1.00 0.00 0.00 36.73 38.13 1pwu h TYR 137 CO 0.00 -0.21 -0.53 0.28 -0.00 0.00 0.00 178.16 177.70 1pwu h VAL 138 N 0.09 0.00 0.10 -2.88 2.07 -1.99 -3.30 116.25 110.33 1pwu h VAL 138 Ca 0.35 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.61 1pwu h VAL 138 Cb 0.57 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1pwu h VAL 138 CO -0.59 0.00 -1.31 -0.33 0.02 0.00 0.00 177.57 175.35 1pwu h GLU 139 N -0.69 0.20 -5.64 1.57 4.39 -1.78 -3.41 114.58 109.21 1pwu h GLU 139 Ca 0.01 -0.35 -0.49 0.00 0.34 0.00 0.00 59.36 58.87 1pwu h GLU 139 Cb 0.73 0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.45 1pwu h GLU 139 CO -0.34 1.17 1.58 1.21 -1.16 0.00 0.00 179.01 181.47 1pwu s ASN 140 N -6.96 5.84 0.33 1.42 3.04 0.27 -4.71 114.94 114.17 1pwu s ASN 140 Ca -0.21 -2.02 0.24 0.00 0.04 0.00 0.00 52.86 50.91 1pwu s ASN 140 Cb 0.04 -2.59 1.20 0.00 -1.54 0.00 0.00 41.25 38.36 1pwu s ASN 140 CO 0.74 -2.23 1.74 0.71 -3.04 0.00 0.00 177.10 175.02 1pwu h THR 141 N 5.90 0.00 0.00 -5.21 1.35 -1.81 -1.06 112.91 112.08 1pwu h THR 141 Ca 0.32 -0.10 -0.15 0.00 -0.55 0.00 0.00 66.41 65.93 1pwu h THR 141 Cb 0.91 0.72 -0.02 0.00 -1.73 0.00 0.00 68.15 68.03 1pwu h THR 141 CO 1.33 0.00 -0.71 -0.08 -0.25 0.00 0.00 175.52 175.81 1pwu h GLU 142 N 0.00 0.00 0.07 4.72 4.57 -1.91 -2.19 114.58 119.83 1pwu h GLU 142 Ca 0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.92 1pwu h GLU 142 Cb 0.15 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1pwu h GLU 142 CO 0.00 0.71 -1.10 0.87 -1.18 0.00 0.00 179.01 178.31 1pwu h LYS 143 N 0.00 0.43 -0.20 1.92 1.57 -1.55 -3.16 116.57 115.59 1pwu h LYS 143 Ca -0.01 -0.55 -0.08 0.00 -1.87 0.00 0.00 60.65 58.14 1pwu h LYS 143 Cb 1.29 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.77 1pwu h LYS 143 CO 0.09 1.21 -0.20 0.00 -0.57 0.00 0.00 179.45 179.98 1pwu h ALA 144 N 0.58 0.29 -0.86 3.86 0.00 -1.52 -2.85 119.26 118.76 1pwu h ALA 144 Ca -0.12 -0.35 0.12 0.00 0.00 0.00 0.00 54.91 54.55 1pwu h ALA 144 Cb 1.77 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.42 1pwu h ALA 144 CO 0.19 0.23 0.48 1.25 0.00 0.00 0.00 179.25 181.40 1pwu h LEU 145 N 0.16 0.64 -0.79 0.00 6.46 -1.49 -1.45 115.31 118.84 1pwu h LEU 145 Ca 0.03 0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.77 1pwu h LEU 145 Cb 0.75 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 1pwu h LEU 145 CO 0.05 0.32 -0.10 0.78 -0.62 0.00 0.00 178.44 178.87 1pwu h ASN 146 N 0.74 0.80 -0.11 1.25 2.35 -1.49 0.91 115.58 120.03 1pwu h ASN 146 Ca 0.44 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1pwu h ASN 146 Cb 0.52 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 1pwu h ASN 146 CO -0.30 0.93 0.01 0.58 -1.65 0.00 0.00 177.43 176.99 1pwu h VAL 147 N 0.73 1.23 -0.89 2.81 2.07 -1.10 -1.68 116.25 119.42 1pwu h VAL 147 Ca 0.12 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1pwu h VAL 147 Cb 0.59 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1pwu h VAL 147 CO 0.04 0.21 0.59 1.88 0.02 0.00 0.00 177.57 180.31 1pwu h TYR 148 N -0.07 1.11 -0.01 1.57 0.99 -1.17 0.08 116.97 119.46 1pwu h TYR 148 Ca 0.03 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.74 1pwu h TYR 148 Cb 0.32 -0.38 -0.01 0.00 1.00 0.00 0.00 36.73 37.66 1pwu h TYR 148 CO 0.02 0.70 -0.22 -0.92 -0.00 0.00 0.00 178.16 177.74 1pwu h TYR 149 N 1.19 0.02 0.05 4.88 3.20 -0.62 0.22 116.97 125.92 1pwu h TYR 149 Ca 0.33 -0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.94 1pwu h TYR 149 Cb -0.12 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 38.15 1pwu h TYR 149 CO -0.00 0.24 -1.08 1.49 -1.64 0.00 0.00 178.16 177.17 1pwu h GLU 150 N 0.02 0.50 -0.27 1.82 4.57 -0.09 -2.78 114.58 118.34 1pwu h GLU 150 Ca 0.00 -0.60 -0.10 0.00 -1.18 0.00 0.00 59.36 57.48 1pwu h GLU 150 Cb 0.41 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1pwu h GLU 150 CO 0.03 1.23 -0.24 0.82 -1.18 0.00 0.00 179.01 179.67 1pwu h ILE 151 N 0.25 1.27 -0.65 2.32 2.04 -0.46 -2.57 117.51 119.71 1pwu h ILE 151 Ca -0.12 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 1pwu h ILE 151 Cb 1.74 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 39.11 1pwu h ILE 151 CO 0.20 0.41 0.40 1.23 0.00 0.00 0.00 178.15 180.38 1pwu h GLY 152 N 1.01 0.94 1.84 5.37 0.00 -0.47 0.51 103.07 112.28 1pwu h GLY 152 Ca 0.07 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 1pwu h GLY 152 CO 0.05 0.37 -0.50 0.50 0.00 0.00 0.00 176.54 176.96 1pwu h LYS 153 N 0.90 0.17 -0.04 4.80 1.57 -1.19 -0.52 116.57 122.26 1pwu h LYS 153 Ca 0.24 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1pwu h LYS 153 Cb -0.04 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1pwu h LYS 153 CO -0.05 0.63 -0.03 0.82 -0.57 0.00 0.00 179.45 180.25 1pwu h ILE 154 N 0.14 1.36 -0.31 1.86 2.04 -0.96 0.22 117.51 121.86 1pwu h ILE 154 Ca 0.00 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 64.76 1pwu h ILE 154 Cb 0.93 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 39.01 1pwu h ILE 154 CO 0.07 0.31 0.07 0.25 0.00 0.00 0.00 178.15 178.86 1pwu h LEU 155 N -0.34 0.04 0.08 1.44 5.85 -0.75 0.54 115.31 122.18 1pwu h LEU 155 Ca 0.01 0.04 -0.28 0.00 0.84 0.00 0.00 57.88 58.50 1pwu h LEU 155 Cb 0.52 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1pwu h LEU 155 CO 0.01 0.06 -1.36 0.77 -0.34 0.00 0.00 178.44 177.58 1pwu h SER 156 N 0.19 0.28 0.07 1.25 4.64 -1.15 0.33 113.55 119.15 1pwu h SER 156 Ca 0.14 -0.35 -0.37 0.00 -0.47 0.00 0.00 61.79 60.74 1pwu h SER 156 Cb 0.14 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 1pwu h SER 156 CO -0.17 1.29 -2.11 -1.14 -0.87 0.00 0.00 176.83 173.82 1pwu n ARG 157 N -3.41 0.70 -0.04 4.77 0.63 0.06 -3.51 116.66 115.87 1pwu n ARG 157 Ca -0.11 0.26 -0.14 0.00 -0.92 0.00 0.00 57.85 56.95 1pwu n ARG 157 Cb 1.02 -1.64 -0.14 0.00 0.45 0.00 0.00 32.46 32.14 1pwu n ARG 157 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1pwu n ASP 158 N -3.56 1.23 -0.02 6.15 10.43 0.16 -4.31 116.55 126.63 1pwu n ASP 158 Ca -0.38 0.24 -0.02 0.00 2.57 0.00 0.00 54.79 57.20 1pwu n ASP 158 Cb 0.98 -0.18 -0.01 0.00 1.84 0.00 0.00 41.12 43.76 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 -3.15 0.39 0.24 0.53 2.08 0.28 -4.52 119.36 115.21 1pwu n ILE 159 Ca -0.27 0.41 0.17 0.00 0.56 0.00 0.00 62.75 63.63 1pwu n ILE 159 Cb 1.06 -1.74 0.87 0.00 -0.75 0.00 0.00 39.64 39.09 1pwu n ILE 159 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1pwu h LEU 160 N -0.27 0.00 -1.60 1.39 3.38 -0.52 -0.79 115.31 116.91 1pwu h LEU 160 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1pwu h LEU 160 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1pwu h LEU 160 CO 0.00 0.00 -0.17 0.77 0.09 0.00 0.00 178.44 179.13 1pwu h SER 161 N 0.00 0.00 0.84 -0.43 4.64 -1.57 0.22 113.55 117.26 1pwu h SER 161 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1pwu h SER 161 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1pwu h SER 161 CO -0.00 0.17 0.00 0.11 -0.87 0.00 0.00 176.83 176.24 1pwu h LYS 162 N 0.00 0.00 0.00 4.77 1.79 -1.37 -2.90 116.57 118.86 1pwu h LYS 162 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1pwu h LYS 162 Cb 0.50 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 1pwu h LYS 162 CO 0.02 0.00 -0.47 0.44 -1.08 0.00 0.00 179.45 178.36 1pwu n ILE 163 N -2.72 1.97 -3.65 1.86 -5.35 -0.75 -4.99 119.36 105.73 1pwu n ILE 163 Ca 0.01 -2.90 -0.24 0.00 -0.27 0.00 0.00 62.75 59.35 1pwu n ILE 163 Cb 0.26 -0.14 0.06 0.00 -1.74 0.00 0.00 39.64 38.09 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 -1.03 -4.71 -4.18 7.28 5.03 -1.10 -4.87 115.26 111.68 1pwu n ASN 164 Ca 0.17 -0.64 -0.13 0.00 0.87 0.00 0.00 54.58 54.85 1pwu n ASN 164 Cb 0.72 -4.69 -0.10 0.00 -1.02 0.00 0.00 39.78 34.68 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 -6.18 0.87 0.82 3.52 -0.21 -0.01 -4.34 119.66 114.13 1pwu s GLN 165 Ca 0.44 -1.25 -0.11 0.00 0.02 0.00 0.00 55.36 54.46 1pwu s GLN 165 Cb -0.20 -0.45 0.08 0.00 1.00 0.00 0.00 33.01 33.44 1pwu s GLN 165 CO 0.76 0.05 1.09 -1.25 -2.12 0.00 0.00 175.29 173.82 1pwu s PRO 166 N -3.24 1.90 0.00 2.91 0.04 -1.26 -2.91 135.00 132.44 1pwu s PRO 166 Ca 0.09 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1pwu s PRO 166 Cb 0.00 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1pwu s PRO 166 CO -0.01 -1.87 0.00 0.98 0.04 0.00 0.00 177.00 176.14 1pwu n TYR 167 N -3.66 0.00 -0.32 0.56 9.36 -1.26 -4.98 117.16 116.85 1pwu n TYR 167 Ca 0.09 0.00 0.20 0.00 3.32 0.00 0.00 57.90 61.50 1pwu n TYR 167 Cb 0.54 0.00 0.41 0.00 -0.63 0.00 0.00 39.34 39.65 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 0.31 0.23 2.98 5.75 -1.94 -1.81 115.11 120.63 1pwu h GLN 168 Ca 0.00 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1pwu h GLN 168 Cb 0.00 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1pwu h GLN 168 CO 0.00 0.20 -0.30 -0.22 -2.65 0.00 0.00 178.83 175.86 1pwu h LYS 169 N 0.32 -0.57 -0.53 1.69 3.64 -1.96 -1.63 116.57 117.53 1pwu h LYS 169 Ca 0.67 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 60.02 1pwu h LYS 169 Cb 1.45 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.38 1pwu h LYS 169 CO -0.61 -0.38 0.06 0.35 -2.27 0.00 0.00 179.45 176.60 1pwu h PHE 170 N -0.59 0.90 -0.36 1.91 3.57 -1.74 -1.82 116.94 118.82 1pwu h PHE 170 Ca 0.00 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.43 1pwu h PHE 170 Cb 0.57 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1pwu h PHE 170 CO -0.22 0.79 0.25 -0.07 -2.23 0.00 0.00 178.31 176.83 1pwu h LEU 171 N 0.81 0.27 -0.44 0.59 3.38 -1.08 0.06 115.31 118.90 1pwu h LEU 171 Ca 0.16 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1pwu h LEU 171 Cb 0.40 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1pwu h LEU 171 CO 0.01 0.19 0.08 0.44 0.09 0.00 0.00 178.44 179.24 1pwu h ASP 172 N 0.32 0.70 0.13 -0.43 3.32 -0.43 -0.42 116.42 119.60 1pwu h ASP 172 Ca 0.15 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1pwu h ASP 172 Cb 0.22 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1pwu h ASP 172 CO -0.03 0.78 -0.12 0.58 -1.72 0.00 0.00 179.24 178.73 1pwu h VAL 173 N 0.59 0.74 -0.63 -1.35 2.07 -0.77 -0.07 116.25 116.83 1pwu h VAL 173 Ca 0.13 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.73 1pwu h VAL 173 Cb 0.37 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1pwu h VAL 173 CO 0.01 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.83 1pwu h LEU 174 N -0.26 0.39 -0.76 2.57 3.38 -1.08 -2.10 115.31 117.45 1pwu h LEU 174 Ca 0.00 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1pwu h LEU 174 Cb 0.25 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1pwu h LEU 174 CO -0.02 0.24 -0.01 0.78 0.09 0.00 0.00 178.44 179.52 1pwu h ASN 175 N 0.54 0.91 -0.29 -0.43 2.35 -0.73 0.22 115.58 118.15 1pwu h ASN 175 Ca 0.30 -0.25 0.08 0.00 -0.55 0.00 0.00 56.30 55.89 1pwu h ASN 175 Cb 0.29 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1pwu h ASN 175 CO -0.24 0.97 0.21 0.74 -1.65 0.00 0.00 177.43 177.46 1pwu h THR 176 N 0.86 0.84 0.00 2.81 2.02 -0.33 -0.01 112.91 119.11 1pwu h THR 176 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1pwu h THR 176 Cb 0.52 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1pwu h THR 176 CO 0.03 0.00 -0.12 0.40 0.37 0.00 0.00 175.52 176.20 1pwu h ILE 177 N 0.00 0.53 -0.96 3.11 2.04 -1.09 -2.69 117.51 118.44 1pwu h ILE 177 Ca 0.14 -1.42 0.28 0.00 1.00 0.00 0.00 64.86 64.86 1pwu h ILE 177 Cb 0.55 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 1pwu h ILE 177 CO -0.00 0.18 0.80 0.50 0.00 0.00 0.00 178.15 179.63 1pwu h LYS 178 N -1.00 0.00 -0.02 2.37 3.64 -0.46 0.32 116.57 121.42 1pwu h LYS 178 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1pwu h LYS 178 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1pwu h LYS 178 CO -0.01 0.00 -0.04 0.09 -2.27 0.00 0.00 179.45 177.22 1pwu n ASN 179 N -3.92 2.35 -4.74 4.20 3.02 -0.06 -5.00 115.26 111.10 1pwu n ASN 179 Ca 0.20 -1.67 -0.31 0.00 -0.03 0.00 0.00 54.58 52.77 1pwu n ASN 179 Cb 1.13 0.06 0.11 0.00 -0.61 0.00 0.00 39.78 40.46 1pwu n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pwu s ALA 180 N -1.50 2.03 -0.03 5.41 0.00 0.11 -4.99 121.76 122.79 1pwu s ALA 180 Ca 0.19 0.38 -0.14 0.00 0.00 0.00 0.00 51.96 52.40 1pwu s ALA 180 Cb 0.14 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 1pwu s ALA 180 CO 0.24 -2.05 0.61 0.66 0.00 0.00 0.00 175.76 175.22 1pwu h SER 181 N -1.29 -0.43 -2.32 0.00 4.64 -1.90 -3.41 113.55 108.84 1pwu h SER 181 Ca -0.44 0.01 -0.54 0.00 -0.47 0.00 0.00 61.79 60.36 1pwu h SER 181 Cb 1.24 0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 63.42 1pwu h SER 181 CO 0.48 -0.02 1.34 -0.62 -0.87 0.00 0.00 176.83 177.14 1pwu s ASP 182 N -4.79 5.54 0.55 4.97 3.68 -1.26 -4.84 116.67 120.53 1pwu s ASP 182 Ca -0.07 0.98 0.37 0.00 2.13 0.00 0.00 52.55 55.96 1pwu s ASP 182 Cb 0.01 -2.52 1.87 0.00 -1.45 0.00 0.00 42.92 40.82 1pwu s ASP 182 CO 0.22 -2.04 2.12 0.28 0.13 0.00 0.00 175.17 175.88 1pwu h SER 183 N 14.23 0.00 -0.68 -0.34 0.02 -1.93 -3.31 113.55 121.54 1pwu h SER 183 Ca -0.30 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.71 1pwu h SER 183 Cb 1.18 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.64 1pwu h SER 183 CO 1.10 0.00 -0.40 0.47 -1.14 0.00 0.00 176.83 176.86 1pwu n ASP 184 N -2.88 -0.72 -0.18 3.07 10.43 -1.26 0.20 116.55 125.20 1pwu n ASP 184 Ca -0.01 1.24 -0.02 0.00 2.57 0.00 0.00 54.79 58.56 1pwu n ASP 184 Cb 0.13 -0.17 0.04 0.00 1.84 0.00 0.00 41.12 42.97 1pwu n ASP 184 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 1pwu h GLY 185 N 0.00 0.33 0.67 0.44 0.00 -1.49 0.20 103.07 103.21 1pwu h GLY 185 Ca 0.11 0.22 0.08 0.00 0.00 0.00 0.00 47.33 47.74 1pwu h GLY 185 CO -0.64 -0.22 0.59 -1.61 0.00 0.00 0.00 176.54 174.66 1pwu h GLN 186 N -0.03 1.01 -0.05 4.80 4.15 -0.51 -1.59 115.11 122.88 1pwu h GLN 186 Ca 0.27 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.53 1pwu h GLN 186 Cb 0.44 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1pwu h GLN 186 CO -0.59 0.67 -0.42 -0.44 -1.93 0.00 0.00 178.83 176.11 1pwu h ASP 187 N 1.04 0.12 1.77 -0.69 3.45 0.78 -0.73 116.42 122.16 1pwu h ASP 187 Ca 0.42 -0.05 -0.03 0.00 0.43 0.00 0.00 57.03 57.80 1pwu h ASP 187 Cb 0.24 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 38.97 1pwu h ASP 187 CO -0.20 0.53 -0.13 0.25 -1.57 0.00 0.00 179.24 178.13 1pwu h LEU 188 N 0.10 0.00 0.00 1.55 5.85 0.05 -3.41 115.31 119.45 1pwu h LEU 188 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1pwu h LEU 188 Cb 0.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1pwu h LEU 188 CO 0.06 0.13 -0.38 0.18 -0.34 0.00 0.00 178.44 178.09 1pwu n LEU 189 N -3.14 0.00 -4.88 2.25 4.77 -1.00 -5.03 117.00 109.96 1pwu n LEU 189 Ca 0.03 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 1pwu n LEU 189 Cb 0.56 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.68 1pwu n LEU 189 CO 0.35 0.00 0.70 -0.36 -1.33 0.00 0.00 177.39 176.75 1pwu s PHE 190 N -0.97 3.46 0.46 -1.77 2.99 -0.28 -4.62 117.98 117.24 1pwu s PHE 190 Ca 0.00 1.10 0.07 0.00 0.00 0.00 0.00 56.93 58.10 1pwu s PHE 190 Cb 0.00 -2.85 -0.01 0.00 0.00 0.00 0.00 43.02 40.16 1pwu s PHE 190 CO 0.00 -0.89 0.36 0.95 -0.00 0.00 0.00 175.22 175.64 1pwu s THR 191 N -3.22 2.27 0.17 0.64 -4.23 -1.26 -4.84 115.64 105.16 1pwu s THR 191 Ca 0.56 -1.45 -0.16 0.00 -1.18 0.00 0.00 61.69 59.46 1pwu s THR 191 Cb -0.11 -2.71 0.08 0.00 1.34 0.00 0.00 72.50 71.10 1pwu s THR 191 CO 0.52 0.00 1.68 0.78 -0.54 0.00 0.00 174.62 177.06 1pwu h ASN 192 N 1.00 -0.26 -0.85 3.99 2.35 -1.98 -0.30 115.58 119.53 1pwu h ASN 192 Ca -0.40 0.10 0.12 0.00 -0.55 0.00 0.00 56.30 55.57 1pwu h ASN 192 Cb 1.28 0.20 -0.08 0.00 0.05 0.00 0.00 38.32 39.77 1pwu h ASN 192 CO 0.59 -0.09 0.48 -0.61 -1.65 0.00 0.00 177.43 176.16 1pwu h GLN 193 N 0.05 0.73 -0.18 0.81 4.15 -1.95 -1.02 115.11 117.70 1pwu h GLN 193 Ca 0.19 -0.04 -0.19 0.00 0.77 0.00 0.00 58.65 59.38 1pwu h GLN 193 Cb 0.28 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 27.82 1pwu h GLN 193 CO -0.36 0.49 -0.62 -0.07 -1.93 0.00 0.00 178.83 176.33 1pwu h LEU 194 N 0.76 0.86 -1.38 -2.39 3.38 -1.76 -3.09 115.31 111.68 1pwu h LEU 194 Ca 0.43 -0.60 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1pwu h LEU 194 Cb 0.48 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1pwu h LEU 194 CO -0.29 1.31 0.44 0.11 0.09 0.00 0.00 178.44 180.10 1pwu h LYS 195 N 0.46 0.80 -1.76 1.13 1.57 -0.53 -2.82 116.57 115.41 1pwu h LYS 195 Ca -0.03 -0.05 -0.50 0.00 -1.87 0.00 0.00 60.65 58.20 1pwu h LYS 195 Cb 1.25 -0.18 -0.19 0.00 0.08 0.00 0.00 32.23 33.19 1pwu h LYS 195 CO 0.13 0.53 0.54 0.39 -0.57 0.00 0.00 179.45 180.47 1pwu n GLU 196 N -4.45 2.31 -4.96 3.15 1.02 -0.44 -4.89 120.64 112.38 1pwu n GLU 196 Ca 0.08 -2.38 -0.32 0.00 -0.02 0.00 0.00 57.16 54.51 1pwu n GLU 196 Cb 0.10 -2.03 -0.16 0.00 -0.02 0.00 0.00 31.44 29.33 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 -2.27 2.67 0.00 -0.32 2.46 -1.07 -4.97 115.29 111.79 1pwu s HIS 197 Ca 0.51 -0.97 0.00 0.00 0.47 0.00 0.00 55.06 55.07 1pwu s HIS 197 Cb 0.37 -1.78 0.00 0.00 -0.13 0.00 0.00 32.58 31.04 1pwu s HIS 197 CO -0.16 -0.39 0.32 -2.30 -2.47 0.00 0.00 174.74 169.74 1pwu n PRO 198 N 3.64 0.00 -0.80 2.88 -0.02 -1.26 -4.89 135.00 134.55 1pwu n PRO 198 Ca -0.19 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.00 1pwu n PRO 198 Cb 0.53 -0.81 0.19 0.00 -0.02 0.00 0.00 33.50 33.39 1pwu n PRO 198 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1pwu s THR 199 N -0.65 2.22 0.96 3.45 -4.23 -1.26 -5.00 115.64 111.14 1pwu s THR 199 Ca 0.00 0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.46 1pwu s THR 199 Cb 0.00 -2.26 0.17 0.00 1.34 0.00 0.00 72.50 71.75 1pwu s THR 199 CO 0.00 -0.09 1.09 -1.81 -0.54 0.00 0.00 174.62 173.27 1pwu s ASP 200 N -2.85 2.89 -0.18 3.99 1.01 -1.26 -4.93 116.67 115.34 1pwu s ASP 200 Ca 0.66 1.32 -0.29 0.00 0.71 0.00 0.00 52.55 54.95 1pwu s ASP 200 Cb -0.22 -1.99 -0.00 0.00 1.01 0.00 0.00 42.92 41.72 1pwu s ASP 200 CO 0.60 -2.98 1.05 -0.36 0.21 0.00 0.00 175.17 173.69 1pwu s PHE 201 N -2.94 3.36 0.38 4.23 0.40 -1.26 -5.02 117.98 117.13 1pwu s PHE 201 Ca 0.65 1.47 0.03 0.00 -0.60 0.00 0.00 56.93 58.48 1pwu s PHE 201 Cb -0.19 -3.26 -0.01 0.00 0.51 0.00 0.00 43.02 40.07 1pwu s PHE 201 CO 0.58 -0.51 0.55 -1.54 0.70 0.00 0.00 175.22 175.00 1pwu s SER 202 N 1.23 5.96 0.35 1.36 1.04 -1.26 -4.93 113.70 117.45 1pwu s SER 202 Ca 0.47 0.08 0.27 0.00 0.48 0.00 0.00 55.95 57.25 1pwu s SER 202 Cb -0.17 -1.47 1.14 0.00 0.10 0.00 0.00 66.02 65.63 1pwu s SER 202 CO 0.11 -0.51 1.80 1.62 0.98 0.00 0.00 173.24 177.24 1pwu h VAL 203 N 0.69 0.00 0.00 5.02 3.04 -1.99 0.50 116.25 123.51 1pwu h VAL 203 Ca -0.47 -0.28 -0.04 0.00 -1.01 0.00 0.00 66.70 64.90 1pwu h VAL 203 Cb 1.25 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.60 1pwu h VAL 203 CO 0.56 0.00 -0.19 -0.33 -1.01 0.00 0.00 177.57 176.60 1pwu h GLU 204 N 0.00 0.00 0.11 4.17 3.07 -2.00 -2.94 114.58 116.99 1pwu h GLU 204 Ca 0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.69 1pwu h GLU 204 Cb 0.37 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1pwu h GLU 204 CO 0.00 0.19 -0.76 0.35 -1.40 0.00 0.00 179.01 177.39 1pwu h PHE 205 N 0.00 0.42 -0.11 4.33 3.04 -1.32 -3.21 116.94 120.09 1pwu h PHE 205 Ca -0.00 -0.30 0.03 0.00 3.98 0.00 0.00 57.97 61.68 1pwu h PHE 205 Cb 1.09 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.58 1pwu h PHE 205 CO 0.00 1.29 0.24 1.25 -2.02 0.00 0.00 178.31 179.07 1pwu h LEU 206 N -0.50 0.00 0.13 0.59 5.85 -1.29 -0.02 115.31 120.07 1pwu h LEU 206 Ca -0.14 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1pwu h LEU 206 Cb 1.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.56 1pwu h LEU 206 CO 0.10 0.00 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.06 1pwu h GLU 207 N 0.00 -0.17 -0.00 1.25 4.57 -1.52 -3.06 114.58 115.65 1pwu h GLU 207 Ca 0.05 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1pwu h GLU 207 Cb 0.53 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1pwu h GLU 207 CO -0.00 0.28 -0.11 1.04 -1.18 0.00 0.00 179.01 179.04 1pwu n GLN 208 N -4.87 0.65 -2.68 1.92 3.00 -0.90 -4.12 117.38 110.38 1pwu n GLN 208 Ca -0.07 -0.21 -0.08 0.00 -0.01 0.00 0.00 57.00 56.64 1pwu n GLN 208 Cb 0.26 -1.50 0.04 0.00 0.00 0.00 0.00 30.24 29.04 1pwu n GLN 208 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1pwu n ASN 209 N -1.00 1.99 -0.35 1.08 3.02 -0.07 -4.92 115.26 115.01 1pwu n ASN 209 Ca 0.14 -2.56 0.06 0.00 -0.03 0.00 0.00 54.58 52.19 1pwu n ASN 209 Cb 0.28 -0.49 0.24 0.00 -0.61 0.00 0.00 39.78 39.19 1pwu n ASN 209 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1pwu h SER 210 N 2.74 0.94 -0.27 6.41 4.64 -1.69 -2.56 113.55 123.77 1pwu h SER 210 Ca -0.05 0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1pwu h SER 210 Cb 1.23 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 1pwu h SER 210 CO 0.41 0.52 -0.01 -1.13 -0.87 0.00 0.00 176.83 175.75 1pwu h ASN 211 N 1.02 -0.12 -0.63 4.97 -0.73 -1.91 0.63 115.58 118.81 1pwu h ASN 211 Ca 0.47 0.06 0.01 0.00 1.87 0.00 0.00 56.30 58.72 1pwu h ASN 211 Cb 0.42 0.11 -0.03 0.00 0.27 0.00 0.00 38.32 39.09 1pwu h ASN 211 CO -0.23 -0.03 0.42 -0.33 -0.37 0.00 0.00 177.43 176.88 1pwu h GLU 212 N 0.07 0.80 -0.04 6.67 4.39 -1.87 0.13 114.58 124.73 1pwu h GLU 212 Ca 0.13 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.60 1pwu h GLU 212 Cb 0.17 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1pwu h GLU 212 CO -0.22 0.53 -0.67 0.28 -1.16 0.00 0.00 179.01 177.77 1pwu h VAL 213 N 0.83 1.37 -0.56 3.13 2.07 -1.32 -2.99 116.25 118.77 1pwu h VAL 213 Ca 0.24 -2.03 0.02 0.00 0.82 0.00 0.00 66.70 65.74 1pwu h VAL 213 Cb -0.05 2.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1pwu h VAL 213 CO -0.06 0.61 0.37 1.56 0.02 0.00 0.00 177.57 180.07 1pwu h GLN 214 N 0.11 0.69 0.61 1.57 4.20 -0.47 -2.11 115.11 119.72 1pwu h GLN 214 Ca -0.07 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 1pwu h GLN 214 Cb 1.35 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.98 1pwu h GLN 214 CO 0.13 0.46 -0.29 0.93 -0.67 0.00 0.00 178.83 179.39 1pwu h GLU 215 N 0.71 -0.79 -0.55 1.46 4.39 -0.93 -1.32 114.58 117.55 1pwu h GLU 215 Ca 0.21 0.05 0.07 0.00 0.34 0.00 0.00 59.36 60.04 1pwu h GLU 215 Cb -0.02 0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 1pwu h GLU 215 CO -0.05 -0.52 0.23 0.28 -1.16 0.00 0.00 179.01 177.80 1pwu h VAL 216 N -0.86 0.86 -0.19 3.13 2.07 -1.35 -0.61 116.25 119.30 1pwu h VAL 216 Ca -0.08 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.34 1pwu h VAL 216 Cb 0.64 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 1pwu h VAL 216 CO 0.14 0.08 -0.31 0.15 0.02 0.00 0.00 177.57 177.65 1pwu h PHE 217 N 0.44 -0.85 -0.27 1.57 3.57 -1.22 0.10 116.94 120.28 1pwu h PHE 217 Ca 0.26 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.85 1pwu h PHE 217 Cb 0.26 0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 1pwu h PHE 217 CO -0.14 -0.38 0.03 0.00 -2.23 0.00 0.00 178.31 175.58 1pwu h ALA 218 N 0.53 0.26 -0.41 2.41 0.00 -0.48 0.19 119.26 121.75 1pwu h ALA 218 Ca 0.11 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1pwu h ALA 218 Cb 0.53 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1pwu h ALA 218 CO -0.39 -0.39 0.25 0.87 0.00 0.00 0.00 179.25 179.60 1pwu h LYS 219 N 0.12 0.50 -0.41 0.00 1.57 -0.75 0.18 116.57 117.78 1pwu h LYS 219 Ca 0.13 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1pwu h LYS 219 Cb 0.15 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1pwu h LYS 219 CO -0.19 0.33 0.25 0.00 -0.57 0.00 0.00 179.45 179.27 1pwu h ALA 220 N 1.17 0.52 -0.02 3.86 0.00 -0.51 0.82 119.26 125.10 1pwu h ALA 220 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pwu h ALA 220 Cb -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1pwu h ALA 220 CO -0.06 0.01 0.01 0.35 0.00 0.00 0.00 179.25 179.56 1pwu h PHE 221 N 0.54 0.02 0.15 0.00 3.57 -0.32 -0.60 116.94 120.30 1pwu h PHE 221 Ca 0.15 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1pwu h PHE 221 Cb -0.01 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1pwu h PHE 221 CO -0.04 0.03 -0.27 0.00 -2.23 0.00 0.00 178.31 175.80 1pwu h ALA 222 N 0.99 -0.48 -0.76 2.41 0.00 -0.37 0.11 119.26 121.16 1pwu h ALA 222 Ca 0.01 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1pwu h ALA 222 Cb 0.01 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1pwu h ALA 222 CO -0.00 -0.82 0.50 1.88 0.00 0.00 0.00 179.25 180.81 1pwu h TYR 223 N -0.50 0.62 0.00 0.00 -1.99 -0.71 -1.64 116.97 112.75 1pwu h TYR 223 Ca 0.02 0.02 -0.23 0.00 2.00 0.00 0.00 58.73 60.54 1pwu h TYR 223 Cb 0.51 -0.20 0.01 0.00 2.00 0.00 0.00 36.73 39.05 1pwu h TYR 223 CO -0.23 0.26 -0.96 -0.92 -0.00 0.00 0.00 178.16 176.31 1pwu h TYR 224 N 0.55 0.67 -0.32 4.88 3.20 -0.15 -2.10 116.97 123.70 1pwu h TYR 224 Ca 0.37 -0.36 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1pwu h TYR 224 Cb 0.66 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1pwu h TYR 224 CO -0.00 1.19 -0.13 0.82 -1.64 0.00 0.00 178.16 178.40 1pwu h ILE 225 N 0.25 1.29 -3.13 1.81 1.08 0.07 -3.41 117.51 115.47 1pwu h ILE 225 Ca -0.09 -1.21 -0.57 0.00 -0.39 0.00 0.00 64.86 62.60 1pwu h ILE 225 Cb 1.60 1.41 -0.05 0.00 -3.07 0.00 0.00 36.82 36.71 1pwu h ILE 225 CO 0.17 0.39 1.11 -0.70 -0.69 0.00 0.00 178.15 178.43 1pwu s GLU 226 N -4.66 3.50 0.24 2.37 -6.30 -0.73 -4.91 118.70 108.21 1pwu s GLU 226 Ca -0.13 0.97 -0.11 0.00 -2.50 0.00 0.00 54.97 53.20 1pwu s GLU 226 Cb 0.09 -4.07 0.33 0.00 0.00 0.00 0.00 34.13 30.48 1pwu s GLU 226 CO 0.80 -1.66 1.59 -1.35 0.02 0.00 0.00 175.26 174.66 1pwu h PRO 227 N 11.17 -0.00 0.00 4.30 0.11 -1.85 -1.35 132.00 144.37 1pwu h PRO 227 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1pwu h PRO 227 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1pwu h PRO 227 CO 1.09 -0.00 -0.13 1.96 -0.21 0.00 0.00 178.00 180.70 1pwu h GLN 228 N -0.00 0.00 0.00 1.05 1.08 -1.91 -2.91 115.11 112.41 1pwu h GLN 228 Ca 0.38 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.58 1pwu h GLN 228 Cb 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1pwu h GLN 228 CO -0.82 0.13 -1.46 0.72 -0.95 0.00 0.00 178.83 176.44 1pwu n HIS 229 N -3.69 0.33 -0.23 2.96 8.25 -0.59 -4.42 115.22 117.83 1pwu n HIS 229 Ca -0.02 0.10 0.03 0.00 -0.26 0.00 0.00 57.72 57.57 1pwu n HIS 229 Cb 0.24 -0.59 0.15 0.00 1.12 0.00 0.00 29.99 30.91 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 0.00 0.34 -0.06 -0.41 2.43 -0.60 0.17 114.38 116.26 1pwu h ARG 230 Ca 0.00 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1pwu h ARG 230 Cb 0.92 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1pwu h ARG 230 CO 0.00 0.23 0.05 -0.44 -1.51 0.00 0.00 179.97 178.29 1pwu h ASP 231 N 0.35 0.00 -0.10 -3.80 5.19 -1.77 0.16 116.42 116.45 1pwu h ASP 231 Ca 0.36 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.61 1pwu h ASP 231 Cb 0.54 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1pwu h ASP 231 CO -0.40 0.00 -0.49 0.58 -3.12 0.00 0.00 179.24 175.80 1pwu h VAL 232 N 0.00 1.30 -0.09 -1.35 2.07 -0.93 -1.55 116.25 115.69 1pwu h VAL 232 Ca 0.03 -1.70 -0.03 0.00 0.82 0.00 0.00 66.70 65.81 1pwu h VAL 232 Cb 0.12 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1pwu h VAL 232 CO -0.00 0.54 -0.06 0.25 0.02 0.00 0.00 177.57 178.32 1pwu h LEU 233 N 0.53 0.22 -1.38 2.57 6.46 -0.32 -2.33 115.31 121.05 1pwu h LEU 233 Ca 0.02 -0.44 -0.00 0.00 -0.12 0.00 0.00 57.88 57.34 1pwu h LEU 233 Cb 1.05 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.89 1pwu h LEU 233 CO 0.10 0.61 0.34 -0.61 -0.62 0.00 0.00 178.44 178.26 1pwu h GLN 234 N -0.18 0.75 -0.21 1.25 4.15 -1.07 0.13 115.11 119.94 1pwu h GLN 234 Ca 0.02 -0.06 -0.18 0.00 0.77 0.00 0.00 58.65 59.20 1pwu h GLN 234 Cb 0.54 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 1pwu h GLN 234 CO 0.02 0.53 -0.58 1.25 -1.93 0.00 0.00 178.83 178.12 1pwu h LEU 235 N 0.77 0.74 0.00 -2.39 5.85 -1.18 -3.30 115.31 115.80 1pwu h LEU 235 Ca 0.20 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1pwu h LEU 235 Cb -0.03 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 1pwu h LEU 235 CO -0.04 1.16 -1.39 -1.22 -0.34 0.00 0.00 178.44 176.61 1pwu n TYR 236 N -3.96 0.00 -3.20 1.25 4.01 -0.89 -4.78 117.16 109.59 1pwu n TYR 236 Ca -0.04 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.47 1pwu n TYR 236 Cb 0.63 -0.22 -0.06 0.00 -0.31 0.00 0.00 39.34 39.39 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 -1.87 2.94 -0.23 -0.72 0.00 0.45 -1.99 120.51 119.09 1pwu n ALA 237 Ca -0.03 -3.85 0.03 0.00 0.00 0.00 0.00 53.44 49.59 1pwu n ALA 237 Cb 0.31 -0.85 0.14 0.00 0.00 0.00 0.00 19.45 19.05 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 3.62 0.31 -0.05 0.00 0.11 -1.63 0.36 132.00 134.73 1pwu h PRO 238 Ca 0.11 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.21 1pwu h PRO 238 Cb 0.81 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1pwu h PRO 238 CO 0.59 0.21 -0.02 0.93 -0.21 0.00 0.00 178.00 179.50 1pwu h GLU 239 N 0.32 -0.02 -0.91 1.05 4.39 -1.91 0.74 114.58 118.24 1pwu h GLU 239 Ca 0.36 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.10 1pwu h GLU 239 Cb 0.55 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.15 1pwu h GLU 239 CO -0.42 -0.01 0.59 0.00 -1.16 0.00 0.00 179.01 178.01 1pwu h ALA 240 N 1.03 1.21 0.56 3.43 0.00 -1.62 0.81 119.26 124.68 1pwu h ALA 240 Ca 0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1pwu h ALA 240 Cb 0.06 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.55 1pwu h ALA 240 CO -0.06 0.44 -0.27 0.35 0.00 0.00 0.00 179.25 179.70 1pwu h PHE 241 N 1.13 -0.70 -0.54 0.00 3.04 0.57 -0.33 116.94 120.11 1pwu h PHE 241 Ca 0.37 -0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.41 1pwu h PHE 241 Cb 0.03 0.23 -0.09 0.00 2.56 0.00 0.00 35.95 38.68 1pwu h PHE 241 CO -0.01 -0.40 -0.02 -0.91 -2.02 0.00 0.00 178.31 174.95 1pwu h ASN 242 N -0.86 -0.27 0.03 0.41 -0.26 0.84 0.19 115.58 115.66 1pwu h ASN 242 Ca -0.08 0.13 0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1pwu h ASN 242 Cb 0.62 0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 38.11 1pwu h ASN 242 CO 0.13 -0.10 -0.06 0.22 -1.06 0.00 0.00 177.43 176.56 1pwu h TYR 243 N 0.10 -0.15 0.00 1.19 5.03 -0.73 -1.20 116.97 121.21 1pwu h TYR 243 Ca 0.27 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.57 1pwu h TYR 243 Cb 0.42 0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.76 1pwu h TYR 243 CO -0.35 -0.09 -0.07 0.52 -1.32 0.00 0.00 178.16 176.85 1pwu h MET 244 N -0.12 0.00 0.20 1.82 2.86 -0.34 -1.64 114.93 117.70 1pwu h MET 244 Ca 0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1pwu h MET 244 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1pwu h MET 244 CO -0.04 0.07 -0.10 0.22 1.06 0.00 0.00 176.91 178.12 1pwu h ASP 245 N 0.00 -0.23 -0.43 1.22 -0.00 0.18 -2.48 116.42 114.69 1pwu h ASP 245 Ca -0.00 -0.27 -0.08 0.00 -0.00 0.00 0.00 57.03 56.68 1pwu h ASP 245 Cb 0.35 0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 39.72 1pwu h ASP 245 CO 0.01 0.31 -0.01 0.11 -0.00 0.00 0.00 179.24 179.66 1pwu h LYS 246 N -0.93 0.84 -0.07 0.28 1.57 -1.20 -1.53 116.57 115.53 1pwu h LYS 246 Ca -0.03 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1pwu h LYS 246 Cb 0.49 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1pwu h LYS 246 CO 0.05 0.85 0.01 0.35 -0.57 0.00 0.00 179.45 180.13 1pwu h PHE 247 N 0.78 0.01 0.00 -1.35 3.57 -1.39 0.75 116.94 119.31 1pwu h PHE 247 Ca 0.15 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1pwu h PHE 247 Cb 0.48 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1pwu h PHE 247 CO 0.03 -0.00 -0.15 -0.91 -2.23 0.00 0.00 178.31 175.04 1pwu h ASN 248 N 0.03 0.00 -0.08 0.41 2.35 -1.40 0.32 115.58 117.22 1pwu h ASN 248 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1pwu h ASN 248 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1pwu h ASN 248 CO -0.05 0.12 0.00 -0.62 -1.65 0.00 0.00 177.43 175.23 1pwu n GLU 249 N -3.12 1.76 0.00 0.81 -0.58 -0.58 -4.82 120.64 114.11 1pwu n GLU 249 Ca 0.03 -1.72 0.00 0.00 -0.42 0.00 0.00 57.16 55.06 1pwu n GLU 249 Cb 0.58 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 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 1.09 0.00 0.28 3.49 6.02 0.21 -4.98 117.38 123.49 1pwu n GLN 250 Ca 0.12 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.12 1pwu n GLN 250 Cb 0.49 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.76 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 0.00 0.03 -0.20 -1.09 1.02 -0.92 -2.71 120.64 116.76 1pwu n GLU 251 Ca 0.00 0.87 0.06 0.00 -0.02 0.00 0.00 57.16 58.07 1pwu n GLU 251 Cb 0.00 -2.34 0.33 0.00 -0.02 0.00 0.00 31.44 29.41 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 1.03 0.00 -3.67 6.09 -0.58 -1.35 117.51 119.03 1pwu h ILE 252 Ca 0.02 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 1pwu h ILE 252 Cb 1.86 0.16 0.00 0.00 0.47 0.00 0.00 36.82 39.31 1pwu h ILE 252 CO -0.00 0.15 0.00 -0.55 -3.07 0.00 0.00 178.15 174.68 1pwu h ASN 253 N 0.80 0.00 0.41 2.19 -0.00 -1.80 -2.08 115.58 115.10 1pwu h ASN 253 Ca 0.32 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.47 1pwu h ASN 253 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.55 1pwu h ASN 253 CO -0.11 0.00 -0.63 -0.07 -0.00 0.00 0.00 177.43 176.62 1pwu h LEU 254 N 0.00 0.24 -0.19 6.14 3.38 -1.48 0.42 115.31 123.81 1pwu h LEU 254 Ca 0.00 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1pwu h LEU 254 Cb 0.65 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1pwu h LEU 254 CO 0.00 0.81 -0.31 0.28 0.09 0.00 0.00 178.44 179.31 1pwu h SER 255 N 0.15 0.61 -0.30 -0.43 0.02 -1.26 0.20 113.55 112.54 1pwu h SER 255 Ca -0.01 -0.53 -0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1pwu h SER 255 Cb 1.15 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 1pwu h SER 255 CO 0.10 1.02 0.18 0.25 -1.14 0.00 0.00 176.83 177.24 1pwu h LEU 256 N 0.22 0.36 -0.75 5.07 6.46 -1.30 0.23 115.31 125.60 1pwu h LEU 256 Ca 0.02 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1pwu h LEU 256 Cb 0.90 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.70 1pwu h LEU 256 CO 0.07 0.30 0.43 -0.08 -0.62 0.00 0.00 178.44 178.54 1pwu h GLU 257 N 0.39 1.03 -0.23 1.25 4.57 -0.82 -1.11 114.58 119.66 1pwu h GLU 257 Ca 0.11 -0.11 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 1pwu h GLU 257 Cb 0.01 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 1pwu h GLU 257 CO -0.02 0.75 -0.28 1.49 -1.18 0.00 0.00 179.01 179.77 1pwu h GLU 258 N 1.03 0.45 -0.26 1.92 4.81 -0.10 -1.04 114.58 121.39 1pwu h GLU 258 Ca 0.27 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1pwu h GLU 258 Cb 0.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1pwu h GLU 258 CO -0.05 0.69 -0.03 1.25 -0.73 0.00 0.00 179.01 180.14 1pwu h LEU 259 N 0.39 0.47 -1.38 1.64 5.85 -0.58 -2.86 115.31 118.84 1pwu h LEU 259 Ca 0.05 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.47 1pwu h LEU 259 Cb 0.69 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1pwu h LEU 259 CO 0.05 0.69 0.44 0.11 -0.34 0.00 0.00 178.44 179.40 1pwu h LYS 260 N 0.23 0.78 0.00 1.25 1.57 -0.87 -0.61 116.57 118.92 1pwu h LYS 260 Ca 0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1pwu h LYS 260 Cb 0.47 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1pwu h LYS 260 CO 0.02 0.52 0.00 -3.47 -0.57 0.00 0.00 179.45 175.95 1pwu n ASP 261 N -4.46 0.22 0.02 0.86 -0.08 -0.42 -1.74 116.55 110.95 1pwu n ASP 261 Ca 0.08 0.58 0.12 0.00 -1.51 0.00 0.00 54.79 54.05 1pwu n ASP 261 Cb 0.12 -0.62 0.12 0.00 2.34 0.00 0.00 41.12 43.09 1pwu n ASP 261 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pwu n GLN 262 N -1.77 0.15 -3.63 -0.67 1.13 -0.24 -4.84 117.38 107.52 1pwu n GLN 262 Ca 0.01 0.01 -0.36 0.00 -1.94 0.00 0.00 57.00 54.72 1pwu n GLN 262 Cb 0.10 -1.56 -0.09 0.00 0.11 0.00 0.00 30.24 28.81 1pwu n GLN 262 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1pwu s ARG 263 N -3.09 4.14 0.22 -1.09 0.52 -0.71 -5.00 118.95 113.92 1pwu s ARG 263 Ca 0.07 -0.15 -0.11 0.00 -0.52 0.00 0.00 55.73 55.02 1pwu s ARG 263 Cb 0.16 -3.50 0.30 0.00 0.52 0.00 0.00 34.95 32.43 1pwu s ARG 263 CO 0.76 0.13 1.65 1.98 0.02 0.00 0.00 175.30 179.83 1pwu h MET 264 N 7.19 0.08 -0.08 3.54 1.85 -1.91 -0.99 114.93 124.60 1pwu h MET 264 Ca -0.39 -0.00 -0.16 0.00 -0.61 0.00 0.00 59.70 58.54 1pwu h MET 264 Cb 1.16 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.17 1pwu h MET 264 CO 0.70 0.05 -0.65 -0.07 -0.40 0.00 0.00 176.91 176.55 1pwu h LEU 265 N 0.08 0.38 -0.31 3.39 -0.00 -1.94 -2.88 115.31 114.03 1pwu h LEU 265 Ca 0.33 -0.23 -0.13 0.00 -0.00 0.00 0.00 57.88 57.85 1pwu h LEU 265 Cb 0.53 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1pwu h LEU 265 CO -0.58 0.93 -0.32 0.28 -0.00 0.00 0.00 178.44 178.75 1pwu h SER 266 N 0.24 0.82 -0.99 -0.43 0.02 -1.70 0.10 113.55 111.61 1pwu h SER 266 Ca -0.01 -0.47 0.05 0.00 -0.84 0.00 0.00 61.79 60.51 1pwu h SER 266 Cb 1.19 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 63.43 1pwu h SER 266 CO 0.11 1.13 0.65 0.03 -1.14 0.00 0.00 176.83 177.60 1pwu h ARG 267 N 0.54 1.18 0.01 3.45 3.08 -1.18 -1.41 114.38 120.04 1pwu h ARG 267 Ca 0.05 -0.07 -0.20 0.00 0.07 0.00 0.00 59.98 59.83 1pwu h ARG 267 Cb 0.90 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1pwu h ARG 267 CO 0.08 0.78 -0.89 1.88 -1.07 0.00 0.00 179.97 180.75 1pwu h TYR 268 N 1.22 0.18 -0.21 3.04 -1.99 -1.32 -2.10 116.97 115.78 1pwu h TYR 268 Ca 0.41 -0.11 -0.17 0.00 2.00 0.00 0.00 58.73 60.86 1pwu h TYR 268 Cb 0.07 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.78 1pwu h TYR 268 CO -0.00 0.95 -0.53 1.49 -0.00 0.00 0.00 178.16 180.07 1pwu h GLU 269 N 0.06 0.73 -0.29 4.88 4.81 -0.59 -0.75 114.58 123.42 1pwu h GLU 269 Ca -0.03 -0.50 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1pwu h GLU 269 Cb 1.54 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.98 1pwu h GLU 269 CO 0.13 1.13 0.17 -0.22 -0.73 0.00 0.00 179.01 179.48 1pwu h LYS 270 N 0.45 0.40 -0.67 1.92 3.64 -1.28 -1.58 116.57 119.45 1pwu h LYS 270 Ca -0.01 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1pwu h LYS 270 Cb 1.14 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 1pwu h LYS 270 CO 0.11 0.33 0.43 2.35 -2.27 0.00 0.00 179.45 180.40 1pwu h TRP 271 N 0.36 0.81 -0.81 1.91 2.91 -1.34 -2.36 115.95 117.44 1pwu h TRP 271 Ca 0.10 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.11 1pwu h TRP 271 Cb 0.04 -0.27 -0.04 0.00 -0.51 0.00 0.00 29.16 28.38 1pwu h TRP 271 CO -0.04 0.49 0.38 0.93 -1.03 0.00 0.00 178.44 179.17 1pwu h GLU 272 N 0.86 1.18 -0.19 2.65 4.39 -0.75 -1.87 114.58 120.85 1pwu h GLU 272 Ca 0.26 -0.18 -0.16 0.00 0.34 0.00 0.00 59.36 59.61 1pwu h GLU 272 Cb -0.05 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 1pwu h GLU 272 CO -0.08 0.92 -0.56 0.87 -1.16 0.00 0.00 179.01 179.00 1pwu h LYS 273 N 1.16 0.58 -0.43 2.33 1.57 -1.06 -1.52 116.57 119.20 1pwu h LYS 273 Ca 0.28 -0.37 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 1pwu h LYS 273 Cb 0.14 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1pwu h LYS 273 CO -0.03 0.98 -0.07 0.82 -0.57 0.00 0.00 179.45 180.58 1pwu h ILE 274 N 0.44 1.27 -0.48 1.86 1.08 -1.33 -0.60 117.51 119.76 1pwu h ILE 274 Ca 0.01 -1.15 -0.05 0.00 -0.39 0.00 0.00 64.86 63.27 1pwu h ILE 274 Cb 1.11 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.98 1pwu h ILE 274 CO 0.11 0.39 0.07 0.50 -0.69 0.00 0.00 178.15 178.53 1pwu h LYS 275 N 0.63 0.74 -0.18 2.37 3.64 -1.27 -2.61 116.57 119.90 1pwu h LYS 275 Ca 0.11 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1pwu h LYS 275 Cb 0.59 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1pwu h LYS 275 CO 0.04 0.70 -0.11 0.37 -2.27 0.00 0.00 179.45 178.18 1pwu h GLN 276 N 0.71 0.39 0.00 1.90 4.15 -1.00 -1.20 115.11 120.06 1pwu h GLN 276 Ca 0.15 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1pwu h GLN 276 Cb 0.33 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1pwu h GLN 276 CO 0.01 0.71 0.00 1.25 -1.93 0.00 0.00 178.83 178.87 1pwu h HIS 277 N 0.06 0.00 -0.12 3.99 2.76 -0.84 -1.29 115.15 119.71 1pwu h HIS 277 Ca 0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1pwu h HIS 277 Cb 0.61 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.57 1pwu h HIS 277 CO 0.07 0.00 0.00 0.66 -1.30 0.00 0.00 177.93 177.36 1pwu n TYR 278 N -2.65 0.16 -0.08 5.26 4.02 -1.01 -4.74 117.16 118.12 1pwu n TYR 278 Ca -0.02 -0.35 -0.06 0.00 -0.01 0.00 0.00 57.90 57.45 1pwu n TYR 278 Cb 0.05 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 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 0.99 0.05 -0.09 -0.72 5.75 0.01 0.33 115.11 121.43 1pwu h GLN 279 Ca 0.00 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1pwu h GLN 279 Cb 0.50 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 1pwu h GLN 279 CO 0.00 0.04 -0.01 1.25 -2.65 0.00 0.00 178.83 177.46 1pwu h HIS 280 N 0.06 -0.02 -0.61 3.99 2.76 -1.85 0.72 115.15 120.19 1pwu h HIS 280 Ca 0.15 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.41 1pwu h HIS 280 Cb 0.21 0.02 -0.07 0.00 1.55 0.00 0.00 27.41 29.13 1pwu h HIS 280 CO -0.25 -0.02 0.26 2.35 -1.30 0.00 0.00 177.93 178.97 1pwu h TRP 281 N 0.02 0.46 -0.30 5.26 7.01 -1.73 -1.73 115.95 124.94 1pwu h TRP 281 Ca 0.04 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 1pwu h TRP 281 Cb 0.06 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 1pwu h TRP 281 CO -0.13 0.15 0.14 0.77 -2.79 0.00 0.00 178.44 176.58 1pwu h SER 282 N 0.47 0.40 0.57 2.65 0.02 0.13 -2.80 113.55 114.99 1pwu h SER 282 Ca 0.30 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1pwu h SER 282 Cb 0.33 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1pwu h SER 282 CO -0.27 0.42 0.00 0.47 -1.14 0.00 0.00 176.83 176.31 1pwu n ASP 283 N -4.77 0.52 -0.40 3.07 8.00 0.20 -2.59 116.55 120.58 1pwu n ASP 283 Ca -0.02 0.65 0.11 0.00 0.71 0.00 0.00 54.79 56.24 1pwu n ASP 283 Cb 0.11 -0.75 0.03 0.00 -0.02 0.00 0.00 41.12 40.49 1pwu n ASP 283 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1pwu n SER 284 N -2.10 1.76 -4.73 -2.24 3.41 -0.71 -4.97 113.62 104.05 1pwu n SER 284 Ca 0.02 -1.36 -0.42 0.00 -0.26 0.00 0.00 58.87 56.85 1pwu n SER 284 Cb 0.19 0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 64.61 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 -2.55 4.37 1.00 1.04 1.43 -1.07 -4.99 118.68 117.91 1pwu s LEU 285 Ca 0.18 2.70 -0.14 0.00 -1.03 0.00 0.00 54.13 55.83 1pwu s LEU 285 Cb 0.18 -3.60 0.19 0.00 0.03 0.00 0.00 46.19 42.99 1pwu s LEU 285 CO 0.61 -0.83 1.14 -0.94 0.23 0.00 0.00 176.35 176.56 1pwu s SER 286 N 0.92 2.68 0.42 2.29 1.04 -1.26 -4.86 113.70 114.93 1pwu s SER 286 Ca 0.68 0.84 0.21 0.00 0.48 0.00 0.00 55.95 58.16 1pwu s SER 286 Cb -0.45 -1.30 0.85 0.00 0.10 0.00 0.00 66.02 65.23 1pwu s SER 286 CO 0.36 -3.06 1.81 -0.08 0.98 0.00 0.00 173.24 173.24 1pwu h GLU 287 N -1.85 0.00 -0.25 4.02 4.81 -2.00 -2.57 114.58 116.75 1pwu h GLU 287 Ca -0.49 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.55 1pwu h GLU 287 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1pwu h GLU 287 CO 0.52 0.29 -0.55 1.49 -0.73 0.00 0.00 179.01 180.03 1pwu h GLU 288 N 0.00 0.81 0.30 1.92 4.81 -1.99 -1.53 114.58 118.91 1pwu h GLU 288 Ca -0.00 -0.54 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1pwu h GLU 288 Cb 0.77 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1pwu h GLU 288 CO 0.04 1.17 -0.22 0.78 -0.73 0.00 0.00 179.01 180.05 1pwu h GLY 289 N 0.57 -0.53 0.39 1.92 0.00 -1.82 0.78 103.07 104.38 1pwu h GLY 289 Ca 0.00 0.25 0.08 0.00 0.00 0.00 0.00 47.33 47.66 1pwu h GLY 289 CO 0.12 -0.21 0.13 3.21 0.00 0.00 0.00 176.54 179.78 1pwu h ARG 290 N -0.52 0.26 -0.84 4.80 3.08 -1.47 -0.04 114.38 119.66 1pwu h ARG 290 Ca -0.02 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.13 1pwu h ARG 290 Cb 0.45 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.36 1pwu h ARG 290 CO -0.00 0.18 0.46 0.78 -1.07 0.00 0.00 179.97 180.31 1pwu h GLY 291 N 0.27 1.33 0.92 0.04 0.00 -0.69 0.71 103.07 105.65 1pwu h GLY 291 Ca 0.25 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1pwu h GLY 291 CO -0.31 0.06 -0.31 1.41 0.00 0.00 0.00 176.54 177.39 1pwu h LEU 292 N 0.72 -0.74 -1.60 3.11 3.38 0.91 -0.09 115.31 121.00 1pwu h LEU 292 Ca 0.43 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.51 1pwu h LEU 292 Cb 0.49 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1pwu h LEU 292 CO -0.30 -0.47 0.44 -0.07 0.09 0.00 0.00 178.44 178.14 1pwu h LEU 293 N -0.96 0.39 -0.17 1.67 3.38 -0.67 -0.17 115.31 118.78 1pwu h LEU 293 Ca -0.09 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1pwu h LEU 293 Cb 0.69 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1pwu h LEU 293 CO 0.15 0.23 -0.23 0.50 0.09 0.00 0.00 178.44 179.17 1pwu h LYS 294 N 0.43 0.46 -0.70 1.13 3.64 -0.61 -2.79 116.57 118.12 1pwu h LYS 294 Ca 0.31 -0.26 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1pwu h LYS 294 Cb 0.63 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 1pwu h LYS 294 CO -0.09 0.85 0.46 -0.22 -2.27 0.00 0.00 179.45 178.18 1pwu h LYS 295 N 0.10 0.57 -0.19 1.90 3.64 0.57 0.71 116.57 123.87 1pwu h LYS 295 Ca 0.02 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1pwu h LYS 295 Cb 0.80 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1pwu h LYS 295 CO 0.05 0.38 -0.09 1.25 -2.27 0.00 0.00 179.45 178.77 1pwu h LEU 296 N 0.59 0.28 0.00 5.20 5.85 -0.87 -2.66 115.31 123.69 1pwu h LEU 296 Ca 0.32 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1pwu h LEU 296 Cb 0.48 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1pwu h LEU 296 CO -0.11 0.41 -0.78 0.00 -0.34 0.00 0.00 178.44 177.62 1pwu n GLN 297 N -4.29 0.32 -3.59 1.25 6.02 0.08 -4.68 117.38 112.50 1pwu n GLN 297 Ca -0.00 0.06 -0.29 0.00 -0.01 0.00 0.00 57.00 56.76 1pwu n GLN 297 Cb 0.25 -1.67 -0.13 0.00 1.02 0.00 0.00 30.24 29.71 1pwu n GLN 297 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1pwu s ILE 298 N -3.20 0.60 0.35 5.09 -1.09 -0.27 -5.11 121.20 117.58 1pwu s ILE 298 Ca 0.05 -1.78 -0.27 0.00 -2.23 0.00 0.00 60.65 56.42 1pwu s ILE 298 Cb 0.13 -1.44 -0.12 0.00 -1.58 0.00 0.00 42.46 39.45 1pwu s ILE 298 CO 0.75 -0.88 1.18 -2.65 -1.23 0.00 0.00 174.94 172.12 1pwu n PRO 299 N 4.19 1.82 -2.83 2.79 -0.02 -1.24 -4.67 135.00 135.03 1pwu n PRO 299 Ca 0.06 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 1pwu n PRO 299 Cb 0.38 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.12 4.76 0.45 4.25 -1.09 -0.90 -4.87 121.20 122.67 1pwu s ILE 300 Ca 0.58 1.58 -0.21 0.00 -2.23 0.00 0.00 60.65 60.37 1pwu s ILE 300 Cb -0.59 -4.19 -0.10 0.00 -1.58 0.00 0.00 42.46 35.99 1pwu s ILE 300 CO 0.61 -0.18 0.99 -1.61 -1.23 0.00 0.00 174.94 173.51 1pwu s GLU 301 N 3.03 4.05 0.22 2.79 0.41 -1.26 -0.86 118.70 127.09 1pwu s GLU 301 Ca 0.37 1.24 -0.30 0.00 -0.41 0.00 0.00 54.97 55.87 1pwu s GLU 301 Cb -0.15 -2.16 -0.09 0.00 -1.78 0.00 0.00 34.13 29.95 1pwu s GLU 301 CO 0.09 -0.20 1.28 -1.25 -0.49 0.00 0.00 175.26 174.70 1pwu s PRO 302 N -3.16 4.41 -0.15 0.39 0.04 -1.26 -4.94 135.00 130.32 1pwu s PRO 302 Ca 0.64 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.52 1pwu s PRO 302 Cb -0.13 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 1pwu s PRO 302 CO 0.16 -0.20 0.56 0.15 0.04 0.00 0.00 177.00 177.72 1pwu s LYS 303 N -0.45 4.29 0.24 4.56 1.02 -1.26 -4.96 119.74 123.18 1pwu s LYS 303 Ca 0.54 0.55 -0.05 0.00 0.02 0.00 0.00 55.97 57.04 1pwu s LYS 303 Cb -0.36 -3.51 0.46 0.00 -0.52 0.00 0.00 37.83 33.90 1pwu s LYS 303 CO 0.40 -0.04 1.68 0.87 -0.92 0.00 0.00 175.35 177.34 1pwu h LYS 304 N 7.10 0.23 0.07 1.68 6.56 -2.00 -2.42 116.57 127.79 1pwu h LYS 304 Ca -0.37 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.21 1pwu h LYS 304 Cb 1.17 -0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 32.77 1pwu h LYS 304 CO 0.76 0.15 -0.09 -0.44 -2.06 0.00 0.00 179.45 177.77 1pwu h ASP 305 N 0.23 -0.25 -0.97 0.86 5.19 -2.00 -2.22 116.42 117.27 1pwu h ASP 305 Ca 0.42 0.02 0.32 0.00 -0.62 0.00 0.00 57.03 57.17 1pwu h ASP 305 Cb 0.72 0.08 -0.16 0.00 0.18 0.00 0.00 39.33 40.15 1pwu h ASP 305 CO -0.54 -0.11 0.38 0.44 -3.12 0.00 0.00 179.24 176.30 1pwu h ASP 306 N -0.16 0.15 0.03 6.45 3.32 -1.92 -0.02 116.42 124.27 1pwu h ASP 306 Ca -0.01 0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1pwu h ASP 306 Cb 0.14 0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1pwu h ASP 306 CO -0.02 -0.27 -0.01 0.40 -1.72 0.00 0.00 179.24 177.62 1pwu h ILE 307 N 0.15 1.04 -0.26 0.35 1.08 -1.19 -3.00 117.51 115.69 1pwu h ILE 307 Ca 0.70 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 64.92 1pwu h ILE 307 Cb 1.63 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 36.56 1pwu h ILE 307 CO -0.72 0.06 0.05 0.40 -0.69 0.00 0.00 178.15 177.25 1pwu h ILE 308 N -0.14 1.22 0.00 -0.67 2.04 -0.41 -2.56 117.51 116.99 1pwu h ILE 308 Ca -0.00 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1pwu h ILE 308 Cb 0.12 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1pwu h ILE 308 CO 0.01 0.24 0.00 1.41 0.00 0.00 0.00 178.15 179.80 1pwu n HIS 309 N -4.69 0.00 0.12 1.37 8.25 -0.68 -1.24 115.22 118.34 1pwu n HIS 309 Ca -0.03 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.47 1pwu n HIS 309 Cb 0.19 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.38 1pwu n HIS 309 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1pwu n SER 310 N -0.90 2.20 -4.88 0.41 3.41 -0.97 -5.01 113.62 107.88 1pwu n SER 310 Ca 0.05 -1.67 -0.31 0.00 -0.26 0.00 0.00 58.87 56.68 1pwu n SER 310 Cb 0.02 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 1pwu n SER 310 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pwu s LEU 311 N -0.85 4.08 0.48 1.04 1.43 -0.37 -5.08 118.68 119.40 1pwu s LEU 311 Ca 0.14 0.90 -0.10 0.00 -1.03 0.00 0.00 54.13 54.04 1pwu s LEU 311 Cb 0.08 -3.71 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 1pwu s LEU 311 CO 0.11 -0.17 0.85 -0.94 0.23 0.00 0.00 176.35 176.44 1pwu s SER 312 N -2.74 6.40 0.26 2.29 1.04 -1.26 -4.81 113.70 114.89 1pwu s SER 312 Ca 0.47 1.19 -0.01 0.00 0.48 0.00 0.00 55.95 58.08 1pwu s SER 312 Cb -0.11 -2.35 0.54 0.00 0.10 0.00 0.00 66.02 64.20 1pwu s SER 312 CO 0.25 -0.57 1.74 1.56 0.98 0.00 0.00 173.24 177.21 1pwu h GLN 313 N 0.60 0.53 -0.37 4.02 1.08 -1.98 0.30 115.11 119.29 1pwu h GLN 313 Ca -0.46 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 56.62 1pwu h GLN 313 Cb 1.19 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.49 1pwu h GLN 313 CO 0.62 0.35 -0.13 1.49 -0.95 0.00 0.00 178.83 180.22 1pwu h GLU 314 N 0.55 0.66 -0.33 1.46 4.81 -1.99 -1.88 114.58 117.85 1pwu h GLU 314 Ca 0.46 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 1pwu h GLU 314 Cb 0.70 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1pwu h GLU 314 CO -0.40 0.76 -0.05 0.93 -0.73 0.00 0.00 179.01 179.53 1pwu h GLU 315 N 0.60 0.61 0.00 1.92 5.08 -0.99 -1.67 114.58 120.13 1pwu h GLU 315 Ca 0.10 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1pwu h GLU 315 Cb 0.56 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1pwu h GLU 315 CO 0.04 0.77 -0.01 0.87 -1.00 0.00 0.00 179.01 179.67 1pwu h LYS 316 N 0.40 0.00 0.06 2.33 1.57 -0.35 -1.65 116.57 118.93 1pwu h LYS 316 Ca 0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1pwu h LYS 316 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1pwu h LYS 316 CO 0.03 0.01 -0.03 1.49 -0.57 0.00 0.00 179.45 180.38 1pwu h GLU 317 N 0.00 -0.08 -0.74 3.15 4.57 -0.62 -3.11 114.58 117.75 1pwu h GLU 317 Ca -0.00 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 1pwu h GLU 317 Cb 0.04 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 1pwu h GLU 317 CO 0.00 0.50 0.49 -0.07 -1.18 0.00 0.00 179.01 178.75 1pwu h LEU 318 N -0.77 0.73 -1.10 1.64 4.07 -0.70 -1.49 115.31 117.69 1pwu h LEU 318 Ca -0.01 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 1pwu h LEU 318 Cb 0.62 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.17 1pwu h LEU 318 CO 0.01 0.49 0.30 0.25 -1.08 0.00 0.00 178.44 178.41 1pwu h LEU 319 N 0.84 0.85 -1.56 1.67 5.85 -1.39 -0.21 115.31 121.35 1pwu h LEU 319 Ca 0.31 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1pwu h LEU 319 Cb 0.15 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1pwu h LEU 319 CO -0.10 0.73 0.23 0.11 -0.34 0.00 0.00 178.44 179.07 1pwu h LYS 320 N 0.93 0.52 0.00 1.25 1.57 -1.19 -3.31 116.57 116.34 1pwu h LYS 320 Ca 0.23 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1pwu h LYS 320 Cb 0.12 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1pwu h LYS 320 CO -0.03 0.38 -0.26 2.89 -0.57 0.00 0.00 179.45 181.86 1pwu n ARG 321 N -4.45 5.31 -1.86 3.15 1.85 -1.10 -4.93 116.66 114.62 1pwu n ARG 321 Ca 0.03 -0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.46 1pwu n ARG 321 Cb 0.08 -0.69 -0.02 0.00 -1.05 0.00 0.00 32.46 30.79 1pwu n ARG 321 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 1pwu s ILE 322 N -1.39 2.28 -0.94 8.89 2.07 -0.11 -4.92 121.20 127.08 1pwu s ILE 322 Ca 0.01 0.24 -0.21 0.00 -1.41 0.00 0.00 60.65 59.28 1pwu s ILE 322 Cb 0.02 -3.15 0.09 0.00 0.13 0.00 0.00 42.46 39.55 1pwu s ILE 322 CO 0.12 0.04 1.23 -1.10 -1.91 0.00 0.00 174.94 173.33 1pwu s GLN 323 N -0.55 3.55 0.43 3.50 -1.52 -1.26 -4.88 119.66 118.92 1pwu s GLN 323 Ca 0.61 -1.41 0.12 0.00 -1.95 0.00 0.00 55.36 52.73 1pwu s GLN 323 Cb -0.46 -5.00 0.99 0.00 -0.22 0.00 0.00 33.01 28.33 1pwu s GLN 323 CO 0.47 -1.94 2.02 0.82 -0.25 0.00 0.00 175.29 176.40 1pwu h ILE 324 N 6.20 0.97 0.00 1.08 2.04 -1.97 -2.09 117.51 123.73 1pwu h ILE 324 Ca 0.12 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1pwu h ILE 324 Cb 1.02 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1pwu h ILE 324 CO 1.23 0.08 0.00 0.44 0.00 0.00 0.00 178.15 179.90 1pwu h ASP 325 N 0.43 0.00 -0.08 1.72 3.32 -1.96 -2.99 116.42 116.86 1pwu h ASP 325 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1pwu h ASP 325 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1pwu h ASP 325 CO -0.06 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.92 1pwu n SER 326 N -2.53 0.89 -4.62 6.45 3.41 -0.79 -4.78 113.62 111.65 1pwu n SER 326 Ca 0.01 -2.04 -0.36 0.00 -0.26 0.00 0.00 58.87 56.22 1pwu n SER 326 Cb 0.24 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 63.84 1pwu n SER 326 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1pwu s SER 327 N -0.63 5.92 -0.06 4.04 1.04 -1.13 -4.87 113.70 118.01 1pwu s SER 327 Ca 0.06 0.06 0.14 0.00 0.48 0.00 0.00 55.95 56.68 1pwu s SER 327 Cb 0.04 -2.07 0.51 0.00 0.10 0.00 0.00 66.02 64.60 1pwu s SER 327 CO 0.03 0.06 1.39 -0.90 0.98 0.00 0.00 173.24 174.79 1pwu n ASP 328 N 4.34 3.36 0.00 7.02 5.75 -1.26 -4.01 116.55 131.75 1pwu n ASP 328 Ca -0.15 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 1pwu n ASP 328 Cb 0.52 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 0.83 0.00 -4.79 2.11 1.16 -1.26 -5.03 117.46 110.48 1pwu n PHE 329 Ca 0.18 -0.27 -0.33 0.00 -1.87 0.00 0.00 57.45 55.16 1pwu n PHE 329 Cb 0.61 -0.03 -0.13 0.00 -1.61 0.00 0.00 39.48 38.33 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 -0.54 2.83 0.59 5.98 1.43 -1.26 -5.10 118.68 122.61 1pwu s LEU 330 Ca 0.00 -0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 1pwu s LEU 330 Cb 0.00 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1pwu s LEU 330 CO 0.00 0.29 1.03 -0.94 0.23 0.00 0.00 176.35 176.96 1pwu s SER 331 N -0.38 6.02 0.38 2.29 1.04 -1.26 -4.80 113.70 116.99 1pwu s SER 331 Ca 0.04 1.66 0.05 0.00 0.48 0.00 0.00 55.95 58.19 1pwu s SER 331 Cb -0.12 -2.51 0.76 0.00 0.10 0.00 0.00 66.02 64.24 1pwu s SER 331 CO 0.02 -1.00 2.03 0.71 0.98 0.00 0.00 173.24 175.98 1pwu h THR 332 N 0.30 1.13 -0.52 2.02 1.35 -1.99 0.31 112.91 115.51 1pwu h THR 332 Ca -0.46 -0.27 -0.07 0.00 -0.55 0.00 0.00 66.41 65.06 1pwu h THR 332 Cb 1.20 0.44 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 1pwu h THR 332 CO 0.59 0.13 0.06 -0.08 -0.25 0.00 0.00 175.52 175.97 1pwu h GLU 333 N 0.66 0.84 -0.08 4.72 4.81 -2.00 -0.47 114.58 123.07 1pwu h GLU 333 Ca 0.18 -0.20 -0.24 0.00 -0.13 0.00 0.00 59.36 58.96 1pwu h GLU 333 Cb -0.05 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 29.24 1pwu h GLU 333 CO -0.04 0.80 -0.90 0.93 -0.73 0.00 0.00 179.01 179.08 1pwu h GLU 334 N 0.79 0.75 -0.54 1.92 5.08 -1.62 -2.97 114.58 117.99 1pwu h GLU 334 Ca 0.16 -0.70 0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1pwu h GLU 334 Cb 0.39 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1pwu h GLU 334 CO 0.01 1.29 0.35 0.87 -1.00 0.00 0.00 179.01 180.54 1pwu h LYS 335 N 0.47 0.70 -0.92 2.33 1.57 -0.10 -1.34 116.57 119.28 1pwu h LYS 335 Ca -0.09 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1pwu h LYS 335 Cb 1.54 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.65 1pwu h LYS 335 CO 0.18 0.46 0.61 0.93 -0.57 0.00 0.00 179.45 181.06 1pwu h GLU 336 N 0.72 1.19 -0.34 3.15 4.39 -1.11 0.14 114.58 122.72 1pwu h GLU 336 Ca 0.20 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1pwu h GLU 336 Cb -0.06 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.30 1pwu h GLU 336 CO -0.05 0.79 0.13 0.35 -1.16 0.00 0.00 179.01 179.07 1pwu h PHE 337 N 1.23 0.52 0.04 4.33 3.57 -1.26 -2.77 116.94 122.60 1pwu h PHE 337 Ca 0.34 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 1pwu h PHE 337 Cb -0.12 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.47 1pwu h PHE 337 CO -0.01 0.49 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.47 1pwu h LEU 338 N 0.40 -0.05 -2.04 0.59 3.38 -0.76 -2.57 115.31 114.27 1pwu h LEU 338 Ca 0.11 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1pwu h LEU 338 Cb 0.20 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1pwu h LEU 338 CO -0.01 0.18 0.35 0.11 0.09 0.00 0.00 178.44 179.16 1pwu h LYS 339 N -0.27 0.00 0.10 1.13 1.57 -0.69 0.22 116.57 118.62 1pwu h LYS 339 Ca -0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1pwu h LYS 339 Cb 0.25 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.58 1pwu h LYS 339 CO 0.01 0.00 -0.70 0.87 -0.57 0.00 0.00 179.45 179.06 1pwu h LYS 340 N 0.00 0.30 -0.95 3.15 1.57 -1.17 -2.62 116.57 116.85 1pwu h LYS 340 Ca 0.07 -0.46 0.13 0.00 -1.87 0.00 0.00 60.65 58.52 1pwu h LYS 340 Cb 0.77 0.16 -0.09 0.00 0.08 0.00 0.00 32.23 33.15 1pwu h LYS 340 CO -0.00 1.19 0.57 -0.07 -0.57 0.00 0.00 179.45 180.57 1pwu h LEU 341 N -0.35 0.82 -0.82 2.94 3.38 -0.29 0.33 115.31 121.31 1pwu h LEU 341 Ca -0.11 0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1pwu h LEU 341 Cb 1.51 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 42.12 1pwu h LEU 341 CO 0.13 0.42 0.54 -0.61 0.09 0.00 0.00 178.44 179.01 1pwu h GLN 342 N 0.89 1.06 -0.45 1.13 4.15 -1.21 -0.56 115.11 120.12 1pwu h GLN 342 Ca 0.48 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.82 1pwu h GLN 342 Cb 0.53 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1pwu h GLN 342 CO -0.29 0.70 0.21 0.82 -1.93 0.00 0.00 178.83 178.35 1pwu h ILE 343 N 1.10 1.18 -0.75 2.39 1.08 -0.09 0.11 117.51 122.53 1pwu h ILE 343 Ca 0.31 -0.53 0.04 0.00 -0.39 0.00 0.00 64.86 64.28 1pwu h ILE 343 Cb -0.10 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 34.31 1pwu h ILE 343 CO -0.08 0.20 0.47 0.44 -0.69 0.00 0.00 178.15 178.50 1pwu h ASP 344 N 0.58 0.77 0.34 1.72 3.32 0.11 -0.44 116.42 122.83 1pwu h ASP 344 Ca 0.15 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1pwu h ASP 344 Cb 0.13 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1pwu h ASP 344 CO -0.02 0.53 -0.16 0.40 -1.72 0.00 0.00 179.24 178.26 1pwu h ILE 345 N 0.91 0.00 0.00 0.35 1.08 -0.85 -3.25 117.51 115.75 1pwu h ILE 345 Ca 0.31 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1pwu h ILE 345 Cb 0.04 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.79 1pwu h ILE 345 CO -0.12 0.00 0.11 0.54 -0.69 0.00 0.00 178.15 177.99 1pwu n ARG 346 N -4.45 0.05 0.00 2.37 1.74 0.35 -2.06 116.66 114.67 1pwu n ARG 346 Ca -0.06 0.49 0.05 0.00 -0.77 0.00 0.00 57.85 57.57 1pwu n ARG 346 Cb 0.18 -1.77 0.29 0.00 -1.02 0.00 0.00 32.46 30.15 1pwu n ARG 346 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1pwu n ASP 347 N -1.73 0.00 -4.19 0.55 -0.08 -0.18 -4.78 116.55 106.15 1pwu n ASP 347 Ca -0.00 -0.98 -0.25 0.00 -1.51 0.00 0.00 54.79 52.04 1pwu n ASP 347 Cb 0.12 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.43 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 -1.66 2.20 -0.05 1.67 0.15 -0.87 -5.01 113.70 110.12 1pwu s SER 348 Ca 0.15 -0.36 -0.04 0.00 0.70 0.00 0.00 55.95 56.40 1pwu s SER 348 Cb 0.07 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.16 1pwu s SER 348 CO 0.11 0.22 0.08 0.18 1.20 0.00 0.00 173.24 175.04 1pwu n LEU 349 N 2.53 -5.51 0.00 3.45 4.77 -1.26 -4.67 117.00 116.31 1pwu n LEU 349 Ca -0.15 2.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.92 1pwu n LEU 349 Cb 0.54 -2.80 0.00 0.00 -2.33 0.00 0.00 43.42 38.83 1pwu n LEU 349 CO 0.24 -2.69 0.12 -1.20 -1.33 0.00 0.00 177.39 172.52 1pwu n SER 350 N 1.41 0.00 -0.09 -1.43 7.64 -1.26 -2.12 113.62 117.77 1pwu n SER 350 Ca -0.14 0.23 -0.02 0.00 1.01 0.00 0.00 58.87 59.95 1pwu n SER 350 Cb 0.22 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.40 1pwu n SER 350 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1pwu n GLU 351 N -0.42 -0.09 -0.15 1.43 2.13 -1.26 0.18 120.64 122.47 1pwu n GLU 351 Ca 0.00 0.41 -0.07 0.00 0.66 0.00 0.00 57.16 58.16 1pwu n GLU 351 Cb 0.00 -0.60 0.02 0.00 0.27 0.00 0.00 31.44 31.12 1pwu n GLU 351 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1pwu h GLU 352 N 0.00 0.56 -0.09 5.31 4.81 -1.93 0.25 114.58 123.49 1pwu h GLU 352 Ca 0.03 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1pwu h GLU 352 Cb 0.09 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1pwu h GLU 352 CO -0.20 0.37 -0.46 1.49 -0.73 0.00 0.00 179.01 179.49 1pwu h GLU 353 N 0.58 -0.49 -0.68 1.92 4.81 0.25 3.48 114.58 124.45 1pwu h GLU 353 Ca 0.18 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.57 1pwu h GLU 353 Cb -0.02 0.11 -0.10 0.00 0.63 0.00 0.00 28.75 29.37 1pwu h GLU 353 CO -0.06 -0.33 0.19 -0.22 -0.73 0.00 0.00 179.01 177.86 1pwu h LYS 354 N -0.51 0.30 0.36 1.92 1.63 -0.45 -1.96 116.57 117.87 1pwu h LYS 354 Ca 0.02 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1pwu h LYS 354 Cb 0.58 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1pwu h LYS 354 CO -0.35 0.20 -0.17 1.49 -3.45 0.00 0.00 179.45 177.16 1pwu h GLU 355 N 0.31 -0.47 -1.12 1.90 4.57 0.51 -3.30 114.58 116.98 1pwu h GLU 355 Ca 0.37 0.03 0.32 0.00 -1.18 0.00 0.00 59.36 58.90 1pwu h GLU 355 Cb 0.58 0.11 -0.10 0.00 -0.16 0.00 0.00 28.75 29.17 1pwu h GLU 355 CO -0.43 -0.16 0.73 1.25 -1.18 0.00 0.00 179.01 179.21 1pwu h LEU 356 N -0.97 0.37 -8.72 1.64 5.85 0.67 -3.50 115.31 110.64 1pwu h LEU 356 Ca -0.05 0.09 -0.58 0.00 0.84 0.00 0.00 57.88 58.19 1pwu h LEU 356 Cb 0.52 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.51 1pwu h LEU 356 CO 0.08 0.01 0.76 -0.22 -0.34 0.00 0.00 178.44 178.73 1pwu s LEU 357 N -9.54 3.83 0.00 2.25 2.96 -0.75 -5.00 118.68 112.42 1pwu s LEU 357 Ca -0.08 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 1pwu s LEU 357 Cb 0.26 -3.39 0.00 0.00 0.50 0.00 0.00 46.19 43.57 1pwu s LEU 357 CO 0.80 -1.12 0.00 -3.20 -1.32 0.00 0.00 176.35 171.51 1pwu n ASN 366 N 7.43 0.00 0.00 3.68 2.85 -1.26 -5.13 115.26 122.84 1pwu n ASN 366 Ca 0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1pwu n ASN 366 Cb 0.49 -0.24 0.00 0.00 1.24 0.00 0.00 39.78 41.27 1pwu n ASN 366 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1pwu n PRO 367 N -1.97 3.06 -3.65 1.20 -0.02 -1.26 -5.05 135.00 127.31 1pwu n PRO 367 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 1pwu n PRO 367 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.35 1pwu n PRO 367 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pwu s LEU 368 N 0.00 -0.28 0.60 2.45 1.43 -1.26 -5.01 118.68 116.61 1pwu s LEU 368 Ca 0.00 0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 53.45 1pwu s LEU 368 Cb 0.00 0.65 -0.05 0.00 0.03 0.00 0.00 46.19 46.82 1pwu s LEU 368 CO 0.00 -0.24 0.97 -1.54 0.23 0.00 0.00 176.35 175.77 1pwu n SER 369 N 5.35 0.81 0.20 2.29 3.41 -1.26 -4.74 113.62 119.67 1pwu n SER 369 Ca -0.06 0.81 0.14 0.00 -0.26 0.00 0.00 58.87 59.50 1pwu n SER 369 Cb 0.50 -1.39 0.71 0.00 -0.26 0.00 0.00 64.21 63.76 1pwu n SER 369 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1pwu h GLU 370 N 0.53 0.00 0.20 4.33 4.39 -2.01 -1.32 114.58 120.70 1pwu h GLU 370 Ca -0.48 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 58.95 1pwu h GLU 370 Cb 1.36 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 30.04 1pwu h GLU 370 CO 0.51 0.00 -1.17 0.87 -1.16 0.00 0.00 179.01 178.06 1pwu h LYS 371 N 0.00 0.42 -0.69 2.33 1.79 -1.99 -2.90 116.57 115.53 1pwu h LYS 371 Ca 0.00 -0.72 -0.06 0.00 -2.18 0.00 0.00 60.65 57.68 1pwu h LYS 371 Cb 0.09 0.27 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 1pwu h LYS 371 CO 0.00 1.35 0.19 0.93 -1.08 0.00 0.00 179.45 180.84 1pwu h GLU 372 N -0.11 1.09 0.03 3.15 5.08 -1.61 -1.74 114.58 120.48 1pwu h GLU 372 Ca -0.21 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1pwu h GLU 372 Cb 1.92 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 31.01 1pwu h GLU 372 CO 0.21 0.96 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.94 1pwu h LYS 373 N 1.03 -0.05 0.00 2.33 3.64 -1.45 -0.92 116.57 121.15 1pwu h LYS 373 Ca 0.22 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1pwu h LYS 373 Cb 0.34 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1pwu h LYS 373 CO -0.00 -0.03 -0.08 1.49 -2.27 0.00 0.00 179.45 178.56 1pwu h GLU 374 N -0.05 0.00 0.13 1.90 4.81 -1.33 -1.83 114.58 118.22 1pwu h GLU 374 Ca -0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.94 1pwu h GLU 374 Cb 0.04 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.44 1pwu h GLU 374 CO 0.00 0.08 -1.24 0.35 -0.73 0.00 0.00 179.01 177.47 1pwu h PHE 375 N 0.00 0.73 -0.11 0.92 3.57 -0.56 -2.98 116.94 118.50 1pwu h PHE 375 Ca -0.00 -0.49 -0.16 0.00 3.53 0.00 0.00 57.97 60.85 1pwu h PHE 375 Cb 0.20 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1pwu h PHE 375 CO 0.00 1.36 -0.61 -0.07 -2.23 0.00 0.00 178.31 176.76 1pwu h LEU 376 N 0.16 0.44 -1.16 0.59 3.38 -0.75 -0.92 115.31 117.05 1pwu h LEU 376 Ca -0.16 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 1pwu h LEU 376 Cb 1.94 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 1pwu h LEU 376 CO 0.22 0.94 -0.20 0.11 0.09 0.00 0.00 178.44 179.61 1pwu h LYS 377 N 0.29 0.35 -0.10 1.13 1.57 -1.40 0.19 116.57 118.59 1pwu h LYS 377 Ca -0.01 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 58.51 1pwu h LYS 377 Cb 1.14 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.42 1pwu h LYS 377 CO 0.10 0.54 -0.56 0.87 -0.57 0.00 0.00 179.45 179.83 1pwu h LYS 378 N 0.32 0.56 -0.09 3.15 1.57 -1.33 -3.12 116.57 117.62 1pwu h LYS 378 Ca 0.06 -0.47 -0.02 0.00 -1.87 0.00 0.00 60.65 58.35 1pwu h LYS 378 Cb 0.53 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1pwu h LYS 378 CO 0.04 1.09 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.90 1pwu h LEU 379 N 0.18 0.12 0.03 2.94 3.38 -0.69 -2.83 115.31 118.44 1pwu h LEU 379 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1pwu h LEU 379 Cb 1.21 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1pwu h LEU 379 CO 0.12 0.19 -0.03 0.50 0.09 0.00 0.00 178.44 179.30 1pwu h LYS 380 N 0.13 -0.07 -0.60 1.13 3.64 -0.58 -2.46 116.57 117.76 1pwu h LYS 380 Ca 0.03 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1pwu h LYS 380 Cb 0.16 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1pwu h LYS 380 CO 0.01 -0.05 0.30 -0.07 -2.27 0.00 0.00 179.45 177.37 1pwu h LEU 381 N -0.07 0.77 -0.19 5.20 3.38 -1.53 -3.12 115.31 119.76 1pwu h LEU 381 Ca 0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1pwu h LEU 381 Cb 0.08 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1pwu h LEU 381 CO -0.02 0.67 0.00 0.47 0.09 0.00 0.00 178.44 179.66 1pwu n ASP 382 N -4.54 0.37 -1.07 -0.43 8.00 -1.14 -3.16 116.55 114.58 1pwu n ASP 382 Ca 0.04 0.56 0.11 0.00 0.71 0.00 0.00 54.79 56.21 1pwu n ASP 382 Cb 0.11 -0.65 0.21 0.00 -0.02 0.00 0.00 41.12 40.77 1pwu n ASP 382 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1pwu n ILE 383 N -1.88 0.58 -2.43 0.53 -5.35 -0.94 -4.96 119.36 104.91 1pwu n ILE 383 Ca 0.04 -0.79 -0.40 0.00 -0.27 0.00 0.00 62.75 61.34 1pwu n ILE 383 Cb 0.29 0.90 -0.04 0.00 -1.74 0.00 0.00 39.64 39.04 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 -1.33 4.52 0.68 6.28 -1.52 -1.19 -4.62 119.66 122.48 1pwu s GLN 384 Ca 0.36 1.82 -0.15 0.00 -1.95 0.00 0.00 55.36 55.44 1pwu s GLN 384 Cb 0.21 -3.07 0.01 0.00 -0.22 0.00 0.00 33.01 29.94 1pwu s GLN 384 CO 0.29 0.10 1.16 -2.14 -0.25 0.00 0.00 175.29 174.44 1pwu s PRO 385 N -1.65 2.55 -0.75 2.91 0.02 -1.26 -4.71 135.00 132.11 1pwu s PRO 385 Ca 0.47 1.59 -0.24 0.00 0.02 0.00 0.00 61.00 62.84 1pwu s PRO 385 Cb -0.32 -1.90 0.06 0.00 0.02 0.00 0.00 34.50 32.36 1pwu s PRO 385 CO 0.41 -1.48 1.15 -0.47 -0.33 0.00 0.00 177.00 176.28 1pwu s TYR 386 N -2.11 2.55 -0.30 6.54 5.04 -0.04 -4.93 117.35 124.11 1pwu s TYR 386 Ca 0.71 -0.48 0.02 0.00 -2.44 0.00 0.00 57.07 54.89 1pwu s TYR 386 Cb -0.25 -4.46 0.08 0.00 0.35 0.00 0.00 41.96 37.68 1pwu s TYR 386 CO 0.42 -1.83 0.01 0.34 -1.34 0.00 0.00 175.55 173.15 1pwu s ASP 387 N 3.84 4.39 0.16 4.32 -1.08 -1.26 -2.13 116.67 124.91 1pwu s ASP 387 Ca 0.30 -1.73 -0.16 0.00 -0.52 0.00 0.00 52.55 50.45 1pwu s ASP 387 Cb -0.11 -1.39 0.08 0.00 -1.46 0.00 0.00 42.92 40.05 1pwu s ASP 387 CO 0.08 -0.32 1.74 0.40 0.52 0.00 0.00 175.17 177.59 1pwu h ILE 388 N 6.63 0.85 -0.22 4.11 2.04 -1.88 -1.35 117.51 127.70 1pwu h ILE 388 Ca -0.11 -0.09 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 1pwu h ILE 388 Cb 1.03 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1pwu h ILE 388 CO 0.48 0.05 -0.30 0.78 0.00 0.00 0.00 178.15 179.16 1pwu h ASN 389 N 0.25 0.45 -0.02 1.72 2.35 -1.95 -2.44 115.58 115.94 1pwu h ASN 389 Ca 0.18 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 1pwu h ASN 389 Cb 0.18 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1pwu h ASN 389 CO -0.20 0.74 -0.10 -0.61 -1.65 0.00 0.00 177.43 175.61 1pwu h GLN 390 N 0.39 0.27 -0.17 0.81 5.75 -1.83 -1.78 115.11 118.55 1pwu h GLN 390 Ca 0.05 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 1pwu h GLN 390 Cb 0.72 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.23 1pwu h GLN 390 CO 0.06 0.38 -0.10 -0.09 -2.65 0.00 0.00 178.83 176.42 1pwu h ARG 391 N 0.25 0.37 -0.77 1.69 1.12 -0.82 -0.59 114.38 115.64 1pwu h ARG 391 Ca 0.05 -0.17 -0.04 0.00 -1.11 0.00 0.00 59.98 58.71 1pwu h ARG 391 Cb 0.34 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.26 1pwu h ARG 391 CO 0.02 0.69 0.32 -0.07 -3.11 0.00 0.00 179.97 177.82 1pwu h LEU 392 N 0.05 1.05 -0.01 3.80 3.38 -1.16 -2.33 115.31 120.09 1pwu h LEU 392 Ca 0.04 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1pwu h LEU 392 Cb 0.59 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1pwu h LEU 392 CO 0.03 0.93 -0.00 -0.61 0.09 0.00 0.00 178.44 178.87 1pwu h GLN 393 N 1.10 0.03 0.00 1.13 4.15 -1.25 0.62 115.11 120.88 1pwu h GLN 393 Ca 0.26 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.65 1pwu h GLN 393 Cb 0.20 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 1pwu h GLN 393 CO -0.02 0.39 -0.07 -0.44 -1.93 0.00 0.00 178.83 176.75 1pwu h ASP 394 N -0.34 0.00 -0.01 -0.69 3.32 -1.07 -2.28 116.42 115.35 1pwu h ASP 394 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pwu h ASP 394 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1pwu h ASP 394 CO 0.00 0.07 -0.30 0.35 -1.72 0.00 0.00 179.24 177.64 1pwu n THR 395 N -4.09 0.00 -3.05 0.35 -2.24 -0.88 -2.11 114.28 102.26 1pwu n THR 395 Ca -0.03 -0.35 -0.22 0.00 -2.27 0.00 0.00 64.05 61.19 1pwu n THR 395 Cb 0.16 1.21 0.01 0.00 -2.10 0.00 0.00 70.33 69.61 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 1.13 -0.51 1.27 3.38 0.00 0.20 -1.15 105.19 109.51 1pwu n GLY 396 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.29 3.32 2.82 -0.02 0.00 -0.19 -4.89 105.19 104.95 1pwu n GLY 397 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 5.66 0.29 0.99 7.99 -0.30 -4.70 117.00 126.92 1pwu n LEU 398 Ca 0.00 -3.48 0.19 0.00 -0.01 0.00 0.00 56.01 52.71 1pwu n LEU 398 Cb 0.00 -1.35 1.01 0.00 -0.11 0.00 0.00 43.42 42.97 1pwu n LEU 398 CO 0.00 0.53 1.08 0.16 -1.51 0.00 0.00 177.39 177.65 1pwu h ILE 399 N 4.02 0.00 -0.00 -0.08 3.07 -1.92 0.26 117.51 122.86 1pwu h ILE 399 Ca 0.53 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.88 1pwu h ILE 399 Cb 0.55 0.93 0.00 0.00 -0.27 0.00 0.00 36.82 38.04 1pwu h ILE 399 CO 1.85 0.00 -0.14 0.47 -1.05 0.00 0.00 178.15 179.29 1pwu n ASP 400 N -2.87 0.36 -4.68 2.16 10.43 -1.26 -4.85 116.55 115.84 1pwu n ASP 400 Ca -0.02 -0.31 -0.55 0.00 2.57 0.00 0.00 54.79 56.48 1pwu n ASP 400 Cb 0.09 -0.12 -0.07 0.00 1.84 0.00 0.00 41.12 42.87 1pwu n ASP 400 CO 0.00 0.00 0.00 -0.24 -1.07 0.00 0.00 177.20 175.89 1pwu n SER 401 N -1.15 2.61 -0.98 -2.24 2.88 0.08 -4.79 113.62 110.03 1pwu n SER 401 Ca 0.12 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1pwu n SER 401 Cb 0.29 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1pwu n SER 401 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1pwu n PRO 402 N 5.98 0.35 0.00 -1.46 -0.04 -1.26 -4.20 135.00 134.36 1pwu n PRO 402 Ca 0.27 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.85 1pwu n PRO 402 Cb 0.17 -1.32 0.52 0.00 -0.04 0.00 0.00 33.50 32.83 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 0.81 0.00 -4.16 3.54 3.41 -1.26 -4.83 113.62 111.13 1pwu n SER 403 Ca 0.00 0.39 -0.10 0.00 -0.26 0.00 0.00 58.87 58.90 1pwu n SER 403 Cb 0.17 -0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 63.56 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 -2.91 0.44 0.31 -1.33 -4.36 -1.26 -4.95 121.20 107.13 1pwu s ILE 404 Ca 0.14 -1.91 -0.29 0.00 -0.26 0.00 0.00 60.65 58.33 1pwu s ILE 404 Cb 0.15 -1.80 -0.13 0.00 1.25 0.00 0.00 42.46 41.94 1pwu s ILE 404 CO 0.41 -0.74 1.32 0.59 0.24 0.00 0.00 174.94 176.76 1pwu n ASN 405 N -0.05 2.70 -0.32 4.36 3.02 -1.26 -4.73 115.26 118.97 1pwu n ASN 405 Ca -0.10 1.18 0.13 0.00 -0.03 0.00 0.00 54.58 55.77 1pwu n ASN 405 Cb 0.62 -1.46 0.28 0.00 -0.61 0.00 0.00 39.78 38.61 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 3.09 -0.30 0.19 3.41 5.85 -1.98 -1.58 115.31 123.98 1pwu h LEU 406 Ca -0.45 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1pwu h LEU 406 Cb 1.28 0.40 0.00 0.00 0.37 0.00 0.00 40.66 42.71 1pwu h LEU 406 CO 0.67 -0.28 -0.09 -2.24 -0.34 0.00 0.00 178.44 176.16 1pwu h ASP 407 N 0.07 -0.22 0.17 1.25 2.03 -1.99 -0.96 116.42 116.78 1pwu h ASP 407 Ca 0.57 -0.10 -0.03 0.00 -0.73 0.00 0.00 57.03 56.73 1pwu h ASP 407 Cb 1.16 0.06 -0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1pwu h ASP 407 CO -0.81 -0.03 -0.16 0.58 -1.03 0.00 0.00 179.24 177.79 1pwu h VAL 408 N -0.39 1.10 -0.51 4.15 2.07 -1.80 -0.52 116.25 120.35 1pwu h VAL 408 Ca -0.03 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 1pwu h VAL 408 Cb 0.30 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1pwu h VAL 408 CO 0.04 0.16 0.01 -0.09 0.02 0.00 0.00 177.57 177.71 1pwu h ARG 409 N 0.00 0.91 -0.10 1.57 2.43 -0.99 -2.14 114.38 116.06 1pwu h ARG 409 Ca -0.00 -0.29 -0.16 0.00 -0.81 0.00 0.00 59.98 58.72 1pwu h ARG 409 Cb 0.29 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1pwu h ARG 409 CO 0.02 0.93 -0.64 0.87 -1.51 0.00 0.00 179.97 179.64 1pwu h LYS 410 N 0.77 0.37 -0.01 0.20 1.57 -0.21 -2.38 116.57 116.89 1pwu h LYS 410 Ca 0.15 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1pwu h LYS 410 Cb 0.52 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1pwu h LYS 410 CO 0.03 0.89 0.00 0.37 -0.57 0.00 0.00 179.45 180.17 1pwu h GLN 411 N 0.27 0.01 -0.69 3.15 4.15 -0.94 -1.87 115.11 119.18 1pwu h GLN 411 Ca -0.01 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.43 1pwu h GLN 411 Cb 1.18 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.83 1pwu h GLN 411 CO 0.11 0.02 0.44 1.88 -1.93 0.00 0.00 178.83 179.35 1pwu h TYR 412 N -0.00 0.82 -0.89 3.99 0.99 -1.36 -1.86 116.97 118.67 1pwu h TYR 412 Ca 0.00 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 1pwu h TYR 412 Cb 0.01 -0.27 -0.04 0.00 1.00 0.00 0.00 36.73 37.43 1pwu h TYR 412 CO -0.07 0.48 0.46 -0.22 -0.00 0.00 0.00 178.16 178.81 1pwu h LYS 413 N 0.87 1.25 0.35 4.88 3.64 -1.17 -0.64 116.57 125.75 1pwu h LYS 413 Ca 0.27 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1pwu h LYS 413 Cb -0.01 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1pwu h LYS 413 CO -0.10 0.93 -0.17 -0.09 -2.27 0.00 0.00 179.45 177.76 1pwu h ARG 414 N 1.25 -0.45 -0.73 1.90 2.43 -0.97 -1.37 114.38 116.45 1pwu h ARG 414 Ca 0.31 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.60 1pwu h ARG 414 Cb 0.06 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.64 1pwu h ARG 414 CO -0.05 -0.15 0.37 -0.44 -1.51 0.00 0.00 179.97 178.19 1pwu h ASP 415 N -0.75 0.48 -0.49 -3.80 3.32 -1.27 -1.83 116.42 112.08 1pwu h ASP 415 Ca -0.05 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1pwu h ASP 415 Cb 0.51 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1pwu h ASP 415 CO 0.08 0.27 0.20 0.40 -1.72 0.00 0.00 179.24 178.48 1pwu h ILE 416 N 0.62 1.21 0.00 0.35 2.04 -1.02 -0.34 117.51 120.37 1pwu h ILE 416 Ca 0.36 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1pwu h ILE 416 Cb 0.38 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1pwu h ILE 416 CO -0.27 0.24 0.00 1.56 0.00 0.00 0.00 178.15 179.68 1pwu h GLN 417 N 0.65 0.00 0.16 2.37 4.20 -0.77 -1.26 115.11 120.45 1pwu h GLN 417 Ca 0.16 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.62 1pwu h GLN 417 Cb 0.18 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.97 1pwu h GLN 417 CO -0.02 0.00 -1.18 -0.91 -0.67 0.00 0.00 178.83 176.05 1pwu h ASN 418 N 0.00 0.52 -0.02 1.46 2.35 -0.84 -2.94 115.58 116.11 1pwu h ASN 418 Ca 0.00 -0.92 -0.05 0.00 -0.55 0.00 0.00 56.30 54.79 1pwu h ASN 418 Cb 0.48 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1pwu h ASN 418 CO 0.00 1.55 -0.10 0.40 -1.65 0.00 0.00 177.43 177.63 1pwu h ILE 419 N -0.23 1.17 -0.14 2.81 2.04 -0.84 -0.48 117.51 121.85 1pwu h ILE 419 Ca -0.23 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 1pwu h ILE 419 Cb 1.80 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 1pwu h ILE 419 CO 0.15 0.24 0.05 0.44 0.00 0.00 0.00 178.15 179.03 1pwu h ASP 420 N 0.27 0.19 0.19 1.72 3.32 -1.29 -1.96 116.42 118.86 1pwu h ASP 420 Ca 0.06 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1pwu h ASP 420 Cb 0.35 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1pwu h ASP 420 CO 0.02 0.30 -0.12 0.00 -1.72 0.00 0.00 179.24 177.72 1pwu h ALA 421 N 0.90 1.57 -0.07 3.45 0.00 -1.17 -2.79 119.26 121.15 1pwu h ALA 421 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1pwu h ALA 421 Cb 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pwu h ALA 421 CO -0.00 0.15 -0.00 1.25 0.00 0.00 0.00 179.25 180.64 1pwu h LEU 422 N 0.00 0.12 -6.62 0.00 5.85 -0.52 -3.36 115.31 110.78 1pwu h LEU 422 Ca -0.00 -0.33 -0.73 0.00 0.84 0.00 0.00 57.88 57.66 1pwu h LEU 422 Cb 0.24 -0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.13 1pwu h LEU 422 CO 0.02 0.42 2.31 0.18 -0.34 0.00 0.00 178.44 181.03 1pwu n LEU 423 N -4.85 6.35 -0.08 2.25 4.77 -0.79 -4.57 117.00 120.08 1pwu n LEU 423 Ca -0.07 -4.38 -0.08 0.00 -0.03 0.00 0.00 56.01 51.45 1pwu n LEU 423 Cb 0.20 -1.58 -0.13 0.00 -2.33 0.00 0.00 43.42 39.58 1pwu n LEU 423 CO 0.35 1.08 -1.03 0.00 -1.33 0.00 0.00 177.39 176.45 1pwu n HIS 424 N 5.30 0.00 -1.97 -1.77 1.44 -1.26 -4.61 115.22 112.34 1pwu n HIS 424 Ca 0.44 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.73 1pwu n HIS 424 Cb 0.39 -0.80 -0.03 0.00 0.12 0.00 0.00 29.99 29.67 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 -2.42 3.87 0.92 -1.40 -0.44 -1.26 -4.86 119.66 114.06 1pwu s GLN 425 Ca -0.08 1.96 -0.12 0.00 -2.50 0.00 0.00 55.36 54.62 1pwu s GLN 425 Cb 0.05 -4.08 0.14 0.00 -1.64 0.00 0.00 33.01 27.49 1pwu s GLN 425 CO 0.68 -1.22 1.10 -1.54 0.50 0.00 0.00 175.29 174.80 1pwu s SER 426 N 4.47 3.33 0.06 6.67 1.04 -1.26 -2.43 113.70 125.58 1pwu s SER 426 Ca 0.77 1.30 0.10 0.00 0.48 0.00 0.00 55.95 58.60 1pwu s SER 426 Cb -0.30 -1.97 -0.20 0.00 0.10 0.00 0.00 66.02 63.65 1pwu s SER 426 CO 0.31 -2.70 1.04 -0.29 0.98 0.00 0.00 173.24 172.58 1pwu h ILE 427 N -1.60 1.29 -1.89 -1.02 6.09 -1.34 -3.45 117.51 115.59 1pwu h ILE 427 Ca -0.51 -3.03 -0.63 0.00 -1.37 0.00 0.00 64.86 59.32 1pwu h ILE 427 Cb 1.30 2.63 0.12 0.00 0.47 0.00 0.00 36.82 41.35 1pwu h ILE 427 CO 0.57 0.74 -0.31 0.61 -3.07 0.00 0.00 178.15 176.69 1pwu n GLY 428 N 1.42 -1.26 3.64 8.18 0.00 -0.79 -4.99 105.19 111.39 1pwu n GLY 428 Ca -0.07 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.84 -0.27 0.27 1.61 0.15 -1.26 -5.02 113.70 108.34 1pwu s SER 429 Ca 0.62 -0.54 0.21 0.00 0.70 0.00 0.00 55.95 56.94 1pwu s SER 429 Cb -0.75 0.63 0.10 0.00 -1.71 0.00 0.00 66.02 64.30 1pwu s SER 429 CO 0.58 -1.16 1.25 0.71 1.20 0.00 0.00 173.24 175.82 1pwu h THR 430 N 2.12 0.16 0.00 6.45 1.35 -2.01 -3.29 112.91 117.69 1pwu h THR 430 Ca -0.26 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 1pwu h THR 430 Cb 1.26 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1pwu h THR 430 CO 0.32 0.09 0.00 -0.07 -0.25 0.00 0.00 175.52 175.61 1pwu h LEU 431 N 0.00 0.00 -7.80 3.87 3.38 -1.95 -3.46 115.31 109.35 1pwu h LEU 431 Ca -0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1pwu h LEU 431 Cb 1.11 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 1pwu h LEU 431 CO 0.01 0.00 0.23 -0.72 0.09 0.00 0.00 178.44 178.06 1pwu s TYR 432 N -3.76 -0.26 0.00 1.13 -0.85 -1.24 -5.09 117.35 107.29 1pwu s TYR 432 Ca -0.00 -0.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.40 1pwu s TYR 432 Cb 0.10 0.68 0.00 0.00 0.38 0.00 0.00 41.96 43.12 1pwu s TYR 432 CO 0.49 -1.15 0.00 0.27 -1.52 0.00 0.00 175.55 173.64 1pwu n ASN 433 N -0.44 0.00 -4.71 -0.18 6.94 -1.26 -4.45 115.26 111.15 1pwu n ASN 433 Ca -0.07 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.08 1pwu n ASN 433 Cb 0.60 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 38.03 1pwu n ASN 433 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1pwu n LYS 434 N 0.00 2.02 -4.60 -3.83 5.02 -1.26 -4.94 118.16 110.56 1pwu n LYS 434 Ca 0.00 0.72 -0.28 0.00 -2.02 0.00 0.00 58.31 56.73 1pwu n LYS 434 Cb 0.00 -2.40 -0.17 0.00 -0.02 0.00 0.00 35.03 32.45 1pwu n LYS 434 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pwu s ILE 435 N -1.17 1.47 -0.07 -0.18 -1.09 -1.26 -5.08 121.20 113.82 1pwu s ILE 435 Ca 0.59 -0.65 0.03 0.00 -2.23 0.00 0.00 60.65 58.40 1pwu s ILE 435 Cb -0.51 -1.33 -0.02 0.00 -1.58 0.00 0.00 42.46 39.01 1pwu s ILE 435 CO 0.59 0.43 -0.16 -0.31 -1.23 0.00 0.00 174.94 174.26 1pwu s TYR 436 N 0.81 2.67 0.29 3.97 1.51 -1.26 -1.41 117.35 123.92 1pwu s TYR 436 Ca -0.11 -0.39 0.10 0.00 -1.01 0.00 0.00 57.07 55.66 1pwu s TYR 436 Cb -0.16 -1.67 -0.05 0.00 -0.11 0.00 0.00 41.96 39.97 1pwu s TYR 436 CO 0.01 0.01 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.81 1pwu s LEU 437 N -0.35 2.61 0.16 -1.29 1.43 -0.38 -4.86 118.68 116.00 1pwu s LEU 437 Ca 0.03 -1.10 0.10 0.00 -1.03 0.00 0.00 54.13 52.13 1pwu s LEU 437 Cb -0.12 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 1pwu s LEU 437 CO 0.02 -0.11 -0.22 -0.31 0.23 0.00 0.00 176.35 175.96 1pwu s TYR 438 N -2.67 2.09 -0.19 0.29 1.51 0.85 -0.68 117.35 118.55 1pwu s TYR 438 Ca 0.30 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.90 1pwu s TYR 438 Cb -0.01 -1.06 0.09 0.00 -0.11 0.00 0.00 41.96 40.87 1pwu s TYR 438 CO 0.14 0.39 0.39 -2.00 -1.11 0.00 0.00 175.55 173.35 1pwu s GLU 439 N -2.53 0.30 -0.09 -0.62 2.12 -0.65 0.09 118.70 117.31 1pwu s GLU 439 Ca 0.16 0.91 -0.24 0.00 0.36 0.00 0.00 54.97 56.16 1pwu s GLU 439 Cb -0.08 0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.43 1pwu s GLU 439 CO 0.08 -0.32 0.76 -0.80 -0.54 0.00 0.00 175.26 174.44 1pwu s ASN 440 N 2.57 7.00 0.06 -1.70 0.02 -1.26 -0.39 114.94 121.25 1pwu s ASN 440 Ca 0.01 1.21 0.04 0.00 -1.02 0.00 0.00 52.86 53.10 1pwu s ASN 440 Cb -0.13 -2.43 -0.03 0.00 0.02 0.00 0.00 41.25 38.68 1pwu s ASN 440 CO -0.12 -0.21 -0.12 -0.32 0.02 0.00 0.00 177.10 176.34 1pwu s MET 441 N 1.23 0.74 0.05 -0.60 1.75 0.09 -4.99 119.30 117.57 1pwu s MET 441 Ca 0.39 -0.91 -0.26 0.00 -1.25 0.00 0.00 55.69 53.65 1pwu s MET 441 Cb -0.18 -0.65 -0.05 0.00 2.84 0.00 0.00 34.83 36.79 1pwu s MET 441 CO 0.17 0.14 0.80 1.21 -0.65 0.00 0.00 175.02 176.69 1pwu s ASN 442 N -1.74 7.25 0.43 1.11 3.84 -1.26 -1.81 114.94 122.76 1pwu s ASN 442 Ca -0.04 1.50 0.30 0.00 0.21 0.00 0.00 52.86 54.82 1pwu s ASN 442 Cb -0.10 -2.49 1.19 0.00 -0.55 0.00 0.00 41.25 39.31 1pwu s ASN 442 CO 0.02 -0.01 1.87 -0.29 -2.79 0.00 0.00 177.10 175.90 1pwu h ILE 443 N 4.15 0.00 0.00 -5.21 2.10 -1.95 -3.03 117.51 113.58 1pwu h ILE 443 Ca -0.44 -0.42 -0.02 0.00 1.08 0.00 0.00 64.86 65.07 1pwu h ILE 443 Cb 1.21 1.32 -0.00 0.00 -1.09 0.00 0.00 36.82 38.25 1pwu h ILE 443 CO 0.71 0.00 -0.09 0.78 -1.08 0.00 0.00 178.15 178.47 1pwu h ASN 444 N 0.00 0.00 0.89 2.19 -0.26 -1.89 -0.68 115.58 115.83 1pwu h ASN 444 Ca 0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 1pwu h ASN 444 Cb 0.47 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.73 1pwu h ASN 444 CO 0.00 0.09 -0.17 0.78 -1.06 0.00 0.00 177.43 177.07 1pwu h ASN 445 N 0.00 0.00 0.04 5.81 -0.26 -1.87 -3.13 115.58 116.17 1pwu h ASN 445 Ca -0.00 0.00 -0.38 0.00 -0.56 0.00 0.00 56.30 55.36 1pwu h ASN 445 Cb 0.51 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.72 1pwu h ASN 445 CO 0.01 0.17 -2.21 0.18 -1.06 0.00 0.00 177.43 174.53 1pwu n LEU 446 N -3.35 2.60 -3.13 1.61 4.32 -0.75 -4.88 117.00 113.42 1pwu n LEU 446 Ca 0.00 0.10 0.05 0.00 -0.02 0.00 0.00 56.01 56.14 1pwu n LEU 446 Cb 0.39 -0.97 -0.00 0.00 -1.62 0.00 0.00 43.42 41.21 1pwu n LEU 446 CO 0.32 0.79 0.36 0.28 -1.22 0.00 0.00 177.39 177.92 1pwu s THR 447 N -2.51 -0.53 0.45 -5.08 -1.32 -0.34 -4.18 115.64 102.13 1pwu s THR 447 Ca -0.31 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.35 1pwu s THR 447 Cb 0.09 -0.48 0.22 0.00 -1.51 0.00 0.00 72.50 70.81 1pwu s THR 447 CO 0.64 0.00 2.03 0.00 -2.21 0.00 0.00 174.62 175.08 1pwu h ALA 448 N 7.40 1.62 0.46 11.08 0.00 -1.16 -0.99 119.26 137.66 1pwu h ALA 448 Ca -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1pwu h ALA 448 Cb 1.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1pwu h ALA 448 CO -0.00 0.19 -0.46 1.15 0.00 0.00 0.00 179.25 180.13 1pwu h THR 449 N 0.00 0.10 0.00 0.00 2.02 -1.81 -0.36 112.91 112.86 1pwu h THR 449 Ca -0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1pwu h THR 449 Cb 0.29 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1pwu h THR 449 CO 0.02 0.00 -0.43 -0.07 0.37 0.00 0.00 175.52 175.41 1pwu h LEU 450 N -0.93 0.00 -2.41 2.58 3.38 -1.91 -2.93 115.31 113.10 1pwu h LEU 450 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1pwu h LEU 450 Cb 0.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1pwu h LEU 450 CO -0.06 0.43 -0.01 1.23 0.09 0.00 0.00 178.44 180.11 1pwu h GLY 451 N 1.99 0.00 2.00 0.83 0.00 -0.41 -2.17 103.07 105.31 1pwu h GLY 451 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1pwu h GLY 451 CO 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.42 1pwu h ALA 452 N 1.99 1.05 0.00 3.60 0.00 -0.89 -3.28 119.26 121.73 1pwu h ALA 452 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1pwu h ALA 452 Cb 0.19 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.86 1pwu h ALA 452 CO 0.00 0.22 -0.48 -0.25 0.00 0.00 0.00 179.25 178.74 1pwu n ASP 453 N -3.37 1.37 0.10 0.00 8.00 -0.84 -4.85 116.55 116.97 1pwu n ASP 453 Ca -0.00 -2.87 -0.11 0.00 0.71 0.00 0.00 54.79 52.52 1pwu n ASP 453 Cb 0.38 -0.38 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1pwu n ASP 453 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1pwu h LEU 454 N 0.52 -0.28 -9.76 0.64 5.85 -1.55 -3.43 115.31 107.31 1pwu h LEU 454 Ca -0.05 -0.25 -0.52 0.00 0.84 0.00 0.00 57.88 57.90 1pwu h LEU 454 Cb 1.28 0.07 0.04 0.00 0.37 0.00 0.00 40.66 42.42 1pwu h LEU 454 CO 0.02 0.21 0.60 -0.69 -0.34 0.00 0.00 178.44 178.24 1pwu s VAL 455 N -3.70 3.18 -0.05 1.05 1.01 -1.26 -0.25 120.40 120.38 1pwu s VAL 455 Ca -0.12 1.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 1pwu s VAL 455 Cb 0.01 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1pwu s VAL 455 CO 0.45 0.21 1.54 -0.62 0.00 0.00 0.00 175.10 176.68 1pwu s ASP 456 N -0.17 6.75 0.52 3.32 2.15 -0.72 -4.72 116.67 123.80 1pwu s ASP 456 Ca 0.51 2.14 0.22 0.00 0.43 0.00 0.00 52.55 55.85 1pwu s ASP 456 Cb -0.36 -2.54 1.33 0.00 -0.30 0.00 0.00 42.92 41.05 1pwu s ASP 456 CO 0.43 -0.86 2.03 -1.28 -0.17 0.00 0.00 175.17 175.32 1pwu h SER 457 N 8.89 0.03 0.00 -0.34 0.87 -1.92 -3.12 113.55 117.97 1pwu h SER 457 Ca -0.37 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 1pwu h SER 457 Cb 1.17 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1pwu h SER 457 CO 0.95 0.02 -0.09 0.74 -0.53 0.00 0.00 176.83 177.92 1pwu h THR 458 N 0.04 0.79 -3.81 2.23 2.02 -1.98 -3.44 112.91 108.76 1pwu h THR 458 Ca 0.20 -1.61 -0.67 0.00 0.77 0.00 0.00 66.41 65.09 1pwu h THR 458 Cb 0.74 1.51 -0.37 0.00 -1.74 0.00 0.00 68.15 68.29 1pwu h THR 458 CO -0.01 0.27 -0.76 -0.62 0.37 0.00 0.00 175.52 174.77 1pwu s ASP 459 N -5.90 4.60 0.43 4.18 3.68 -1.18 -5.00 116.67 117.48 1pwu s ASP 459 Ca -0.10 -1.52 0.12 0.00 2.13 0.00 0.00 52.55 53.18 1pwu s ASP 459 Cb -0.01 -1.60 0.99 0.00 -1.45 0.00 0.00 42.92 40.85 1pwu s ASP 459 CO 0.33 -0.24 1.99 0.78 0.13 0.00 0.00 175.17 178.15 1pwu h ASN 460 N 7.79 0.40 0.21 -0.34 2.35 -1.86 -1.47 115.58 122.67 1pwu h ASN 460 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1pwu h ASN 460 Cb 1.04 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1pwu h ASN 460 CO 0.49 0.25 0.00 0.35 -1.65 0.00 0.00 177.43 176.87 1pwu n THR 461 N -4.47 1.30 -4.09 2.81 -2.24 -1.26 -4.64 114.28 101.69 1pwu n THR 461 Ca 0.09 0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 62.12 1pwu n THR 461 Cb 0.31 -1.45 -0.05 0.00 -2.10 0.00 0.00 70.33 67.04 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 -3.25 2.95 -0.10 -0.78 1.02 -0.55 -1.27 119.74 117.75 1pwu s LYS 462 Ca 0.01 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.08 1pwu s LYS 462 Cb 0.05 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 1pwu s LYS 462 CO 0.18 0.45 -0.09 0.42 -0.92 0.00 0.00 175.35 175.39 1pwu s ILE 463 N -1.90 3.48 -0.60 2.17 -1.09 -1.26 -1.76 121.20 120.24 1pwu s ILE 463 Ca 0.32 -0.54 -0.27 0.00 -2.23 0.00 0.00 60.65 57.93 1pwu s ILE 463 Cb -0.09 -2.44 0.00 0.00 -1.58 0.00 0.00 42.46 38.35 1pwu s ILE 463 CO 0.24 0.56 1.58 0.20 -1.23 0.00 0.00 174.94 176.29 1pwu s ASN 464 N -0.28 5.81 0.46 3.58 0.01 0.66 -4.80 114.94 120.37 1pwu s ASN 464 Ca 0.03 0.23 0.31 0.00 -0.71 0.00 0.00 52.86 52.72 1pwu s ASN 464 Cb -0.13 -2.54 1.42 0.00 0.41 0.00 0.00 41.25 40.41 1pwu s ASN 464 CO 0.03 -1.98 1.66 0.03 -1.51 0.00 0.00 177.10 175.33 1pwu h ARG 465 N 12.39 0.12 0.56 -0.60 -0.00 -1.96 -0.97 114.38 123.92 1pwu h ARG 465 Ca -0.27 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.98 59.17 1pwu h ARG 465 Cb 1.11 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.06 1pwu h ARG 465 CO 1.20 0.08 -0.30 0.78 0.00 0.00 0.00 179.97 181.73 1pwu h GLY 466 N 0.12 -0.91 1.74 0.04 0.00 -1.96 -0.93 103.07 101.17 1pwu h GLY 466 Ca 0.76 0.35 0.04 0.00 0.00 0.00 0.00 47.33 48.48 1pwu h GLY 466 CO -0.31 -0.32 0.09 -2.22 0.00 0.00 0.00 176.54 173.79 1pwu h ILE 467 N -0.79 0.93 0.08 2.60 5.03 -1.56 -1.81 117.51 121.99 1pwu h ILE 467 Ca -0.08 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.66 1pwu h ILE 467 Cb 0.62 0.93 0.00 0.00 -3.03 0.00 0.00 36.82 35.35 1pwu h ILE 467 CO 0.11 0.00 -0.04 0.15 -0.68 0.00 0.00 178.15 177.69 1pwu h PHE 468 N 0.00 -0.10 -0.89 1.37 3.57 -0.88 -0.82 116.94 119.19 1pwu h PHE 468 Ca 0.06 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.66 1pwu h PHE 468 Cb 0.25 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 1pwu h PHE 468 CO 0.00 -0.02 0.57 -0.91 -2.23 0.00 0.00 178.31 175.73 1pwu h ASN 469 N -0.16 0.79 -0.29 0.41 2.35 -0.29 -0.91 115.58 117.48 1pwu h ASN 469 Ca -0.01 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1pwu h ASN 469 Cb 0.13 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1pwu h ASN 469 CO 0.02 0.46 -0.06 -0.33 -1.65 0.00 0.00 177.43 175.87 1pwu h GLU 470 N 0.87 0.55 -0.65 0.81 5.08 -1.29 0.30 114.58 120.26 1pwu h GLU 470 Ca 0.41 -0.21 0.14 0.00 -1.00 0.00 0.00 59.36 58.70 1pwu h GLU 470 Cb 0.42 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1pwu h GLU 470 CO -0.18 0.75 0.44 0.35 -1.00 0.00 0.00 179.01 179.37 1pwu h PHE 471 N 0.31 0.32 0.08 4.33 3.57 0.15 -2.77 116.94 122.94 1pwu h PHE 471 Ca 0.07 0.01 -0.33 0.00 3.53 0.00 0.00 57.97 61.26 1pwu h PHE 471 Cb 0.54 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1pwu h PHE 471 CO 0.05 0.13 -1.79 -0.22 -2.23 0.00 0.00 178.31 174.25 1pwu h LYS 472 N 0.28 0.17 -0.36 1.11 3.64 -1.02 -3.42 116.57 116.97 1pwu h LYS 472 Ca 0.31 -0.29 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1pwu h LYS 472 Cb 0.83 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.72 1pwu h LYS 472 CO -0.07 0.94 -0.21 1.17 -2.27 0.00 0.00 179.45 179.01 1pwu n LYS 473 N -3.32 -0.16 -2.46 1.90 4.81 0.07 -1.97 118.16 117.03 1pwu n LYS 473 Ca -0.23 0.57 -0.25 0.00 -0.87 0.00 0.00 58.31 57.53 1pwu n LYS 473 Cb 1.05 -0.83 0.01 0.00 0.02 0.00 0.00 35.03 35.27 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 -4.34 4.36 -4.12 3.14 4.13 -1.26 -4.95 115.26 112.22 1pwu n ASN 474 Ca 0.01 -3.60 -0.37 0.00 1.68 0.00 0.00 54.58 52.30 1pwu n ASN 474 Cb 0.09 -0.46 -0.05 0.00 -1.54 0.00 0.00 39.78 37.82 1pwu n ASN 474 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1pwu n PHE 475 N -0.46 4.32 -0.08 3.10 7.35 -0.83 -3.10 117.46 127.76 1pwu n PHE 475 Ca 0.36 -4.07 -0.18 0.00 -0.76 0.00 0.00 57.45 52.80 1pwu n PHE 475 Cb 0.71 -1.21 -0.13 0.00 0.35 0.00 0.00 39.48 39.20 1pwu n PHE 475 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pwu n LYS 476 N 2.28 0.69 -4.00 -4.13 4.76 -1.26 -4.74 118.16 111.76 1pwu n LYS 476 Ca 0.22 0.18 -0.09 0.00 -2.87 0.00 0.00 58.31 55.76 1pwu n LYS 476 Cb 0.37 -1.59 -0.11 0.00 -1.84 0.00 0.00 35.03 31.87 1pwu n LYS 476 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1pwu s TYR 477 N -2.53 0.32 0.09 2.13 -0.85 -1.26 0.26 117.35 115.50 1pwu s TYR 477 Ca -0.29 -0.65 0.06 0.00 -0.52 0.00 0.00 57.07 55.67 1pwu s TYR 477 Cb 0.08 -0.23 -0.03 0.00 0.38 0.00 0.00 41.96 42.15 1pwu s TYR 477 CO 0.67 -0.25 -0.15 0.45 -1.52 0.00 0.00 175.55 174.75 1pwu s SER 478 N -1.86 1.90 -0.00 -0.18 0.15 0.21 -2.16 113.70 111.76 1pwu s SER 478 Ca -0.10 -0.68 0.06 0.00 0.70 0.00 0.00 55.95 55.93 1pwu s SER 478 Cb -0.05 -0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.18 1pwu s SER 478 CO -0.03 -0.08 -0.19 -0.63 1.20 0.00 0.00 173.24 173.51 1pwu s ILE 479 N -1.51 1.50 -0.27 6.45 1.01 -0.86 -0.30 121.20 127.22 1pwu s ILE 479 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.80 1pwu s ILE 479 Cb -0.08 -1.26 0.05 0.00 0.01 0.00 0.00 42.46 41.17 1pwu s ILE 479 CO 0.03 0.37 -0.06 -0.55 0.00 0.00 0.00 174.94 174.72 1pwu s SER 480 N -0.60 4.59 0.08 3.58 0.15 -0.91 -1.32 113.70 119.28 1pwu s SER 480 Ca 0.07 -1.27 0.22 0.00 0.70 0.00 0.00 55.95 55.67 1pwu s SER 480 Cb -0.08 -1.63 -0.13 0.00 -1.71 0.00 0.00 66.02 62.48 1pwu s SER 480 CO -0.00 -0.21 0.82 -1.20 1.20 0.00 0.00 173.24 173.85 1pwu n SER 481 N 4.54 0.48 -2.71 5.45 7.64 -1.24 -1.30 113.62 126.48 1pwu n SER 481 Ca -0.14 0.09 -0.06 0.00 1.01 0.00 0.00 58.87 59.77 1pwu n SER 481 Cb 0.43 1.12 0.01 0.00 -1.01 0.00 0.00 64.21 64.76 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 -2.38 1.14 -4.54 6.43 0.23 -1.26 -4.24 115.26 110.63 1pwu n ASN 482 Ca -0.01 -1.44 -0.43 0.00 -0.53 0.00 0.00 54.58 52.17 1pwu n ASN 482 Cb 0.54 -0.04 -0.06 0.00 -2.08 0.00 0.00 39.78 38.13 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 -0.42 3.07 0.33 -2.53 1.51 -1.26 -4.22 117.35 113.83 1pwu s TYR 483 Ca 0.10 0.17 -0.28 0.00 -1.01 0.00 0.00 57.07 56.05 1pwu s TYR 483 Cb -0.01 -3.38 -0.10 0.00 -0.11 0.00 0.00 41.96 38.37 1pwu s TYR 483 CO 0.06 -0.82 1.23 -1.64 -1.11 0.00 0.00 175.55 173.28 1pwu s MET 484 N 2.94 4.37 -0.35 -0.62 -1.94 -1.24 -4.79 119.30 117.67 1pwu s MET 484 Ca 0.26 2.05 0.00 0.00 -1.71 0.00 0.00 55.69 56.30 1pwu s MET 484 Cb -0.14 -3.04 0.09 0.00 2.01 0.00 0.00 34.83 33.76 1pwu s MET 484 CO 0.19 -0.11 0.08 0.42 -0.01 0.00 0.00 175.02 175.58 1pwu s ILE 485 N -1.19 2.75 0.51 2.53 1.01 -1.26 -0.59 121.20 124.96 1pwu s ILE 485 Ca 0.49 -1.99 0.07 0.00 0.00 0.00 0.00 60.65 59.22 1pwu s ILE 485 Cb -0.36 -2.84 0.03 0.00 0.01 0.00 0.00 42.46 39.29 1pwu s ILE 485 CO 0.48 -0.48 0.45 0.68 0.00 0.00 0.00 174.94 176.07 1pwu s VAL 486 N 1.07 2.04 -0.01 2.92 -7.23 -0.31 -4.92 120.40 113.96 1pwu s VAL 486 Ca 0.05 -1.38 0.04 0.00 -1.81 0.00 0.00 61.98 58.88 1pwu s VAL 486 Cb -0.21 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1pwu s VAL 486 CO -0.05 0.00 -0.12 -1.81 -0.31 0.00 0.00 175.10 172.81 1pwu s ASP 487 N -4.29 4.23 0.12 4.85 1.01 0.11 -1.88 116.67 120.83 1pwu s ASP 487 Ca 0.43 -0.22 -0.14 0.00 0.71 0.00 0.00 52.55 53.33 1pwu s ASP 487 Cb -0.03 -0.90 -0.04 0.00 1.01 0.00 0.00 42.92 42.96 1pwu s ASP 487 CO 0.26 0.31 1.52 0.40 0.21 0.00 0.00 175.17 177.87 1pwu h ILE 488 N 4.04 1.28 -3.72 0.77 2.04 -1.77 0.24 117.51 120.39 1pwu h ILE 488 Ca -0.48 -1.17 -0.58 0.00 1.00 0.00 0.00 64.86 63.63 1pwu h ILE 488 Cb 1.16 1.26 -0.32 0.00 -0.74 0.00 0.00 36.82 38.18 1pwu h ILE 488 CO 0.51 0.39 -0.84 0.20 0.00 0.00 0.00 178.15 178.41 1pwu s ASN 489 N -6.34 2.29 0.28 1.72 0.01 -1.26 -4.75 114.94 106.90 1pwu s ASN 489 Ca -0.13 -0.39 -0.29 0.00 -0.71 0.00 0.00 52.86 51.35 1pwu s ASN 489 Cb 0.10 -0.79 -0.13 0.00 0.41 0.00 0.00 41.25 40.83 1pwu s ASN 489 CO 0.81 0.14 1.22 1.21 -1.51 0.00 0.00 177.10 178.97 1pwu n GLU 490 N 3.33 1.78 -4.40 -0.60 2.13 -1.26 -4.93 120.64 116.69 1pwu n GLU 490 Ca -0.19 0.63 -0.20 0.00 0.66 0.00 0.00 57.16 58.05 1pwu n GLU 490 Cb 0.53 -2.16 -0.10 0.00 0.27 0.00 0.00 31.44 29.98 1pwu n GLU 490 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1pwu s ARG 491 N -1.27 1.48 0.35 5.31 0.52 -1.26 -5.10 118.95 118.99 1pwu s ARG 491 Ca 0.61 -1.72 -0.28 0.00 -0.52 0.00 0.00 55.73 53.82 1pwu s ARG 491 Cb -0.65 -1.18 -0.10 0.00 0.52 0.00 0.00 34.95 33.53 1pwu s ARG 491 CO 0.57 0.11 1.31 -1.25 0.02 0.00 0.00 175.30 176.07 1pwu s PRO 492 N -3.69 4.24 0.47 3.54 0.04 -1.26 -4.97 135.00 133.37 1pwu s PRO 492 Ca 0.27 2.22 0.04 0.00 0.04 0.00 0.00 61.00 63.56 1pwu s PRO 492 Cb 0.02 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.60 1pwu s PRO 492 CO 0.10 -0.29 0.67 0.00 0.04 0.00 0.00 177.00 177.52 1pwu s ALA 493 N -1.18 4.09 0.52 8.56 0.00 -1.26 -5.08 121.76 127.42 1pwu s ALA 493 Ca 0.51 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 1pwu s ALA 493 Cb -0.40 -1.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 1pwu s ALA 493 CO 0.52 -0.48 0.82 -0.51 0.00 0.00 0.00 175.76 176.11 1pwu s LEU 494 N -4.55 3.46 0.26 0.00 1.43 -1.26 -4.96 118.68 113.06 1pwu s LEU 494 Ca 0.54 0.78 -0.07 0.00 -1.03 0.00 0.00 54.13 54.35 1pwu s LEU 494 Cb -0.10 -3.67 0.46 0.00 0.03 0.00 0.00 46.19 42.91 1pwu s LEU 494 CO 0.36 -0.79 1.61 0.44 0.23 0.00 0.00 176.35 178.20 1pwu h ASP 495 N 0.07 -0.49 0.45 2.29 5.19 -2.03 0.10 116.42 122.00 1pwu h ASP 495 Ca -0.46 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1pwu h ASP 495 Cb 1.23 0.42 0.00 0.00 0.18 0.00 0.00 39.33 41.16 1pwu h ASP 495 CO 0.61 -0.23 -0.01 -0.46 -3.12 0.00 0.00 179.24 176.03 1pwu n ASN 496 N -5.42 0.04 -4.36 6.45 2.04 -1.26 -4.54 115.26 108.20 1pwu n ASN 496 Ca 0.15 -0.34 -0.46 0.00 -0.44 0.00 0.00 54.58 53.49 1pwu n ASN 496 Cb 0.50 -0.21 -0.03 0.00 -2.53 0.00 0.00 39.78 37.50 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 -2.45 3.35 0.00 -3.83 2.02 0.02 -3.95 118.70 113.86 1pwu s GLU 497 Ca 0.32 -1.89 0.19 0.00 0.02 0.00 0.00 54.97 53.61 1pwu s GLU 497 Cb 0.21 -4.45 0.38 0.00 0.10 0.00 0.00 34.13 30.37 1pwu s GLU 497 CO 0.44 -1.46 1.31 0.54 0.02 0.00 0.00 175.26 176.12 1pwu n ARG 498 N 5.32 2.34 -4.39 1.61 5.12 -1.00 -4.53 116.66 121.13 1pwu n ARG 498 Ca 0.05 -2.14 -0.34 0.00 -1.93 0.00 0.00 57.85 53.48 1pwu n ARG 498 Cb 0.45 -1.43 -0.10 0.00 -1.16 0.00 0.00 32.46 30.21 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 -1.26 3.46 -0.31 0.55 1.02 -0.75 -1.00 118.68 120.39 1pwu s LEU 499 Ca 0.33 0.05 0.01 0.00 0.02 0.00 0.00 54.13 54.54 1pwu s LEU 499 Cb 0.19 -1.80 0.10 0.00 0.02 0.00 0.00 46.19 44.69 1pwu s LEU 499 CO 0.26 0.30 0.07 -0.54 0.02 0.00 0.00 176.35 176.47 1pwu s LYS 500 N -0.44 1.04 0.04 1.70 1.02 0.04 -0.73 119.74 122.40 1pwu s LYS 500 Ca 0.08 -1.31 -0.25 0.00 0.02 0.00 0.00 55.97 54.51 1pwu s LYS 500 Cb -0.12 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.70 1pwu s LYS 500 CO 0.02 -0.93 0.76 -1.58 -0.92 0.00 0.00 175.35 172.70 1pwu s TRP 501 N 1.37 3.73 -0.28 3.18 0.52 0.48 -1.33 118.94 126.61 1pwu s TRP 501 Ca 0.08 1.46 0.02 0.00 0.02 0.00 0.00 56.10 57.69 1pwu s TRP 501 Cb -0.18 -2.82 0.06 0.00 -1.15 0.00 0.00 33.47 29.39 1pwu s TRP 501 CO -0.18 0.27 -0.06 0.50 0.02 0.00 0.00 176.95 177.50 1pwu s ARG 502 N -0.03 2.22 -0.22 4.98 3.52 -0.49 -1.64 118.95 127.29 1pwu s ARG 502 Ca 0.38 -1.38 -0.08 0.00 -0.13 0.00 0.00 55.73 54.52 1pwu s ARG 502 Cb -0.20 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 1pwu s ARG 502 CO 0.23 -0.62 0.09 0.42 -0.81 0.00 0.00 175.30 174.61 1pwu s ILE 503 N 1.12 4.77 -0.38 4.11 -1.09 0.14 -1.74 121.20 128.13 1pwu s ILE 503 Ca -0.06 -0.03 -0.22 0.00 -2.23 0.00 0.00 60.65 58.11 1pwu s ILE 503 Cb -0.20 -3.19 0.01 0.00 -1.58 0.00 0.00 42.46 37.50 1pwu s ILE 503 CO -0.04 0.39 0.70 -1.58 -1.23 0.00 0.00 174.94 173.17 1pwu s GLN 504 N 0.97 3.60 0.71 2.79 0.74 0.06 -1.25 119.66 127.28 1pwu s GLN 504 Ca 0.05 0.04 -0.11 0.00 0.05 0.00 0.00 55.36 55.38 1pwu s GLN 504 Cb -0.14 -3.85 0.02 0.00 1.10 0.00 0.00 33.01 30.14 1pwu s GLN 504 CO 0.03 -0.86 1.10 -0.51 -0.55 0.00 0.00 175.29 174.50 1pwu s LEU 505 N 2.91 2.88 0.00 3.68 1.43 -0.50 -1.15 118.68 127.92 1pwu s LEU 505 Ca 0.27 1.09 -0.07 0.00 -1.03 0.00 0.00 54.13 54.39 1pwu s LEU 505 Cb -0.14 -3.87 -0.05 0.00 0.03 0.00 0.00 46.19 42.17 1pwu s LEU 505 CO 0.17 -1.38 0.26 -0.55 0.23 0.00 0.00 176.35 175.09 1pwu s SER 506 N -4.38 6.50 0.28 2.29 0.15 -1.26 -4.69 113.70 112.59 1pwu s SER 506 Ca 0.58 0.56 0.21 0.00 0.70 0.00 0.00 55.95 58.01 1pwu s SER 506 Cb -0.11 -2.09 1.05 0.00 -1.71 0.00 0.00 66.02 63.15 1pwu s SER 506 CO 0.51 0.26 1.65 -0.81 1.20 0.00 0.00 173.24 176.05 1pwu n PRO 507 N 1.19 0.15 0.00 5.44 -0.04 -1.26 -1.13 135.00 139.35 1pwu n PRO 507 Ca -0.12 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.02 1pwu n PRO 507 Cb 0.53 -1.90 0.29 0.00 -0.04 0.00 0.00 33.50 32.37 1pwu n PRO 507 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pwu n ASP 508 N -2.21 1.00 -4.74 3.54 10.43 -1.26 -1.88 116.55 121.43 1pwu n ASP 508 Ca -0.00 -0.81 -0.41 0.00 2.57 0.00 0.00 54.79 56.14 1pwu n ASP 508 Cb 0.10 0.24 -0.03 0.00 1.84 0.00 0.00 41.12 43.27 1pwu n ASP 508 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1pwu s THR 509 N -2.64 3.23 -0.15 -3.53 2.01 -0.28 -4.81 115.64 109.47 1pwu s THR 509 Ca 0.20 1.06 -0.13 0.00 0.31 0.00 0.00 61.69 63.13 1pwu s THR 509 Cb 0.19 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 1pwu s THR 509 CO 0.58 0.18 0.29 -0.13 -0.69 0.00 0.00 174.62 174.86 1pwu s ARG 510 N -0.48 4.18 0.11 4.92 0.52 -1.26 -1.59 118.95 125.34 1pwu s ARG 510 Ca 0.54 0.11 -0.08 0.00 -0.52 0.00 0.00 55.73 55.78 1pwu s ARG 510 Cb -0.36 -3.40 -0.01 0.00 0.52 0.00 0.00 34.95 31.71 1pwu s ARG 510 CO 0.40 0.31 0.19 0.00 0.02 0.00 0.00 175.30 176.21 1pwu s ALA 511 N 0.26 -0.05 0.13 2.13 0.00 -1.02 -1.48 121.76 121.73 1pwu s ALA 511 Ca 0.17 -0.78 0.10 0.00 0.00 0.00 0.00 51.96 51.46 1pwu s ALA 511 Cb -0.13 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1pwu s ALA 511 CO 0.05 -0.53 -0.23 0.20 0.00 0.00 0.00 175.76 175.24 1pwu s GLY 512 N -2.90 1.63 -0.14 0.00 0.00 0.10 -4.49 107.32 101.52 1pwu s GLY 512 Ca 0.09 -1.44 -0.15 0.00 0.00 0.00 0.00 44.72 43.22 1pwu s GLY 512 CO -0.08 -1.42 0.37 -0.47 0.00 0.00 0.00 173.10 171.50 1pwu s TYR 513 N -1.14 3.48 -0.01 1.90 5.04 -1.26 -1.15 117.35 124.21 1pwu s TYR 513 Ca 0.16 0.71 0.02 0.00 -2.44 0.00 0.00 57.07 55.52 1pwu s TYR 513 Cb -0.10 -2.42 -0.03 0.00 0.35 0.00 0.00 41.96 39.75 1pwu s TYR 513 CO 0.08 0.21 -0.04 -0.51 -1.34 0.00 0.00 175.55 173.95 1pwu s LEU 514 N 0.51 3.31 0.55 6.97 1.43 -0.04 -4.98 118.68 126.43 1pwu s LEU 514 Ca 0.20 -0.07 0.32 0.00 -1.03 0.00 0.00 54.13 53.56 1pwu s LEU 514 Cb -0.14 -1.86 1.55 0.00 0.03 0.00 0.00 46.19 45.76 1pwu s LEU 514 CO 0.06 0.30 2.07 -0.08 0.23 0.00 0.00 176.35 178.94 1pwu h GLU 515 N 4.60 0.00 -0.56 1.70 4.57 -1.99 -2.62 114.58 120.28 1pwu h GLU 515 Ca -0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1pwu h GLU 515 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1pwu h GLU 515 CO 0.55 0.08 0.00 0.27 -1.18 0.00 0.00 179.01 178.72 1pwu n ASN 516 N -3.36 0.56 -0.02 1.04 2.04 -1.26 -4.78 115.26 109.49 1pwu n ASN 516 Ca -0.01 -1.79 -0.00 0.00 -0.44 0.00 0.00 54.58 52.34 1pwu n ASN 516 Cb 0.25 -0.28 -0.00 0.00 -2.53 0.00 0.00 39.78 37.22 1pwu n ASN 516 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1pwu n GLY 517 N 0.18 0.37 3.59 4.83 0.00 -1.00 -5.02 105.19 108.14 1pwu n GLY 517 Ca 0.00 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.64 1.96 0.08 1.61 1.02 -1.15 -2.23 119.74 117.39 1pwu s LYS 518 Ca 0.00 -1.82 0.07 0.00 0.02 0.00 0.00 55.97 54.24 1pwu s LYS 518 Cb 0.00 -1.83 -0.03 0.00 -0.52 0.00 0.00 37.83 35.44 1pwu s LYS 518 CO 0.00 0.15 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.89 1pwu s LEU 519 N -3.66 2.27 -0.19 3.17 1.43 -0.79 -0.86 118.68 120.05 1pwu s LEU 519 Ca 0.34 -0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1pwu s LEU 519 Cb 0.01 -0.76 -0.01 0.00 0.03 0.00 0.00 46.19 45.46 1pwu s LEU 519 CO 0.18 0.03 -0.08 -0.51 0.23 0.00 0.00 176.35 176.20 1pwu s ILE 520 N -1.13 3.20 0.28 -0.59 2.07 -0.30 -1.16 121.20 123.57 1pwu s ILE 520 Ca 0.04 -0.57 -0.02 0.00 -1.41 0.00 0.00 60.65 58.69 1pwu s ILE 520 Cb -0.10 -2.42 -0.04 0.00 0.13 0.00 0.00 42.46 40.03 1pwu s ILE 520 CO 0.03 0.46 0.51 -0.76 -1.91 0.00 0.00 174.94 173.27 1pwu s LEU 521 N 1.15 4.09 0.38 8.50 1.43 0.25 -0.72 118.68 133.76 1pwu s LEU 521 Ca 0.01 0.55 -0.27 0.00 -1.03 0.00 0.00 54.13 53.40 1pwu s LEU 521 Cb -0.14 -3.37 -0.09 0.00 0.03 0.00 0.00 46.19 42.62 1pwu s LEU 521 CO -0.02 -0.18 1.29 0.00 0.23 0.00 0.00 176.35 177.67 1pwu s GLN 522 N -3.70 4.09 1.23 1.70 -2.07 -0.55 -3.72 119.66 116.64 1pwu s GLN 522 Ca 0.41 2.14 -0.20 0.00 -1.82 0.00 0.00 55.36 55.89 1pwu s GLN 522 Cb -0.10 -2.84 0.30 0.00 -1.09 0.00 0.00 33.01 29.27 1pwu s GLN 522 CO 0.31 -0.39 1.09 -0.98 -1.32 0.00 0.00 175.29 174.00 1pwu s ARG 523 N -2.12 -1.42 -1.08 9.60 1.70 -1.26 -4.43 118.95 119.94 1pwu s ARG 523 Ca 0.55 -0.03 -0.16 0.00 -0.47 0.00 0.00 55.73 55.62 1pwu s ARG 523 Cb -0.38 -1.57 -0.02 0.00 -0.57 0.00 0.00 34.95 32.41 1pwu s ARG 523 CO 0.49 -3.85 0.81 0.09 -1.08 0.00 0.00 175.30 171.76 1pwu n ASN 524 N -4.87 -5.78 -4.29 -2.89 5.03 -0.42 -5.01 115.26 97.02 1pwu n ASN 524 Ca 0.13 -0.89 -0.28 0.00 0.87 0.00 0.00 54.58 54.41 1pwu n ASN 524 Cb 0.59 -3.84 -0.15 0.00 -1.02 0.00 0.00 39.78 35.37 1pwu n ASN 524 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1pwu s ILE 525 N -3.40 1.91 0.25 2.41 2.07 -1.09 -4.54 121.20 118.80 1pwu s ILE 525 Ca 0.43 -1.25 -0.02 0.00 -1.41 0.00 0.00 60.65 58.39 1pwu s ILE 525 Cb -0.13 -1.63 -0.04 0.00 0.13 0.00 0.00 42.46 40.78 1pwu s ILE 525 CO 0.83 0.33 0.46 -0.83 -1.91 0.00 0.00 174.94 173.81 1pwu s GLY 526 N -1.11 1.75 -0.21 1.50 0.00 0.21 -2.14 107.32 107.32 1pwu s GLY 526 Ca 0.10 -0.76 -0.05 0.00 0.00 0.00 0.00 44.72 44.01 1pwu s GLY 526 CO 0.01 -0.70 0.11 1.08 0.00 0.00 0.00 173.10 173.61 1pwu s LEU 527 N -3.52 0.37 -0.11 0.66 1.43 0.59 -1.13 118.68 116.97 1pwu s LEU 527 Ca 0.40 -0.79 -0.26 0.00 -1.03 0.00 0.00 54.13 52.45 1pwu s LEU 527 Cb -0.11 -0.23 -0.02 0.00 0.03 0.00 0.00 46.19 45.86 1pwu s LEU 527 CO 0.30 -0.37 0.86 -0.70 0.23 0.00 0.00 176.35 176.66 1pwu s GLU 528 N 2.14 4.38 -0.22 1.70 2.12 -0.69 0.67 118.70 128.80 1pwu s GLU 528 Ca 0.04 1.11 -0.25 0.00 0.36 0.00 0.00 54.97 56.24 1pwu s GLU 528 Cb -0.16 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.70 1pwu s GLU 528 CO -0.17 -0.21 0.83 0.42 -0.54 0.00 0.00 175.26 175.59 1pwu s ILE 529 N 1.69 4.85 -0.14 -3.70 1.09 0.14 -1.18 121.20 123.96 1pwu s ILE 529 Ca 0.42 1.59 0.08 0.00 -1.10 0.00 0.00 60.65 61.64 1pwu s ILE 529 Cb -0.18 -4.12 -0.23 0.00 -1.06 0.00 0.00 42.46 36.87 1pwu s ILE 529 CO 0.17 -0.04 0.30 0.29 -0.10 0.00 0.00 174.94 175.55 1pwu n LYS 530 N 5.76 0.68 -3.61 2.79 4.76 0.20 -4.86 118.16 123.88 1pwu n LYS 530 Ca 0.05 0.19 -0.13 0.00 -2.87 0.00 0.00 58.31 55.55 1pwu n LYS 530 Cb 0.48 -1.66 -0.07 0.00 -1.84 0.00 0.00 35.03 31.94 1pwu n LYS 530 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1pwu s ASP 531 N -6.24 -0.61 -0.20 4.39 3.68 -1.15 -4.99 116.67 111.56 1pwu s ASP 531 Ca -0.15 1.05 -0.02 0.00 2.13 0.00 0.00 52.55 55.56 1pwu s ASP 531 Cb 0.07 1.03 0.06 0.00 -1.45 0.00 0.00 42.92 42.63 1pwu s ASP 531 CO 0.78 -0.29 0.02 -0.69 0.13 0.00 0.00 175.17 175.12 1pwu s VAL 532 N -0.07 0.73 0.25 1.11 1.01 -1.26 -0.70 120.40 121.48 1pwu s VAL 532 Ca -0.01 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1pwu s VAL 532 Cb -0.04 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1pwu s VAL 532 CO 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 175.10 175.05 1pwu s GLN 533 N 1.76 1.39 -0.27 2.72 -2.07 -0.80 -4.99 119.66 117.41 1pwu s GLN 533 Ca -0.02 -1.76 -0.10 0.00 -1.82 0.00 0.00 55.36 51.66 1pwu s GLN 533 Cb -0.17 0.05 -0.05 0.00 -1.09 0.00 0.00 33.01 31.75 1pwu s GLN 533 CO -0.08 -0.40 0.17 0.42 -1.32 0.00 0.00 175.29 174.08 1pwu s ILE 534 N -3.87 5.14 0.43 3.63 1.01 -1.26 -0.35 121.20 125.93 1pwu s ILE 534 Ca 0.38 0.11 0.04 0.00 0.00 0.00 0.00 60.65 61.18 1pwu s ILE 534 Cb 0.06 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1pwu s ILE 534 CO 0.15 0.27 0.04 0.27 0.00 0.00 0.00 174.94 175.67 1pwu s ILE 535 N 1.73 1.22 -0.09 2.92 -4.36 -0.69 -4.08 121.20 117.85 1pwu s ILE 535 Ca 0.07 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.49 1pwu s ILE 535 Cb -0.16 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.05 1pwu s ILE 535 CO 0.10 0.00 -0.21 -0.75 0.24 0.00 0.00 174.94 174.32 1pwu s LYS 536 N -3.80 2.66 -0.04 0.37 2.20 -1.26 -1.85 119.74 118.02 1pwu s LYS 536 Ca 0.22 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 1pwu s LYS 536 Cb 0.05 -2.05 0.03 0.00 -1.51 0.00 0.00 37.83 34.34 1pwu s LYS 536 CO 0.11 0.13 -0.01 -1.14 -0.36 0.00 0.00 175.35 174.08 1pwu s GLN 537 N 0.46 0.46 -1.52 4.03 0.74 -0.17 -4.73 119.66 118.92 1pwu s GLN 537 Ca -0.17 0.04 -0.08 0.00 0.05 0.00 0.00 55.36 55.20 1pwu s GLN 537 Cb -0.17 -0.63 0.07 0.00 1.10 0.00 0.00 33.01 33.38 1pwu s GLN 537 CO 0.07 -0.14 0.64 0.43 -0.55 0.00 0.00 175.29 175.74 1pwu n SER 538 N 4.26 -2.03 0.00 6.67 7.64 -1.26 -1.05 113.62 127.85 1pwu n SER 538 Ca -0.23 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.68 1pwu n SER 538 Cb 0.50 -3.13 0.00 0.00 -1.01 0.00 0.00 64.21 60.58 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 -4.43 -1.34 -4.41 1.43 -0.58 -1.26 -4.98 120.64 105.06 1pwu n GLU 539 Ca -0.13 0.34 -0.30 0.00 -0.42 0.00 0.00 57.16 56.65 1pwu n GLU 539 Cb 0.60 -4.53 -0.11 0.00 -0.57 0.00 0.00 31.44 26.82 1pwu n GLU 539 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1pwu s LYS 540 N -1.48 2.00 0.02 3.49 2.20 -0.21 -4.93 119.74 120.83 1pwu s LYS 540 Ca 0.00 -1.05 -0.19 0.00 -0.36 0.00 0.00 55.97 54.36 1pwu s LYS 540 Cb 0.00 -2.20 -0.06 0.00 -1.51 0.00 0.00 37.83 34.06 1pwu s LYS 540 CO 0.00 0.51 0.56 -1.21 -0.36 0.00 0.00 175.35 174.85 1pwu s GLU 541 N -1.88 4.23 0.20 4.03 2.02 -0.40 -1.00 118.70 125.90 1pwu s GLU 541 Ca 0.18 0.69 0.01 0.00 0.02 0.00 0.00 54.97 55.86 1pwu s GLU 541 Cb -0.11 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.78 1pwu s GLU 541 CO 0.09 0.50 0.05 0.71 0.02 0.00 0.00 175.26 176.64 1pwu s TYR 542 N -0.61 1.26 -0.37 1.61 1.51 -0.77 -4.83 117.35 115.14 1pwu s TYR 542 Ca 0.29 -1.14 -0.12 0.00 -1.01 0.00 0.00 57.07 55.08 1pwu s TYR 542 Cb -0.18 -0.71 0.01 0.00 -0.11 0.00 0.00 41.96 40.96 1pwu s TYR 542 CO 0.17 -0.35 0.24 0.42 -1.11 0.00 0.00 175.55 174.92 1pwu s ILE 543 N -3.80 4.97 -0.06 2.71 1.01 -0.17 -1.71 121.20 124.15 1pwu s ILE 543 Ca 0.30 -0.57 -0.28 0.00 0.00 0.00 0.00 60.65 60.10 1pwu s ILE 543 Cb 0.07 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1pwu s ILE 543 CO 0.08 -0.16 0.89 -0.60 0.00 0.00 0.00 174.94 175.15 1pwu s ARG 544 N 1.64 4.47 -0.26 2.79 6.06 0.53 -0.78 118.95 133.40 1pwu s ARG 544 Ca 0.04 1.22 0.02 0.00 -2.50 0.00 0.00 55.73 54.52 1pwu s ARG 544 Cb -0.18 -3.48 0.06 0.00 0.06 0.00 0.00 34.95 31.40 1pwu s ARG 544 CO 0.09 -0.09 -0.10 0.42 -2.50 0.00 0.00 175.30 173.11 1pwu s ILE 545 N 1.25 2.27 -0.33 4.11 1.01 -0.44 -1.90 121.20 127.17 1pwu s ILE 545 Ca 0.46 -1.57 -0.17 0.00 0.00 0.00 0.00 60.65 59.37 1pwu s ILE 545 Cb -0.19 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 1pwu s ILE 545 CO 0.22 -0.01 0.47 -1.81 0.00 0.00 0.00 174.94 173.81 1pwu s ASP 546 N 1.13 6.30 0.11 3.58 1.01 0.13 -1.40 116.67 127.53 1pwu s ASP 546 Ca -0.08 0.04 0.09 0.00 0.71 0.00 0.00 52.55 53.32 1pwu s ASP 546 Cb -0.20 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 1pwu s ASP 546 CO -0.05 -0.40 -0.24 0.00 0.21 0.00 0.00 175.17 174.69 1pwu s ALA 547 N 2.28 2.08 -0.14 5.23 0.00 -0.71 0.61 121.76 131.12 1pwu s ALA 547 Ca 0.17 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1pwu s ALA 547 Cb -0.16 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 1pwu s ALA 547 CO 0.12 0.45 -0.18 0.21 0.00 0.00 0.00 175.76 176.36 1pwu s LYS 548 N -1.89 3.16 0.28 0.00 2.20 -0.32 -0.76 119.74 122.41 1pwu s LYS 548 Ca 0.10 -0.79 -0.29 0.00 -0.36 0.00 0.00 55.97 54.62 1pwu s LYS 548 Cb -0.10 -2.51 -0.10 0.00 -1.51 0.00 0.00 37.83 33.61 1pwu s LYS 548 CO 0.05 0.08 1.37 0.08 -0.36 0.00 0.00 175.35 176.57 1pwu s VAL 549 N 0.64 2.74 0.13 4.02 1.01 -0.30 -1.71 120.40 126.93 1pwu s VAL 549 Ca -0.10 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 1pwu s VAL 549 Cb -0.16 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1pwu s VAL 549 CO 0.02 0.13 0.13 0.68 0.00 0.00 0.00 175.10 176.06 1pwu s VAL 550 N -0.45 0.10 0.14 2.92 -7.23 -0.29 -4.69 120.40 110.92 1pwu s VAL 550 Ca 0.55 -1.68 -0.32 0.00 -1.81 0.00 0.00 61.98 58.71 1pwu s VAL 550 Cb -0.40 -1.89 -0.12 0.00 0.56 0.00 0.00 36.38 34.53 1pwu s VAL 550 CO 0.47 -0.47 1.77 -2.65 -0.31 0.00 0.00 175.10 173.91 1pwu n PRO 551 N -0.11 2.67 -0.17 4.82 -0.02 -1.26 -0.62 135.00 140.31 1pwu n PRO 551 Ca -0.07 0.97 0.12 0.00 -2.02 0.00 0.00 63.50 62.49 1pwu n PRO 551 Cb 0.63 -2.83 0.44 0.00 -0.02 0.00 0.00 33.50 31.73 1pwu n PRO 551 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pwu h LYS 552 N 7.68 0.53 -0.75 -0.52 3.64 -1.84 -0.99 116.57 124.33 1pwu h LYS 552 Ca -0.45 -0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.06 1pwu h LYS 552 Cb 1.22 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 1pwu h LYS 552 CO 0.94 0.35 0.51 0.66 -2.27 0.00 0.00 179.45 179.64 1pwu h SER 553 N 0.55 0.30 -0.71 4.20 4.64 -1.92 0.30 113.55 120.90 1pwu h SER 553 Ca 0.35 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.64 1pwu h SER 553 Cb 0.60 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 1pwu h SER 553 CO -0.12 0.15 0.26 0.50 -0.87 0.00 0.00 176.83 176.74 1pwu h LYS 554 N 0.31 1.09 0.02 4.77 1.63 -1.54 -2.36 116.57 120.49 1pwu h LYS 554 Ca 0.37 -0.21 -0.22 0.00 -0.85 0.00 0.00 60.65 59.74 1pwu h LYS 554 Cb 1.00 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.46 1pwu h LYS 554 CO -0.10 0.91 -0.96 0.82 -3.45 0.00 0.00 179.45 176.67 1pwu h ILE 555 N 1.06 1.46 -0.16 2.00 2.04 -0.55 -3.29 117.51 120.07 1pwu h ILE 555 Ca 0.24 -2.62 -0.00 0.00 1.00 0.00 0.00 64.86 63.47 1pwu h ILE 555 Cb 0.25 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 1pwu h ILE 555 CO -0.01 0.77 0.09 0.44 0.00 0.00 0.00 178.15 179.44 1pwu h ASP 556 N 0.15 0.20 0.22 1.72 3.45 -0.86 -2.59 116.42 118.71 1pwu h ASP 556 Ca -0.07 -0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.29 1pwu h ASP 556 Cb 1.61 -0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 40.33 1pwu h ASP 556 CO 0.16 0.22 -0.09 0.71 -1.57 0.00 0.00 179.24 178.67 1pwu h THR 557 N 0.16 0.64 -0.25 0.35 1.35 -1.53 -0.16 112.91 113.46 1pwu h THR 557 Ca 0.06 -0.37 -0.02 0.00 -0.55 0.00 0.00 66.41 65.53 1pwu h THR 557 Cb 0.07 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 1pwu h THR 557 CO -0.01 0.09 0.06 0.11 -0.25 0.00 0.00 175.52 175.52 1pwu h LYS 558 N 0.00 0.40 -0.31 4.72 1.57 -1.54 0.04 116.57 121.46 1pwu h LYS 558 Ca -0.00 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1pwu h LYS 558 Cb 0.22 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1pwu h LYS 558 CO 0.01 0.50 0.18 0.82 -0.57 0.00 0.00 179.45 180.39 1pwu h ILE 559 N 0.23 1.11 -0.45 1.86 2.04 -0.88 -0.14 117.51 121.28 1pwu h ILE 559 Ca 0.08 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.74 1pwu h ILE 559 Cb 0.28 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 1pwu h ILE 559 CO 0.00 0.11 0.14 -0.61 0.00 0.00 0.00 178.15 177.79 1pwu h GLN 560 N 0.39 0.28 -0.12 2.37 -0.00 -0.95 -0.46 115.11 116.63 1pwu h GLN 560 Ca 0.11 -0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.75 1pwu h GLN 560 Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.43 1pwu h GLN 560 CO -0.02 0.19 0.05 0.93 0.00 0.00 0.00 178.83 179.98 1pwu h GLU 561 N 0.29 0.12 -0.04 1.69 5.08 -0.45 -2.35 114.58 118.93 1pwu h GLU 561 Ca 0.22 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1pwu h GLU 561 Cb 0.24 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1pwu h GLU 561 CO -0.24 0.08 -0.16 0.00 -1.00 0.00 0.00 179.01 177.69 1pwu h ALA 562 N 1.06 -0.16 -0.50 3.43 0.00 -0.57 -0.08 119.26 122.44 1pwu h ALA 562 Ca 0.05 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1pwu h ALA 562 Cb 0.01 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 1pwu h ALA 562 CO -0.04 -0.64 -0.21 0.37 0.00 0.00 0.00 179.25 178.74 1pwu h GLN 563 N -0.24 -0.09 -0.27 0.00 4.15 -0.86 0.36 115.11 118.15 1pwu h GLN 563 Ca 0.07 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.53 1pwu h GLN 563 Cb 0.33 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 1pwu h GLN 563 CO -0.18 -0.06 0.06 1.25 -1.93 0.00 0.00 178.83 177.97 1pwu h LEU 564 N -0.09 0.02 -0.16 -2.39 5.85 -0.98 -2.13 115.31 115.43 1pwu h LEU 564 Ca 0.24 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.03 1pwu h LEU 564 Cb 0.46 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1pwu h LEU 564 CO -0.56 0.05 -0.03 -1.13 -0.34 0.00 0.00 178.44 176.43 1pwu h ASN 565 N 0.16 -0.13 0.38 1.25 -0.73 0.10 -1.75 115.58 114.87 1pwu h ASN 565 Ca 0.12 0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.31 1pwu h ASN 565 Cb 0.12 0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.80 1pwu h ASN 565 CO -0.16 -0.04 -0.16 -0.29 -0.37 0.00 0.00 177.43 176.41 1pwu h ILE 566 N 0.01 0.72 -0.06 2.57 2.10 -0.22 -1.88 117.51 120.75 1pwu h ILE 566 Ca 0.08 -0.66 -0.24 0.00 1.08 0.00 0.00 64.86 65.11 1pwu h ILE 566 Cb 0.11 1.41 0.01 0.00 -1.09 0.00 0.00 36.82 37.26 1pwu h ILE 566 CO -0.16 0.16 -0.92 0.78 -1.08 0.00 0.00 178.15 176.93 1pwu h ASN 567 N 0.00 0.85 -0.52 2.19 2.35 -0.84 -2.39 115.58 117.23 1pwu h ASN 567 Ca -0.00 -0.63 -0.08 0.00 -0.55 0.00 0.00 56.30 55.04 1pwu h ASN 567 Cb 0.39 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1pwu h ASN 567 CO 0.02 1.43 0.05 1.56 -1.65 0.00 0.00 177.43 178.84 1pwu h GLN 568 N 0.42 0.93 -0.29 0.81 4.20 -0.91 -1.06 115.11 119.21 1pwu h GLN 568 Ca -0.09 -0.25 -0.08 0.00 0.06 0.00 0.00 58.65 58.29 1pwu h GLN 568 Cb 1.56 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 1pwu h GLN 568 CO 0.18 0.89 -0.12 1.49 -0.67 0.00 0.00 178.83 180.60 1pwu h GLU 569 N 0.87 0.60 0.04 1.46 4.81 -1.33 -3.15 114.58 117.88 1pwu h GLU 569 Ca 0.17 -0.25 -0.23 0.00 -0.13 0.00 0.00 59.36 58.92 1pwu h GLU 569 Cb 0.45 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1pwu h GLU 569 CO 0.02 0.82 -1.07 -1.49 -0.73 0.00 0.00 179.01 176.56 1pwu h TRP 570 N 0.35 0.15 -0.90 0.92 4.06 -1.36 -2.67 115.95 116.50 1pwu h TRP 570 Ca 0.07 -0.11 0.08 0.00 2.06 0.00 0.00 58.89 60.99 1pwu h TRP 570 Cb 0.63 -0.01 -0.07 0.00 -1.00 0.00 0.00 29.16 28.72 1pwu h TRP 570 CO 0.06 1.09 0.56 -0.91 -3.56 0.00 0.00 178.44 175.67 1pwu h ASN 571 N 0.02 0.85 0.06 -3.49 -0.26 -1.27 0.52 115.58 112.00 1pwu h ASN 571 Ca -0.05 0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1pwu h ASN 571 Cb 1.83 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 38.95 1pwu h ASN 571 CO 0.15 0.51 -0.03 0.50 -1.06 0.00 0.00 177.43 177.50 1pwu h LYS 572 N 0.96 -0.08 0.00 0.81 3.64 -1.55 -0.18 116.57 120.18 1pwu h LYS 572 Ca 0.42 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.79 1pwu h LYS 572 Cb 0.29 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1pwu h LYS 572 CO -0.21 0.23 -0.04 0.00 -2.27 0.00 0.00 179.45 177.16 1pwu h ALA 573 N 0.52 1.65 -0.11 5.00 0.00 -1.03 -2.22 119.26 123.07 1pwu h ALA 573 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pwu h ALA 573 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1pwu h ALA 573 CO 0.01 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1pwu n LEU 574 N -4.08 2.85 -0.65 0.00 4.77 0.11 -4.95 117.00 115.05 1pwu n LEU 574 Ca -0.03 -1.14 -0.09 0.00 -0.03 0.00 0.00 56.01 54.73 1pwu n LEU 574 Cb 0.12 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1pwu n LEU 574 CO 0.31 0.53 -0.08 0.61 -1.33 0.00 0.00 177.39 177.42 1pwu n GLY 575 N 1.18 0.98 3.79 -0.72 0.00 -0.66 -4.90 105.19 104.87 1pwu n GLY 575 Ca 0.13 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.94 3.44 0.44 0.99 1.43 -0.17 -4.98 118.68 117.90 1pwu s LEU 576 Ca 0.00 1.85 -0.25 0.00 -1.03 0.00 0.00 54.13 54.71 1pwu s LEU 576 Cb 0.00 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.59 1pwu s LEU 576 CO 0.00 -1.32 1.21 -2.65 0.23 0.00 0.00 176.35 173.82 1pwu n PRO 577 N -2.23 1.75 -1.86 1.29 -0.02 -1.26 -4.60 135.00 128.07 1pwu n PRO 577 Ca 0.09 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 1pwu n PRO 577 Cb 0.53 -2.33 -0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1pwu n PRO 577 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1pwu s LYS 578 N -2.26 4.12 0.00 -0.52 2.20 -1.26 -2.40 119.74 119.63 1pwu s LYS 578 Ca 0.63 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.74 1pwu s LYS 578 Cb -0.50 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1pwu s LYS 578 CO 0.56 -0.49 0.00 0.66 -0.36 0.00 0.00 175.35 175.72 1pwu n TYR 579 N 0.47 0.00 -2.38 4.03 0.53 -1.26 -5.02 117.16 113.52 1pwu n TYR 579 Ca 0.01 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.49 1pwu n TYR 579 Cb 0.40 -0.01 -0.04 0.00 -1.03 0.00 0.00 39.34 38.66 1pwu n TYR 579 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 1pwu s THR 580 N -2.00 3.35 -0.75 -0.72 2.01 -1.01 -4.97 115.64 111.55 1pwu s THR 580 Ca 0.00 1.31 -0.08 0.00 0.31 0.00 0.00 61.69 63.23 1pwu s THR 580 Cb 0.00 -3.83 0.19 0.00 0.01 0.00 0.00 72.50 68.87 1pwu s THR 580 CO 0.00 0.29 0.63 -0.54 -0.69 0.00 0.00 174.62 174.31 1pwu s LYS 581 N -1.27 3.13 -0.27 4.92 1.02 -1.26 -4.86 119.74 121.15 1pwu s LYS 581 Ca 0.47 -2.58 -0.12 0.00 0.02 0.00 0.00 55.97 53.76 1pwu s LYS 581 Cb -0.34 -4.08 -0.12 0.00 -0.52 0.00 0.00 37.83 32.77 1pwu s LYS 581 CO 0.42 -1.23 -0.34 -0.11 -0.92 0.00 0.00 175.35 173.18 1pwu n LEU 582 N 3.58 2.04 -4.81 3.17 7.94 -1.26 -4.86 117.00 122.80 1pwu n LEU 582 Ca 0.12 0.27 -0.38 0.00 -1.11 0.00 0.00 56.01 54.92 1pwu n LEU 582 Cb 0.42 -0.81 -0.06 0.00 0.53 0.00 0.00 43.42 43.50 1pwu n LEU 582 CO 0.34 0.61 0.12 -0.63 -1.11 0.00 0.00 177.39 176.72 1pwu s ILE 583 N -2.50 5.05 -0.03 1.96 1.01 -1.26 -1.12 121.20 124.32 1pwu s ILE 583 Ca -0.38 0.87 0.04 0.00 0.00 0.00 0.00 60.65 61.18 1pwu s ILE 583 Cb 0.14 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 1pwu s ILE 583 CO 0.49 0.52 -0.15 -0.89 0.00 0.00 0.00 174.94 174.92 1pwu s THR 584 N -0.69 1.20 -0.18 2.92 2.01 0.07 -4.92 115.64 116.05 1pwu s THR 584 Ca 0.24 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 1pwu s THR 584 Cb -0.16 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 1pwu s THR 584 CO 0.13 0.35 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.02 1pwu s PHE 585 N -0.09 3.02 -0.53 4.92 2.99 -1.26 -0.82 117.98 126.21 1pwu s PHE 585 Ca 0.00 -0.42 0.05 0.00 0.00 0.00 0.00 56.93 56.56 1pwu s PHE 585 Cb -0.09 -2.02 0.18 0.00 0.00 0.00 0.00 43.02 41.10 1pwu s PHE 585 CO 0.01 -0.16 0.45 -1.71 -0.00 0.00 0.00 175.22 173.80 1pwu n ASN 586 N 3.92 1.16 -4.51 1.36 2.85 -0.27 -4.97 115.26 114.80 1pwu n ASN 586 Ca -0.17 -2.79 -0.34 0.00 -0.11 0.00 0.00 54.58 51.17 1pwu n ASN 586 Cb 0.52 -0.64 -0.12 0.00 1.24 0.00 0.00 39.78 40.78 1pwu n ASN 586 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1pwu s VAL 587 N -0.81 3.76 0.00 3.44 1.01 -1.26 -2.53 120.40 124.00 1pwu s VAL 587 Ca 0.31 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1pwu s VAL 587 Cb 0.03 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1pwu s VAL 587 CO -0.17 0.53 0.00 1.41 0.00 0.00 0.00 175.10 176.87 1pwu n HIS 588 N 3.11 0.00 -3.97 5.22 8.25 -1.26 -5.02 115.22 121.55 1pwu n HIS 588 Ca -0.18 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.16 1pwu n HIS 588 Cb 0.53 0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.64 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 0.00 2.15 0.00 0.41 5.03 -1.26 -3.73 115.26 117.86 1pwu n ASN 589 Ca 0.00 -1.89 0.00 0.00 0.87 0.00 0.00 54.58 53.56 1pwu n ASN 589 Cb 0.22 0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.05 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 -0.82 0.00 -0.62 3.52 5.12 -0.43 -1.93 116.66 121.50 1pwu n ARG 590 Ca -0.05 0.42 0.06 0.00 -1.93 0.00 0.00 57.85 56.35 1pwu n ARG 590 Cb 0.27 -1.50 0.17 0.00 -1.16 0.00 0.00 32.46 30.24 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 -1.42 0.00 -0.04 -1.55 9.36 -1.26 -4.47 117.16 117.78 1pwu n TYR 591 Ca 0.00 -1.27 -0.01 0.00 3.32 0.00 0.00 57.90 59.94 1pwu n TYR 591 Cb 0.00 -0.22 -0.01 0.00 -0.63 0.00 0.00 39.34 38.48 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 -0.95 -0.06 -0.34 2.98 0.00 -0.81 -1.35 120.51 119.97 1pwu n ALA 592 Ca 0.17 0.09 0.25 0.00 0.00 0.00 0.00 53.44 53.95 1pwu n ALA 592 Cb 0.74 0.31 0.54 0.00 0.00 0.00 0.00 19.45 21.04 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 0.39 0.77 0.00 4.64 -1.71 -0.47 113.55 117.17 1pwu h SER 593 Ca 0.02 0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 1pwu h SER 593 Cb 0.04 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1pwu h SER 593 CO -0.09 0.04 -0.46 -1.13 -0.87 0.00 0.00 176.83 174.31 1pwu h ASN 594 N 0.33 0.00 -0.37 4.97 -0.73 -1.15 -1.70 115.58 116.93 1pwu h ASN 594 Ca 0.63 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.73 1pwu h ASN 594 Cb 1.70 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.28 1pwu h ASN 594 CO -0.30 0.46 -0.02 0.40 -0.37 0.00 0.00 177.43 177.60 1pwu h ILE 595 N 0.00 1.26 -0.14 2.57 1.08 -1.00 -1.14 117.51 120.14 1pwu h ILE 595 Ca -0.00 -1.02 -0.01 0.00 -0.39 0.00 0.00 64.86 63.44 1pwu h ILE 595 Cb 0.97 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 1pwu h ILE 595 CO 0.06 0.34 0.07 0.58 -0.69 0.00 0.00 178.15 178.51 1pwu h VAL 596 N 0.47 1.12 -0.45 1.67 2.07 -1.41 -2.91 116.25 116.81 1pwu h VAL 596 Ca 0.10 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 1pwu h VAL 596 Cb 0.49 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1pwu h VAL 596 CO 0.02 0.11 -0.11 -0.33 0.02 0.00 0.00 177.57 177.29 1pwu h GLU 597 N 0.11 0.82 -0.77 1.57 4.39 -1.30 -3.06 114.58 116.33 1pwu h GLU 597 Ca 0.05 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.45 1pwu h GLU 597 Cb 0.12 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 1pwu h GLU 597 CO -0.01 0.89 0.37 0.66 -1.16 0.00 0.00 179.01 179.77 1pwu h SER 598 N 0.74 1.00 -0.96 1.42 4.64 -1.16 -2.53 113.55 116.70 1pwu h SER 598 Ca 0.12 -0.11 0.19 0.00 -0.47 0.00 0.00 61.79 61.53 1pwu h SER 598 Cb 0.60 -0.26 -0.09 0.00 -0.31 0.00 0.00 62.40 62.35 1pwu h SER 598 CO 0.04 0.84 0.61 0.00 -0.87 0.00 0.00 176.83 177.45 1pwu h ALA 599 N 1.31 1.94 -0.07 5.18 0.00 -1.40 0.52 119.26 126.74 1pwu h ALA 599 Ca 0.27 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1pwu h ALA 599 Cb 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1pwu h ALA 599 CO -0.03 -0.27 -0.01 1.88 0.00 0.00 0.00 179.25 180.82 1pwu h TYR 600 N 0.59 0.15 -0.79 0.00 -1.99 -1.56 -1.95 116.97 111.42 1pwu h TYR 600 Ca 0.52 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 61.21 1pwu h TYR 600 Cb 1.03 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 39.68 1pwu h TYR 600 CO -0.00 0.42 0.44 -0.07 -0.00 0.00 0.00 178.16 178.95 1pwu h LEU 601 N -0.17 0.99 0.08 3.88 3.38 -0.94 -2.35 115.31 120.17 1pwu h LEU 601 Ca 0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pwu h LEU 601 Cb 0.37 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1pwu h LEU 601 CO 0.01 0.80 -0.04 0.40 0.09 0.00 0.00 178.44 179.70 1pwu h ILE 602 N 1.10 1.01 0.00 1.22 2.04 -0.00 -2.40 117.51 120.47 1pwu h ILE 602 Ca 0.28 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1pwu h ILE 602 Cb 0.03 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1pwu h ILE 602 CO -0.05 0.07 -0.08 -0.07 0.00 0.00 0.00 178.15 178.03 1pwu h LEU 603 N -0.24 0.00 -0.12 1.44 3.38 -1.25 -2.11 115.31 116.41 1pwu h LEU 603 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1pwu h LEU 603 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1pwu h LEU 603 CO 0.02 0.08 -0.03 0.78 0.09 0.00 0.00 178.44 179.38 1pwu h ASN 604 N 0.00 0.24 -0.82 -0.43 2.35 -1.03 -2.05 115.58 113.85 1pwu h ASN 604 Ca -0.00 -0.36 0.07 0.00 -0.55 0.00 0.00 56.30 55.45 1pwu h ASN 604 Cb 0.24 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.48 1pwu h ASN 604 CO 0.01 0.55 0.49 -0.33 -1.65 0.00 0.00 177.43 176.50 1pwu h GLU 605 N -0.07 0.85 0.14 0.81 4.39 -0.92 -1.16 114.58 118.62 1pwu h GLU 605 Ca 0.03 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.69 1pwu h GLU 605 Cb 0.44 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1pwu h GLU 605 CO 0.01 0.56 -0.21 2.35 -1.16 0.00 0.00 179.01 180.56 1pwu h TRP 606 N 0.88 -0.56 -0.12 4.33 7.01 -1.29 -2.22 115.95 123.98 1pwu h TRP 606 Ca 0.37 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.32 1pwu h TRP 606 Cb 0.22 0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.50 1pwu h TRP 606 CO -0.05 -0.31 -0.16 -0.22 -2.79 0.00 0.00 178.44 174.91 1pwu h LYS 607 N -0.42 0.19 0.00 2.65 1.63 -0.95 -2.84 116.57 116.83 1pwu h LYS 607 Ca 0.02 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1pwu h LYS 607 Cb 0.42 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1pwu h LYS 607 CO -0.10 0.36 0.00 -0.91 -3.45 0.00 0.00 179.45 175.35 1pwu h ASN 608 N 0.18 0.00 -0.20 4.20 -0.26 -0.99 -3.34 115.58 115.17 1pwu h ASN 608 Ca 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1pwu h ASN 608 Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 1pwu h ASN 608 CO 0.03 0.00 0.00 0.59 -1.06 0.00 0.00 177.43 176.99 1pwu n ASN 609 N -3.03 3.14 -3.76 5.81 5.03 -0.86 -5.00 115.26 116.61 1pwu n ASN 609 Ca 0.04 -2.67 -0.13 0.00 0.87 0.00 0.00 54.58 52.69 1pwu n ASN 609 Cb 0.49 -0.39 -0.11 0.00 -1.02 0.00 0.00 39.78 38.76 1pwu n ASN 609 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pwu s ILE 610 N -2.19 0.00 0.01 2.41 1.01 -1.16 -4.77 121.20 116.51 1pwu s ILE 610 Ca 0.31 -0.01 -0.36 0.00 0.00 0.00 0.00 60.65 60.59 1pwu s ILE 610 Cb 0.24 -0.48 -0.14 0.00 0.01 0.00 0.00 42.46 42.08 1pwu s ILE 610 CO 0.08 -0.00 1.61 1.67 0.00 0.00 0.00 174.94 178.30 1pwu n GLN 611 N 2.87 1.72 -0.32 2.79 0.00 -1.26 -4.84 117.38 118.34 1pwu n GLN 611 Ca -0.13 0.62 0.19 0.00 -0.00 0.00 0.00 57.00 57.68 1pwu n GLN 611 Cb 0.58 -2.36 0.38 0.00 0.00 0.00 0.00 30.24 28.83 1pwu n GLN 611 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 1pwu h SER 612 N 6.50 0.03 0.20 1.69 0.02 -1.98 0.99 113.55 121.00 1pwu h SER 612 Ca -0.47 0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.61 1pwu h SER 612 Cb 1.29 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 64.12 1pwu h SER 612 CO 0.88 -0.26 -0.37 0.44 -1.14 0.00 0.00 176.83 176.39 1pwu h ASP 613 N 0.14 0.25 -0.42 3.07 3.45 -1.99 -1.55 116.42 119.36 1pwu h ASP 613 Ca 0.65 -0.09 -0.11 0.00 0.43 0.00 0.00 57.03 57.91 1pwu h ASP 613 Cb 1.46 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 40.15 1pwu h ASP 613 CO -0.74 0.60 -0.15 0.25 -1.57 0.00 0.00 179.24 177.63 1pwu h LEU 614 N 0.21 0.86 0.95 1.55 5.85 -1.18 -1.95 115.31 121.60 1pwu h LEU 614 Ca 0.02 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.31 1pwu h LEU 614 Cb 0.75 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.55 1pwu h LEU 614 CO 0.06 1.05 -0.49 0.40 -0.34 0.00 0.00 178.44 179.12 1pwu h ILE 615 N 0.67 0.01 0.01 4.05 1.08 -1.23 -1.13 117.51 120.97 1pwu h ILE 615 Ca 0.10 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.58 1pwu h ILE 615 Cb 0.70 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 1pwu h ILE 615 CO 0.05 0.00 -0.22 0.11 -0.69 0.00 0.00 178.15 177.40 1pwu h LYS 616 N -1.31 -0.27 -0.84 2.37 6.56 -1.30 0.31 116.57 122.09 1pwu h LYS 616 Ca -0.13 0.02 0.14 0.00 -1.06 0.00 0.00 60.65 59.62 1pwu h LYS 616 Cb 1.02 0.06 -0.14 0.00 -0.57 0.00 0.00 32.23 32.59 1pwu h LYS 616 CO 0.19 -0.18 -0.35 0.87 -2.06 0.00 0.00 179.45 177.92 1pwu h LYS 617 N -0.28 -0.06 -0.03 3.15 1.79 -1.40 0.31 116.57 120.05 1pwu h LYS 617 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1pwu h LYS 617 Cb 0.30 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1pwu h LYS 617 CO -0.14 -0.04 -0.01 0.28 -1.08 0.00 0.00 179.45 178.46 1pwu h VAL 618 N -0.06 1.30 -0.82 0.50 2.07 -0.91 -2.64 116.25 115.69 1pwu h VAL 618 Ca 0.31 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1pwu h VAL 618 Cb 0.59 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 1pwu h VAL 618 CO -0.87 0.25 0.53 0.74 0.02 0.00 0.00 177.57 178.23 1pwu h THR 619 N -0.31 1.12 -0.93 2.57 2.02 0.39 -1.27 112.91 116.51 1pwu h THR 619 Ca 0.01 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.85 1pwu h THR 619 Cb 0.40 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 66.78 1pwu h THR 619 CO 0.00 0.19 0.62 0.78 0.37 0.00 0.00 175.52 177.48 1pwu h ASN 620 N 1.02 1.06 -0.68 4.18 2.35 -0.42 0.44 115.58 123.54 1pwu h ASN 620 Ca 0.33 -0.03 0.04 0.00 -0.55 0.00 0.00 56.30 56.09 1pwu h ASN 620 Cb 0.01 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.08 1pwu h ASN 620 CO -0.12 0.77 0.41 0.22 -1.65 0.00 0.00 177.43 177.06 1pwu h TYR 621 N 1.26 0.77 -0.46 1.19 3.20 -0.89 0.16 116.97 122.19 1pwu h TYR 621 Ca 0.35 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.19 1pwu h TYR 621 Cb -0.13 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 37.87 1pwu h TYR 621 CO -0.01 0.42 0.11 -0.07 -1.64 0.00 0.00 178.16 176.97 1pwu h LEU 622 N 0.79 0.71 -0.47 2.82 3.38 0.09 -2.82 115.31 119.81 1pwu h LEU 622 Ca 0.28 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1pwu h LEU 622 Cb 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1pwu h LEU 622 CO -0.12 0.76 0.18 0.58 0.09 0.00 0.00 178.44 179.92 1pwu h VAL 623 N 0.62 1.21 -0.16 1.22 2.07 0.28 0.92 116.25 122.41 1pwu h VAL 623 Ca 0.14 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.04 1pwu h VAL 623 Cb 0.33 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1pwu h VAL 623 CO 0.00 0.25 0.37 0.44 0.02 0.00 0.00 177.57 178.65 1pwu h ASP 624 N 0.61 0.00 -0.42 0.57 3.32 -0.45 0.74 116.42 120.79 1pwu h ASP 624 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1pwu h ASP 624 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1pwu h ASP 624 CO -0.01 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.12 1pwu n GLY 625 N -1.33 3.46 2.44 2.75 0.00 -0.72 -4.94 105.19 106.86 1pwu n GLY 625 Ca 0.02 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 1pwu n GLY 625 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pwu n ASN 626 N 0.12 -5.63 -4.26 1.61 2.85 0.26 -4.73 115.26 105.48 1pwu n ASN 626 Ca 0.24 0.12 -0.29 0.00 -0.11 0.00 0.00 54.58 54.54 1pwu n ASN 626 Cb 0.99 -4.76 0.22 0.00 1.24 0.00 0.00 39.78 37.47 1pwu n ASN 626 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1pwu s GLY 627 N -2.21 1.55 0.06 8.20 0.00 0.24 -4.99 107.32 110.17 1pwu s GLY 627 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 44.72 44.01 1pwu s GLY 627 CO 0.00 0.17 0.25 0.50 0.00 0.00 0.00 173.10 174.01 1pwu s ARG 628 N -5.07 0.80 -0.39 2.90 1.81 -1.23 -4.75 118.95 113.02 1pwu s ARG 628 Ca 0.68 -0.67 -0.09 0.00 -1.72 0.00 0.00 55.73 53.93 1pwu s ARG 628 Cb -0.16 0.34 0.06 0.00 -0.45 0.00 0.00 34.95 34.73 1pwu s ARG 628 CO 0.58 -0.25 0.21 -0.06 -0.68 0.00 0.00 175.30 175.09 1pwu s PHE 629 N -2.96 3.30 -0.27 -0.53 2.99 -0.27 -1.16 117.98 119.07 1pwu s PHE 629 Ca -0.02 -1.37 -0.11 0.00 0.00 0.00 0.00 56.93 55.43 1pwu s PHE 629 Cb 0.01 -2.66 -0.05 0.00 0.00 0.00 0.00 43.02 40.32 1pwu s PHE 629 CO -0.06 -0.77 0.18 0.08 -0.00 0.00 0.00 175.22 174.66 1pwu s VAL 630 N 1.45 5.30 -0.28 -0.44 1.01 -0.36 -0.75 120.40 126.32 1pwu s VAL 630 Ca 0.02 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.09 1pwu s VAL 630 Cb -0.21 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 1pwu s VAL 630 CO 0.03 0.26 0.08 -0.36 0.00 0.00 0.00 175.10 175.12 1pwu s PHE 631 N 1.67 3.13 0.14 5.22 0.40 0.00 -0.87 117.98 127.68 1pwu s PHE 631 Ca 0.07 -0.84 0.00 0.00 -0.60 0.00 0.00 56.93 55.56 1pwu s PHE 631 Cb -0.16 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 1pwu s PHE 631 CO 0.10 -0.52 0.03 -0.08 0.70 0.00 0.00 175.22 175.45 1pwu s THR 632 N 1.53 0.31 -0.08 0.64 -1.32 -0.99 -1.11 115.64 114.62 1pwu s THR 632 Ca 0.04 -1.93 0.12 0.00 -1.21 0.00 0.00 61.69 58.70 1pwu s THR 632 Cb -0.17 -2.06 0.18 0.00 -1.51 0.00 0.00 72.50 68.94 1pwu s THR 632 CO 0.03 -0.48 1.07 -0.90 -2.21 0.00 0.00 174.62 172.13 1pwu n ASP 633 N -0.15 1.83 -4.63 8.08 5.75 -1.05 -2.03 116.55 124.35 1pwu n ASP 633 Ca -0.06 -2.64 -0.24 0.00 -0.01 0.00 0.00 54.79 51.84 1pwu n ASP 633 Cb 0.63 -0.30 -0.08 0.00 -1.03 0.00 0.00 41.12 40.35 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 -1.99 3.43 0.29 2.12 -4.36 -1.26 -4.74 121.20 114.70 1pwu s ILE 634 Ca 0.20 -1.84 -0.29 0.00 -0.26 0.00 0.00 60.65 58.45 1pwu s ILE 634 Cb 0.18 -2.81 -0.10 0.00 1.25 0.00 0.00 42.46 40.98 1pwu s ILE 634 CO 0.02 -0.32 1.43 0.42 0.24 0.00 0.00 174.94 176.73 1pwu s THR 635 N -2.20 2.54 0.31 8.37 -4.23 -0.90 -4.92 115.64 114.62 1pwu s THR 635 Ca 0.30 0.49 0.03 0.00 -1.18 0.00 0.00 61.69 61.33 1pwu s THR 635 Cb -0.07 -3.31 0.38 0.00 1.34 0.00 0.00 72.50 70.84 1pwu s THR 635 CO 0.19 0.09 1.59 -0.07 -0.54 0.00 0.00 174.62 175.89 1pwu h LEU 636 N 4.33 -0.29 -0.72 4.79 4.07 -1.88 0.37 115.31 125.98 1pwu h LEU 636 Ca -0.47 0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1pwu h LEU 636 Cb 1.22 0.41 0.00 0.00 1.08 0.00 0.00 40.66 43.37 1pwu h LEU 636 CO 0.73 -0.31 0.21 -2.65 -1.08 0.00 0.00 178.44 175.33 1pwu n PRO 637 N -5.40 0.07 -0.32 1.13 -0.02 -1.25 -0.40 135.00 128.82 1pwu n PRO 637 Ca 0.24 0.52 0.09 0.00 -2.02 0.00 0.00 63.50 62.33 1pwu n PRO 637 Cb 0.79 -1.95 0.26 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.89 3.62 -4.79 2.55 4.13 0.13 -4.58 115.26 114.44 1pwu n ASN 638 Ca -0.01 -2.06 -0.38 0.00 1.68 0.00 0.00 54.58 53.81 1pwu n ASN 638 Cb 0.22 -0.40 -0.06 0.00 -1.54 0.00 0.00 39.78 38.00 1pwu n ASN 638 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pwu s ILE 639 N -1.11 5.08 -0.75 2.41 1.09 0.46 -4.97 121.20 123.41 1pwu s ILE 639 Ca 0.39 0.86 0.17 0.00 -1.10 0.00 0.00 60.65 60.98 1pwu s ILE 639 Cb 0.21 -3.74 0.16 0.00 -1.06 0.00 0.00 42.46 38.03 1pwu s ILE 639 CO 0.25 0.49 1.53 0.00 -0.10 0.00 0.00 174.94 177.11 1pwu n ALA 640 N 2.49 1.56 0.21 9.38 0.00 -1.26 -2.19 120.51 130.70 1pwu n ALA 640 Ca -0.12 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1pwu n ALA 640 Cb 0.52 -1.28 0.15 0.00 0.00 0.00 0.00 19.45 18.85 1pwu n ALA 640 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pwu h GLU 641 N 0.00 0.00 0.00 0.00 3.07 -1.94 -3.31 114.58 112.40 1pwu h GLU 641 Ca 0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.53 1pwu h GLU 641 Cb 0.25 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.12 1pwu h GLU 641 CO 0.00 0.01 -2.08 0.94 -1.40 0.00 0.00 179.01 176.48 1pwu n GLN 642 N -3.07 0.48 0.16 2.33 7.27 -0.93 -4.58 117.38 119.04 1pwu n GLN 642 Ca 0.04 0.21 0.01 0.00 0.07 0.00 0.00 57.00 57.33 1pwu n GLN 642 Cb 0.54 -1.31 0.28 0.00 2.41 0.00 0.00 30.24 32.15 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 -0.83 0.00 0.00 3.69 -0.00 -1.63 -2.73 116.97 115.47 1pwu h TYR 643 Ca -0.50 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.20 1pwu h TYR 643 Cb 1.41 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.14 1pwu h TYR 643 CO -0.12 0.48 -0.15 1.79 -0.00 0.00 0.00 178.16 180.16 1pwu h THR 644 N 0.00 0.52 -0.66 -0.90 1.35 -1.83 -2.20 112.91 109.20 1pwu h THR 644 Ca -0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1pwu h THR 644 Cb 0.86 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1pwu h THR 644 CO 0.06 0.15 0.00 1.41 -0.25 0.00 0.00 175.52 176.89 1pwu n HIS 645 N -3.51 0.90 -3.38 4.73 8.25 -1.03 -4.93 115.22 116.24 1pwu n HIS 645 Ca -0.01 -0.44 -0.35 0.00 -0.26 0.00 0.00 57.72 56.66 1pwu n HIS 645 Cb 0.30 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.15 3.94 0.01 -0.41 -0.21 -0.83 -4.99 119.66 116.02 1pwu s GLN 646 Ca 0.44 0.44 -0.09 0.00 0.02 0.00 0.00 55.36 56.17 1pwu s GLN 646 Cb 0.23 -2.89 -0.31 0.00 1.00 0.00 0.00 33.01 31.05 1pwu s GLN 646 CO 0.30 0.46 0.90 -0.44 -2.12 0.00 0.00 175.29 174.38 1pwu h ASP 647 N 3.40 0.58 -4.57 5.90 3.32 -1.92 -3.47 116.42 119.66 1pwu h ASP 647 Ca -0.48 -0.72 -0.32 0.00 0.02 0.00 0.00 57.03 55.52 1pwu h ASP 647 Cb 1.19 -0.19 -0.20 0.00 0.22 0.00 0.00 39.33 40.35 1pwu h ASP 647 CO 0.66 1.59 -0.74 -1.61 -1.72 0.00 0.00 179.24 177.41 1pwu s GLU 648 N -2.61 0.71 0.12 3.56 0.41 -1.26 -5.06 118.70 114.57 1pwu s GLU 648 Ca -0.10 -0.95 -0.29 0.00 -0.41 0.00 0.00 54.97 53.22 1pwu s GLU 648 Cb 0.06 -0.51 -0.08 0.00 -1.78 0.00 0.00 34.13 31.82 1pwu s GLU 648 CO 0.88 0.09 1.60 0.82 -0.49 0.00 0.00 175.26 178.17 1pwu h ILE 649 N 4.12 0.23 0.00 -1.63 1.08 -1.91 -2.45 117.51 116.95 1pwu h ILE 649 Ca -0.38 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 1pwu h ILE 649 Cb 1.19 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 1pwu h ILE 649 CO 0.45 0.00 0.06 0.00 -0.69 0.00 0.00 178.15 177.96 1pwu n TYR 650 N -5.44 0.00 0.84 1.37 0.18 -1.26 -1.49 117.16 111.36 1pwu n TYR 650 Ca -0.06 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.85 1pwu n TYR 650 Cb 0.35 -0.32 0.54 0.00 -0.38 0.00 0.00 39.34 39.53 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 -1.30 0.06 -1.34 -3.48 1.02 -0.92 -4.80 120.64 109.88 1pwu n GLU 651 Ca 0.00 0.09 -0.37 0.00 -0.02 0.00 0.00 57.16 56.86 1pwu n GLU 651 Cb 0.06 -1.57 0.05 0.00 -0.02 0.00 0.00 31.44 29.95 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 -1.67 0.36 -3.78 3.49 10.64 -0.56 -5.03 117.38 120.83 1pwu n GLN 652 Ca 0.06 0.15 -0.13 0.00 -1.83 0.00 0.00 57.00 55.25 1pwu n GLN 652 Cb 0.33 -1.69 -0.14 0.00 -0.86 0.00 0.00 30.24 27.89 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 -1.84 -0.03 -0.05 -0.39 1.01 -1.26 -5.05 120.40 112.79 1pwu s VAL 653 Ca 0.65 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.81 1pwu s VAL 653 Cb -0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1pwu s VAL 653 CO 0.58 0.05 -0.24 -2.28 0.00 0.00 0.00 175.10 173.20 1pwu s HIS 654 N 0.77 2.31 0.03 5.22 5.04 -1.26 -3.77 115.29 123.63 1pwu s HIS 654 Ca -0.06 -0.63 -0.08 0.00 -1.54 0.00 0.00 55.06 52.75 1pwu s HIS 654 Cb -0.08 -1.51 0.03 0.00 0.04 0.00 0.00 32.58 31.06 1pwu s HIS 654 CO -0.04 -0.17 0.39 -1.13 -2.34 0.00 0.00 174.74 171.45 1pwu n SER 655 N 2.85 -0.49 0.09 9.88 3.41 -1.26 -5.03 113.62 123.07 1pwu n SER 655 Ca -0.17 -1.19 -0.13 0.00 -0.26 0.00 0.00 58.87 57.12 1pwu n SER 655 Cb 0.52 0.79 -0.07 0.00 -0.26 0.00 0.00 64.21 65.19 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 -0.15 -4.83 4.33 1.63 -1.90 -3.40 116.57 112.25 1pwu h LYS 656 Ca -0.08 0.01 -0.41 0.00 -0.85 0.00 0.00 60.65 59.32 1pwu h LYS 656 Cb 0.40 0.03 -0.14 0.00 -0.60 0.00 0.00 32.23 31.93 1pwu h LYS 656 CO 0.11 -0.10 -0.53 0.20 -3.45 0.00 0.00 179.45 175.68 1pwu s GLY 657 N -2.20 2.10 -0.30 5.01 0.00 -1.26 -0.27 107.32 110.40 1pwu s GLY 657 Ca -0.14 -1.89 -0.16 0.00 0.00 0.00 0.00 44.72 42.53 1pwu s GLY 657 CO 0.65 -1.49 1.18 -2.27 0.00 0.00 0.00 173.10 171.17 1pwu s LEU 658 N -3.34 -0.20 -0.18 0.66 2.96 -0.61 -4.95 118.68 113.02 1pwu s LEU 658 Ca 0.39 0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 54.54 1pwu s LEU 658 Cb 0.04 1.30 -0.04 0.00 0.50 0.00 0.00 46.19 47.98 1pwu s LEU 658 CO 0.22 -0.05 0.08 -0.47 -1.32 0.00 0.00 176.35 174.81 1pwu s TYR 659 N 1.10 3.31 -0.28 5.38 5.04 -1.26 -0.52 117.35 130.13 1pwu s TYR 659 Ca -0.08 0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.73 1pwu s TYR 659 Cb -0.03 -2.09 0.05 0.00 0.35 0.00 0.00 41.96 40.25 1pwu s TYR 659 CO -0.11 0.23 -0.05 0.08 -1.34 0.00 0.00 175.55 174.35 1pwu s VAL 660 N 0.27 2.62 0.11 3.14 1.01 -0.32 -4.97 120.40 122.26 1pwu s VAL 660 Ca 0.05 -1.49 -0.25 0.00 0.00 0.00 0.00 61.98 60.29 1pwu s VAL 660 Cb -0.12 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.67 1pwu s VAL 660 CO -0.00 -0.07 1.66 -0.65 0.00 0.00 0.00 175.10 176.04 1pwu h PRO 661 N 7.90 -0.33 -1.06 2.72 0.11 -1.95 0.87 132.00 140.25 1pwu h PRO 661 Ca -0.20 0.02 0.28 0.00 0.11 0.00 0.00 66.00 66.21 1pwu h PRO 661 Cb 1.05 0.08 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 1pwu h PRO 661 CO 0.50 -0.22 0.70 0.93 -0.21 0.00 0.00 178.00 179.70 1pwu h GLU 662 N -0.35 0.29 -0.10 1.05 3.07 -1.94 0.63 114.58 117.23 1pwu h GLU 662 Ca 0.04 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1pwu h GLU 662 Cb 0.39 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1pwu h GLU 662 CO -0.14 0.19 0.00 -1.13 -1.40 0.00 0.00 179.01 176.53 1pwu n SER 663 N -4.53 2.00 -4.16 1.42 3.41 -1.07 -5.01 113.62 105.68 1pwu n SER 663 Ca 0.25 -1.61 -0.37 0.00 -0.26 0.00 0.00 58.87 56.88 1pwu n SER 663 Cb 0.95 -0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.80 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 0.23 -0.88 -4.21 4.33 1.74 0.30 -3.77 116.66 114.39 1pwu n ARG 664 Ca 0.05 0.13 -0.17 0.00 -0.77 0.00 0.00 57.85 57.08 1pwu n ARG 664 Cb 0.25 -3.26 -0.12 0.00 -1.02 0.00 0.00 32.46 28.31 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 -4.00 1.36 -0.15 0.55 0.01 -0.85 -3.58 113.70 107.05 1pwu s SER 665 Ca 0.22 -0.50 -0.09 0.00 1.31 0.00 0.00 55.95 56.90 1pwu s SER 665 Cb -0.12 -0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.02 1pwu s SER 665 CO 0.97 -0.06 0.16 -0.63 0.41 0.00 0.00 173.24 174.10 1pwu s ILE 666 N -1.05 5.42 -0.16 1.44 -1.09 -0.31 -1.17 121.20 124.29 1pwu s ILE 666 Ca -0.02 0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.67 1pwu s ILE 666 Cb -0.09 -3.47 0.02 0.00 -1.58 0.00 0.00 42.46 37.35 1pwu s ILE 666 CO 0.01 0.52 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.30 1pwu s LEU 667 N -0.32 1.98 -0.25 2.97 1.43 0.32 -1.23 118.68 123.60 1pwu s LEU 667 Ca 0.13 -0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1pwu s LEU 667 Cb -0.12 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.74 1pwu s LEU 667 CO 0.02 -0.00 -0.03 -0.22 0.23 0.00 0.00 176.35 176.35 1pwu s LEU 668 N 1.24 3.21 -0.39 1.79 2.96 -0.05 -1.58 118.68 125.87 1pwu s LEU 668 Ca 0.02 -0.67 -0.21 0.00 -0.22 0.00 0.00 54.13 53.05 1pwu s LEU 668 Cb -0.13 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.84 1pwu s LEU 668 CO -0.10 -0.10 0.65 -2.28 -1.32 0.00 0.00 176.35 173.20 1pwu s HIS 669 N 1.41 3.11 0.00 5.38 5.65 0.63 -2.35 115.29 129.12 1pwu s HIS 669 Ca 0.03 0.19 0.00 0.00 0.25 0.00 0.00 55.06 55.53 1pwu s HIS 669 Cb -0.16 -3.25 0.00 0.00 -1.18 0.00 0.00 32.58 27.99 1pwu s HIS 669 CO -0.03 -0.74 0.90 0.41 -0.65 0.00 0.00 174.74 174.64 1pwu n GLY 670 N 4.82 -2.56 0.63 1.59 0.00 -0.86 -3.87 105.19 104.95 1pwu n GLY 670 Ca -0.01 0.01 0.47 0.00 0.00 0.00 0.00 46.02 46.49 1pwu n GLY 670 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pwu h PRO 671 N 0.00 0.02 -7.26 1.61 0.11 -1.84 -3.43 132.00 121.20 1pwu h PRO 671 Ca 0.00 -0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.61 1pwu h PRO 671 Cb 0.00 -0.00 0.06 0.00 0.11 0.00 0.00 31.00 31.16 1pwu h PRO 671 CO 0.00 0.01 0.33 -1.54 -0.21 0.00 0.00 178.00 176.59 1pwu s SER 672 N -4.26 6.05 -0.24 -2.05 1.04 -1.25 -1.34 113.70 111.64 1pwu s SER 672 Ca -0.05 1.20 -0.04 0.00 0.48 0.00 0.00 55.95 57.53 1pwu s SER 672 Cb 0.27 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 64.13 1pwu s SER 672 CO 0.87 -0.90 -0.02 -0.75 0.98 0.00 0.00 173.24 173.42 1pwu s LYS 673 N -5.10 3.21 0.30 4.02 2.47 -1.26 -4.58 119.74 118.80 1pwu s LYS 673 Ca 0.54 -0.75 -0.29 0.00 -1.56 0.00 0.00 55.97 53.91 1pwu s LYS 673 Cb -0.11 -3.09 -0.10 0.00 -1.46 0.00 0.00 37.83 33.07 1pwu s LYS 673 CO 0.51 -0.29 1.35 0.20 0.16 0.00 0.00 175.35 177.28 1pwu s GLY 674 N 1.45 2.79 -0.44 5.54 0.00 -1.26 -4.85 107.32 110.55 1pwu s GLY 674 Ca 0.04 1.29 -0.27 0.00 0.00 0.00 0.00 44.72 45.78 1pwu s GLY 674 CO -0.02 2.04 2.38 1.55 0.00 0.00 0.00 173.10 179.05 1pwu n VAL 675 N 1.29 0.01 -3.05 1.40 3.14 -1.26 -3.21 118.33 116.65 1pwu n VAL 675 Ca 0.02 -0.71 -0.13 0.00 -2.96 0.00 0.00 64.34 60.56 1pwu n VAL 675 Cb 0.41 -2.71 0.01 0.00 -1.06 0.00 0.00 33.84 30.49 1pwu n VAL 675 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1pwu n GLU 676 N 8.94 -2.10 -3.57 1.45 -0.58 -1.26 -4.97 120.64 118.55 1pwu n GLU 676 Ca 0.36 1.84 -0.16 0.00 -0.42 0.00 0.00 57.16 58.78 1pwu n GLU 676 Cb 0.52 -4.88 -0.06 0.00 -0.57 0.00 0.00 31.44 26.44 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 -2.91 -0.67 0.00 -4.62 1.43 -1.20 -5.09 118.68 105.61 1pwu s LEU 677 Ca 0.22 0.98 0.11 0.00 -1.03 0.00 0.00 54.13 54.41 1pwu s LEU 677 Cb -0.05 2.47 -0.03 0.00 0.03 0.00 0.00 46.19 48.61 1pwu s LEU 677 CO 0.79 -0.45 0.63 -2.11 0.23 0.00 0.00 176.35 175.44 1pwu n ARG 678 N 1.59 2.30 -4.20 1.70 1.85 -1.26 -4.67 116.66 113.97 1pwu n ARG 678 Ca -0.17 -0.51 -0.12 0.00 -1.00 0.00 0.00 57.85 56.05 1pwu n ARG 678 Cb 0.56 -1.10 -0.10 0.00 -1.05 0.00 0.00 32.46 30.77 1pwu n ARG 678 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1pwu s ASN 679 N -1.59 0.60 0.46 2.89 0.01 -1.26 -5.00 114.94 111.05 1pwu s ASN 679 Ca 0.08 -1.25 0.26 0.00 -0.71 0.00 0.00 52.86 51.24 1pwu s ASN 679 Cb 0.09 0.25 0.74 0.00 0.41 0.00 0.00 41.25 42.75 1pwu s ASN 679 CO 0.32 -0.71 1.75 0.44 -1.51 0.00 0.00 177.10 177.39 1pwu h ASP 680 N 2.72 0.00 -0.21 -1.22 3.45 -1.97 -2.98 116.42 116.22 1pwu h ASP 680 Ca -0.36 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.08 1pwu h ASP 680 Cb 1.22 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.98 1pwu h ASP 680 CO 0.59 0.08 0.06 0.28 -1.57 0.00 0.00 179.24 178.68 1pwu h SER 681 N 0.00 0.30 -0.99 6.45 0.02 -1.94 0.01 113.55 117.40 1pwu h SER 681 Ca -0.00 -0.21 0.11 0.00 -0.84 0.00 0.00 61.79 60.85 1pwu h SER 681 Cb 0.84 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.22 1pwu h SER 681 CO 0.01 0.43 0.63 -0.33 -1.14 0.00 0.00 176.83 176.43 1pwu h GLU 682 N 0.16 0.98 -0.38 3.45 4.39 -1.93 -0.15 114.58 121.10 1pwu h GLU 682 Ca 0.07 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1pwu h GLU 682 Cb 0.24 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1pwu h GLU 682 CO -0.00 0.65 -0.05 0.78 -1.16 0.00 0.00 179.01 179.22 1pwu h GLY 683 N 1.01 0.77 0.82 -3.84 0.00 -1.40 -1.65 103.07 98.78 1pwu h GLY 683 Ca 0.48 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1pwu h GLY 683 CO -0.24 0.55 0.00 -2.75 0.00 0.00 0.00 176.54 174.10 1pwu h PHE 684 N 0.52 0.01 -0.91 5.60 3.57 -0.24 -2.54 116.94 122.96 1pwu h PHE 684 Ca 0.10 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1pwu h PHE 684 Cb 0.55 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 1pwu h PHE 684 CO 0.04 0.19 0.59 0.82 -2.23 0.00 0.00 178.31 177.72 1pwu h ILE 685 N -0.17 1.16 -0.55 1.41 2.04 -1.06 0.12 117.51 120.46 1pwu h ILE 685 Ca 0.00 -0.40 0.08 0.00 1.00 0.00 0.00 64.86 65.55 1pwu h ILE 685 Cb 0.18 -0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.11 1pwu h ILE 685 CO -0.00 0.21 0.21 -0.74 0.00 0.00 0.00 178.15 177.83 1pwu h HIS 686 N 1.15 0.36 -0.33 1.37 2.76 -1.20 -0.26 115.15 119.00 1pwu h HIS 686 Ca 0.36 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.47 1pwu h HIS 686 Cb -0.02 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 1pwu h HIS 686 CO -0.01 0.11 -0.13 0.00 -1.30 0.00 0.00 177.93 176.59 1pwu h PHE 688 N 0.52 0.21 -0.26 0.00 3.57 0.38 -1.43 116.94 119.92 1pwu h PHE 688 Ca 0.09 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1pwu h PHE 688 Cb 0.54 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 1pwu h PHE 688 CO 0.02 0.26 -0.00 0.78 -2.23 0.00 0.00 178.31 177.14 1pwu h GLY 689 N 0.53 0.25 1.88 2.40 0.00 0.09 0.56 103.07 108.79 1pwu h GLY 689 Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 1pwu h GLY 689 CO 0.01 -0.06 0.06 0.45 0.00 0.00 0.00 176.54 177.01 1pwu h HIS 690 N 0.08 0.15 -0.34 5.60 3.86 -1.20 -1.87 115.15 121.43 1pwu h HIS 690 Ca 0.13 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 1pwu h HIS 690 Cb 0.16 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1pwu h HIS 690 CO -0.21 0.11 0.04 0.00 0.86 0.00 0.00 177.93 178.73 1pwu h ALA 691 N 1.91 0.45 -0.28 2.45 0.00 -0.46 -2.60 119.26 120.73 1pwu h ALA 691 Ca 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1pwu h ALA 691 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1pwu h ALA 691 CO -0.01 0.17 0.16 0.28 0.00 0.00 0.00 179.25 179.85 1pwu h VAL 692 N 0.39 1.03 -0.96 0.00 2.07 -0.47 -1.21 116.25 117.10 1pwu h VAL 692 Ca 0.10 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.62 1pwu h VAL 692 Cb 0.38 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.74 1pwu h VAL 692 CO 0.01 0.06 0.59 -0.78 0.02 0.00 0.00 177.57 177.47 1pwu h ASP 693 N 0.34 0.85 0.02 0.57 -0.00 -1.32 -0.23 116.42 116.65 1pwu h ASP 693 Ca 0.11 0.05 -0.00 0.00 -0.00 0.00 0.00 57.03 57.19 1pwu h ASP 693 Cb -0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 39.21 1pwu h ASP 693 CO -0.05 0.46 -0.01 -0.78 -0.00 0.00 0.00 179.24 178.86 1pwu h ASP 694 N 0.93 -0.02 -0.59 2.28 1.82 -0.98 -1.59 116.42 118.27 1pwu h ASP 694 Ca 0.47 -0.31 -0.10 0.00 -0.39 0.00 0.00 57.03 56.70 1pwu h ASP 694 Cb 0.46 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.46 1pwu h ASP 694 CO -0.26 0.29 -0.03 0.22 -1.61 0.00 0.00 179.24 177.85 1pwu h TYR 695 N -0.35 1.17 -0.34 0.28 3.20 -0.85 -1.69 116.97 118.39 1pwu h TYR 695 Ca -0.00 -0.21 -0.09 0.00 3.14 0.00 0.00 58.73 61.56 1pwu h TYR 695 Cb 0.33 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1pwu h TYR 695 CO 0.03 1.04 -0.15 0.00 -1.64 0.00 0.00 178.16 177.44 1pwu h ALA 696 N 0.98 0.48 0.00 1.82 0.00 -1.09 -1.81 119.26 119.64 1pwu h ALA 696 Ca 0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1pwu h ALA 696 Cb 0.59 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1pwu h ALA 696 CO 0.04 0.38 -0.10 0.78 0.00 0.00 0.00 179.25 180.34 1pwu h GLY 697 N 0.48 0.00 1.60 0.00 0.00 -1.21 -2.63 103.07 101.31 1pwu h GLY 697 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.16 1pwu h GLY 697 CO 0.05 0.00 -1.28 -1.82 0.00 0.00 0.00 176.54 173.49 1pwu h TYR 698 N 0.00 0.10 0.00 5.60 5.03 -1.06 -3.26 116.97 123.38 1pwu h TYR 698 Ca -0.00 -0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.23 1pwu h TYR 698 Cb 0.48 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.76 1pwu h TYR 698 CO 0.00 1.08 0.00 1.28 -1.32 0.00 0.00 178.16 179.20 1pwu n LEU 699 N -3.30 0.47 -0.04 2.82 4.77 -0.70 -2.44 117.00 118.57 1pwu n LEU 699 Ca -0.07 0.64 -0.12 0.00 -0.03 0.00 0.00 56.01 56.43 1pwu n LEU 699 Cb 0.99 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 41.40 1pwu n LEU 699 CO 0.47 -0.58 0.70 -0.07 -1.33 0.00 0.00 177.39 176.58 1pwu h LEU 700 N 0.00 0.25 -6.08 2.23 3.38 -1.59 -3.42 115.31 110.09 1pwu h LEU 700 Ca 0.00 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 1pwu h LEU 700 Cb 0.24 -0.07 -0.22 0.00 0.09 0.00 0.00 40.66 40.70 1pwu h LEU 700 CO 0.00 0.56 -0.50 1.51 0.09 0.00 0.00 178.44 180.11 1pwu s ASP 701 N -5.84 -0.96 0.57 -0.43 -4.77 -1.13 -5.02 116.67 99.09 1pwu s ASP 701 Ca -0.14 -0.87 0.44 0.00 -3.30 0.00 0.00 52.55 48.67 1pwu s ASP 701 Cb 0.05 1.67 1.57 0.00 -1.09 0.00 0.00 42.92 45.12 1pwu s ASP 701 CO 0.72 -0.20 1.57 0.11 0.70 0.00 0.00 175.17 178.07 1pwu h LYS 702 N 7.10 0.00 0.00 2.11 1.79 -1.73 0.34 116.57 126.18 1pwu h LYS 702 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1pwu h LYS 702 Cb 1.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1pwu h LYS 702 CO 0.13 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.59 1pwu n ASN 703 N -3.84 0.19 -3.78 0.86 3.02 -1.26 -4.64 115.26 105.80 1pwu n ASN 703 Ca 0.37 0.55 -0.13 0.00 -0.03 0.00 0.00 54.58 55.35 1pwu n ASN 703 Cb 1.80 -0.59 -0.13 0.00 -0.61 0.00 0.00 39.78 40.24 1pwu n ASN 703 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1pwu s GLN 704 N -3.11 0.15 -0.73 3.52 0.74 0.12 -5.12 119.66 115.24 1pwu s GLN 704 Ca 0.05 0.31 -0.11 0.00 0.05 0.00 0.00 55.36 55.66 1pwu s GLN 704 Cb 0.08 -0.03 0.19 0.00 1.10 0.00 0.00 33.01 34.35 1pwu s GLN 704 CO 0.26 -0.09 0.63 -1.12 -0.55 0.00 0.00 175.29 174.42 1pwu s SER 705 N 0.62 6.26 0.26 6.67 0.01 -1.26 -4.61 113.70 121.65 1pwu s SER 705 Ca -0.04 -2.60 0.08 0.00 1.31 0.00 0.00 55.95 54.70 1pwu s SER 705 Cb -0.06 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 64.01 1pwu s SER 705 CO -0.03 -0.56 -0.11 1.51 0.41 0.00 0.00 173.24 174.46 1pwu s ASP 706 N 1.96 2.89 0.05 2.44 -4.77 -1.26 -5.05 116.67 112.93 1pwu s ASP 706 Ca 0.15 -1.10 -0.19 0.00 -3.30 0.00 0.00 52.55 48.11 1pwu s ASP 706 Cb -0.16 -0.19 -0.06 0.00 -1.09 0.00 0.00 42.92 41.42 1pwu s ASP 706 CO -0.06 -0.21 0.54 -0.76 0.70 0.00 0.00 175.17 175.38 1pwu s LEU 707 N -3.42 4.50 0.56 2.11 1.43 -1.26 -3.88 118.68 118.72 1pwu s LEU 707 Ca 0.27 1.19 0.37 0.00 -1.03 0.00 0.00 54.13 54.94 1pwu s LEU 707 Cb 0.01 -2.84 2.02 0.00 0.03 0.00 0.00 46.19 45.40 1pwu s LEU 707 CO 0.11 0.26 2.15 1.62 0.23 0.00 0.00 176.35 180.72 1pwu h VAL 708 N 3.64 0.00 -0.00 -1.59 3.04 -1.85 0.22 116.25 119.71 1pwu h VAL 708 Ca -0.49 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1pwu h VAL 708 Cb 1.21 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 1pwu h VAL 708 CO 0.64 0.00 -0.01 0.35 -1.01 0.00 0.00 177.57 177.54 1pwu n THR 709 N -2.83 0.00 1.02 3.17 -2.24 -1.26 -2.82 114.28 109.32 1pwu n THR 709 Ca -0.02 -0.05 0.11 0.00 -2.27 0.00 0.00 64.05 61.82 1pwu n THR 709 Cb 0.07 -0.28 0.04 0.00 -2.10 0.00 0.00 70.33 68.06 1pwu n THR 709 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1pwu n ASN 710 N -0.82 0.97 -4.75 3.42 3.02 0.76 -4.51 115.26 113.36 1pwu n ASN 710 Ca 0.21 -0.83 -0.41 0.00 -0.03 0.00 0.00 54.58 53.52 1pwu n ASN 710 Cb 0.18 0.66 -0.02 0.00 -0.61 0.00 0.00 39.78 40.00 1pwu n ASN 710 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1pwu s SER 711 N -2.91 6.45 0.31 6.41 1.04 -1.13 -4.82 113.70 119.06 1pwu s SER 711 Ca 0.11 2.88 0.06 0.00 0.48 0.00 0.00 55.95 59.48 1pwu s SER 711 Cb 0.17 -2.63 0.71 0.00 0.10 0.00 0.00 66.02 64.37 1pwu s SER 711 CO 0.76 -0.86 1.81 0.11 0.98 0.00 0.00 173.24 176.05 1pwu h LYS 712 N 4.85 0.78 -0.62 4.02 6.56 -1.91 0.18 116.57 130.42 1pwu h LYS 712 Ca -0.47 -0.05 0.10 0.00 -1.06 0.00 0.00 60.65 59.17 1pwu h LYS 712 Cb 1.22 -0.18 -0.07 0.00 -0.57 0.00 0.00 32.23 32.63 1pwu h LYS 712 CO 0.78 0.52 0.24 -0.22 -2.06 0.00 0.00 179.45 178.72 1pwu h LYS 713 N 0.81 0.42 -0.05 3.15 3.64 -1.95 -2.31 116.57 120.27 1pwu h LYS 713 Ca 0.53 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.68 1pwu h LYS 713 Cb 0.77 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1pwu h LYS 713 CO -0.31 0.28 -0.78 0.35 -2.27 0.00 0.00 179.45 176.71 1pwu h PHE 714 N 0.43 0.89 -1.04 1.91 3.57 -1.34 -2.85 116.94 118.51 1pwu h PHE 714 Ca 0.32 -0.45 0.26 0.00 3.53 0.00 0.00 57.97 61.63 1pwu h PHE 714 Cb 0.39 -0.12 -0.09 0.00 2.79 0.00 0.00 35.95 38.92 1pwu h PHE 714 CO -0.16 1.27 0.67 0.82 -2.23 0.00 0.00 178.31 178.67 1pwu h ILE 715 N 0.26 0.53 -0.03 1.41 2.04 -0.67 0.36 117.51 121.41 1pwu h ILE 715 Ca -0.08 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 1pwu h ILE 715 Cb 1.44 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1pwu h ILE 715 CO 0.16 0.07 -0.24 0.44 0.00 0.00 0.00 178.15 178.58 1pwu h ASP 716 N 0.40 0.26 -0.67 1.72 3.45 -1.42 -1.09 116.42 119.06 1pwu h ASP 716 Ca 0.59 -0.70 0.14 0.00 0.43 0.00 0.00 57.03 57.50 1pwu h ASP 716 Cb 1.50 -0.08 -0.11 0.00 -0.56 0.00 0.00 39.33 40.08 1pwu h ASP 716 CO -0.30 0.92 0.09 0.40 -1.57 0.00 0.00 179.24 178.78 1pwu h ILE 717 N -0.38 0.50 0.09 0.35 1.08 -0.37 -1.47 117.51 117.32 1pwu h ILE 717 Ca -0.02 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1pwu h ILE 717 Cb 0.93 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1pwu h ILE 717 CO 0.05 0.04 -0.04 0.15 -0.69 0.00 0.00 178.15 177.65 1pwu h PHE 718 N 0.19 -0.12 0.00 1.37 -0.00 -0.42 0.31 116.94 118.28 1pwu h PHE 718 Ca 0.37 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.33 1pwu h PHE 718 Cb 0.61 0.04 0.00 0.00 -0.00 0.00 0.00 35.95 36.60 1pwu h PHE 718 CO -0.31 0.02 0.22 0.87 -0.00 0.00 0.00 178.31 179.10 1pwu h LYS 719 N -0.23 0.00 0.00 1.11 1.57 -0.22 0.42 116.57 119.23 1pwu h LYS 719 Ca -0.01 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.41 1pwu h LYS 719 Cb 0.19 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 1pwu h LYS 719 CO 0.02 0.00 -2.29 -1.91 -0.57 0.00 0.00 179.45 174.70 1pwu n GLU 720 N -2.67 0.54 0.00 3.15 2.13 -0.68 -4.72 120.64 118.38 1pwu n GLU 720 Ca -0.02 0.16 0.07 0.00 0.66 0.00 0.00 57.16 58.03 1pwu n GLU 720 Cb 0.26 -1.41 0.02 0.00 0.27 0.00 0.00 31.44 30.58 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 -3.45 1.55 -0.27 5.31 1.02 0.04 -4.77 120.64 120.07 1pwu n GLU 721 Ca -0.42 -0.98 0.17 0.00 -0.02 0.00 0.00 57.16 55.91 1pwu n GLU 721 Cb 0.89 -1.24 0.33 0.00 -0.02 0.00 0.00 31.44 31.39 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 1.00 -0.93 1.40 0.62 0.00 0.15 0.16 105.19 107.58 1pwu n GLY 722 Ca 0.07 0.75 0.08 0.00 0.00 0.00 0.00 46.02 46.91 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 -5.05 4.12 0.03 1.61 7.64 -1.26 -4.06 113.62 116.65 1pwu n SER 723 Ca 0.23 -2.41 0.12 0.00 1.01 0.00 0.00 58.87 57.83 1pwu n SER 723 Cb 0.78 -0.54 0.27 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.87 0.54 0.00 6.43 4.13 0.12 -4.89 115.26 122.46 1pwu n ASN 724 Ca 0.22 0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.51 1pwu n ASN 724 Cb 0.79 0.07 0.00 0.00 -1.54 0.00 0.00 39.78 39.10 1pwu n ASN 724 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1pwu n LEU 725 N -1.80 0.00 -4.87 3.41 4.77 -1.26 -4.87 117.00 112.38 1pwu n LEU 725 Ca 0.05 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.72 1pwu n LEU 725 Cb 0.39 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 1pwu n LEU 725 CO 0.34 0.00 0.59 0.42 -1.33 0.00 0.00 177.39 177.41 1pwu s THR 726 N 2.99 4.74 0.10 -5.08 -4.23 -1.26 -4.99 115.64 107.90 1pwu s THR 726 Ca 0.00 0.74 -0.24 0.00 -1.18 0.00 0.00 61.69 61.01 1pwu s THR 726 Cb 0.00 -3.81 -0.12 0.00 1.34 0.00 0.00 72.50 69.91 1pwu s THR 726 CO 0.00 -0.86 1.71 -1.28 -0.54 0.00 0.00 174.62 173.65 1pwu h SER 727 N 0.38 -0.20 -0.22 3.99 0.87 -1.96 -2.21 113.55 114.19 1pwu h SER 727 Ca -0.46 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1pwu h SER 727 Cb 1.19 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 1pwu h SER 727 CO 0.62 -0.11 0.15 0.22 -0.53 0.00 0.00 176.83 177.18 1pwu h TYR 728 N -0.15 0.28 -0.16 2.24 3.20 -1.94 -1.75 116.97 118.69 1pwu h TYR 728 Ca 0.02 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.94 1pwu h TYR 728 Cb 0.16 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1pwu h TYR 728 CO -0.12 0.17 0.16 0.78 -1.64 0.00 0.00 178.16 177.51 1pwu h GLY 729 N 0.30 0.00 1.00 1.82 0.00 -1.67 -1.80 103.07 102.72 1pwu h GLY 729 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1pwu h GLY 729 CO -0.02 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.06 1pwu n ARG 730 N -3.96 0.63 -0.14 4.80 1.74 -0.66 -2.43 116.66 116.63 1pwu n ARG 730 Ca 0.01 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.00 1pwu n ARG 730 Cb 0.28 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1pwu n ARG 730 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1pwu h THR 731 N 0.00 1.21 -2.16 0.55 2.02 -1.51 -3.48 112.91 109.54 1pwu h THR 731 Ca 0.00 -0.66 0.34 0.00 0.77 0.00 0.00 66.41 66.86 1pwu h THR 731 Cb 0.00 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 1pwu h THR 731 CO 0.00 0.24 0.89 -0.46 0.37 0.00 0.00 175.52 176.56 1pwu n ASN 732 N -4.61 -1.21 -0.06 4.18 0.23 -1.24 -5.00 115.26 107.55 1pwu n ASN 732 Ca 0.00 -1.27 -0.08 0.00 -0.53 0.00 0.00 54.58 52.71 1pwu n ASN 732 Cb 0.16 1.88 -0.01 0.00 -2.08 0.00 0.00 39.78 39.72 1pwu n ASN 732 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1pwu h GLU 733 N 0.00 0.10 -0.00 -3.83 9.09 -1.91 0.56 114.58 118.59 1pwu h GLU 733 Ca -0.21 -0.01 0.02 0.00 0.05 0.00 0.00 59.36 59.21 1pwu h GLU 733 Cb 1.17 -0.02 -0.03 0.00 -1.65 0.00 0.00 28.75 28.22 1pwu h GLU 733 CO 0.31 0.06 -0.14 0.00 0.05 0.00 0.00 179.01 179.29 1pwu h ALA 734 N 1.20 -0.16 -0.63 1.06 0.00 -1.94 0.68 119.26 119.47 1pwu h ALA 734 Ca 0.12 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1pwu h ALA 734 Cb 0.14 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1pwu h ALA 734 CO -0.18 -0.63 0.03 0.93 0.00 0.00 0.00 179.25 179.40 1pwu h GLU 735 N -0.23 1.09 -0.34 0.00 4.39 -1.79 -1.65 114.58 116.05 1pwu h GLU 735 Ca 0.05 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1pwu h GLU 735 Cb 0.29 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1pwu h GLU 735 CO -0.14 1.04 0.22 0.35 -1.16 0.00 0.00 179.01 179.33 1pwu h PHE 736 N 1.00 0.42 0.37 4.33 3.57 0.47 0.17 116.94 127.28 1pwu h PHE 736 Ca 0.18 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1pwu h PHE 736 Cb 0.53 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1pwu h PHE 736 CO 0.04 0.26 -0.26 0.35 -2.23 0.00 0.00 178.31 176.47 1pwu h PHE 737 N 0.46 -0.70 -0.57 0.41 3.57 -0.68 0.13 116.94 119.56 1pwu h PHE 737 Ca 0.13 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.66 1pwu h PHE 737 Cb -0.05 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1pwu h PHE 737 CO -0.06 -0.40 0.33 0.00 -2.23 0.00 0.00 178.31 175.96 1pwu h ALA 738 N -0.06 0.74 -0.10 2.41 0.00 -1.17 0.45 119.26 121.53 1pwu h ALA 738 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1pwu h ALA 738 Cb 0.53 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pwu h ALA 738 CO 0.01 0.04 0.04 1.49 0.00 0.00 0.00 179.25 180.83 1pwu h GLU 739 N 0.65 0.14 -0.38 0.00 4.57 -0.79 0.03 114.58 118.80 1pwu h GLU 739 Ca 0.24 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.44 1pwu h GLU 739 Cb 0.06 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 1pwu h GLU 739 CO -0.12 0.25 0.12 0.00 -1.18 0.00 0.00 179.01 178.08 1pwu h ALA 740 N 0.88 0.44 -0.65 2.92 0.00 -0.38 -0.99 119.26 121.47 1pwu h ALA 740 Ca 0.03 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1pwu h ALA 740 Cb 0.16 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1pwu h ALA 740 CO -0.00 -0.28 0.33 0.35 0.00 0.00 0.00 179.25 179.64 1pwu h PHE 741 N 0.26 0.59 0.14 0.00 3.57 -0.65 0.79 116.94 121.63 1pwu h PHE 741 Ca 0.18 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1pwu h PHE 741 Cb 0.18 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1pwu h PHE 741 CO -0.16 0.24 -0.07 -0.09 -2.23 0.00 0.00 178.31 176.00 1pwu h ARG 742 N 0.58 -0.18 -0.70 1.11 1.12 -0.11 -2.02 114.38 114.18 1pwu h ARG 742 Ca 0.31 0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 59.18 1pwu h ARG 742 Cb 0.28 0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 30.25 1pwu h ARG 742 CO -0.23 -0.07 0.39 -0.07 -3.11 0.00 0.00 179.97 176.88 1pwu h LEU 743 N -0.25 0.85 -1.06 3.80 3.38 -0.87 0.75 115.31 121.92 1pwu h LEU 743 Ca -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pwu h LEU 743 Cb 0.19 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1pwu h LEU 743 CO 0.03 0.68 0.00 0.24 0.09 0.00 0.00 178.44 179.48 1pwu h MET 744 N 0.97 0.00 0.00 1.13 2.86 -0.50 -2.68 114.93 116.71 1pwu h MET 744 Ca 0.25 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 1pwu h MET 744 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1pwu h MET 744 CO -0.04 0.00 -0.27 0.72 1.06 0.00 0.00 176.91 178.38 1pwu n HIS 745 N -2.33 0.00 -1.55 -0.22 8.25 -0.04 -4.82 115.22 114.51 1pwu n HIS 745 Ca 0.01 -0.79 -0.33 0.00 -0.26 0.00 0.00 57.72 56.36 1pwu n HIS 745 Cb 0.17 -0.14 0.07 0.00 1.12 0.00 0.00 29.99 31.21 1pwu n HIS 745 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1pwu s SER 746 N -2.40 4.76 0.26 0.41 0.15 0.05 -4.82 113.70 112.12 1pwu s SER 746 Ca 0.25 2.00 0.01 0.00 0.70 0.00 0.00 55.95 58.91 1pwu s SER 746 Cb 0.23 -2.55 0.35 0.00 -1.71 0.00 0.00 66.02 62.35 1pwu s SER 746 CO -0.01 -1.87 1.68 0.74 1.20 0.00 0.00 173.24 174.99 1pwu h THR 747 N -0.39 1.28 -2.90 6.45 2.02 -1.91 -3.40 112.91 114.05 1pwu h THR 747 Ca -0.46 -1.36 -0.57 0.00 0.77 0.00 0.00 66.41 64.79 1pwu h THR 747 Cb 1.25 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 69.04 1pwu h THR 747 CO 0.52 0.43 0.94 -0.62 0.37 0.00 0.00 175.52 177.16 1pwu s ASP 748 N -6.82 6.86 0.34 4.18 2.15 -1.26 -4.91 116.67 117.21 1pwu s ASP 748 Ca -0.07 1.68 0.17 0.00 0.43 0.00 0.00 52.55 54.76 1pwu s ASP 748 Cb 0.13 -2.54 0.55 0.00 -0.30 0.00 0.00 42.92 40.76 1pwu s ASP 748 CO 0.80 -0.84 1.67 0.45 -0.17 0.00 0.00 175.17 177.08 1pwu h HIS 749 N 8.57 0.00 -0.58 -5.34 3.86 -1.96 -3.07 115.15 116.64 1pwu h HIS 749 Ca -0.28 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 58.97 1pwu h HIS 749 Cb 1.11 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.55 1pwu h HIS 749 CO 0.82 0.44 0.38 0.00 0.86 0.00 0.00 177.93 180.43 1pwu h ALA 750 N 1.56 1.74 -0.19 2.45 0.00 -1.95 -1.45 119.26 121.42 1pwu h ALA 750 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1pwu h ALA 750 Cb 1.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1pwu h ALA 750 CO 0.06 0.19 -0.17 0.93 0.00 0.00 0.00 179.25 180.25 1pwu h GLU 751 N 0.64 0.31 -0.13 0.00 4.39 -1.83 -2.22 114.58 115.73 1pwu h GLU 751 Ca 0.24 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 1pwu h GLU 751 Cb 0.14 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1pwu h GLU 751 CO -0.06 0.49 -0.01 0.00 -1.16 0.00 0.00 179.01 178.26 1pwu h ARG 752 N 0.29 0.24 -0.91 2.33 3.08 -1.29 -2.99 114.38 115.13 1pwu h ARG 752 Ca 0.05 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.09 1pwu h ARG 752 Cb 0.48 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.45 1pwu h ARG 752 CO 0.03 0.49 0.59 -0.07 -1.07 0.00 0.00 179.97 179.95 1pwu h LEU 753 N -0.04 0.91 -0.60 3.04 3.38 -1.26 -2.25 115.31 118.49 1pwu h LEU 753 Ca 0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1pwu h LEU 753 Cb 0.39 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1pwu h LEU 753 CO 0.01 0.58 0.31 0.11 0.09 0.00 0.00 178.44 179.54 1pwu h LYS 754 N 1.02 0.85 -0.65 1.13 1.57 -1.29 -1.88 116.57 117.33 1pwu h LYS 754 Ca 0.40 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1pwu h LYS 754 Cb 0.22 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1pwu h LYS 754 CO -0.15 0.67 0.28 0.28 -0.57 0.00 0.00 179.45 179.96 1pwu h VAL 755 N 0.82 1.23 -0.45 0.50 2.07 -1.28 0.18 116.25 119.33 1pwu h VAL 755 Ca 0.21 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1pwu h VAL 755 Cb 0.08 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1pwu h VAL 755 CO -0.03 0.28 0.23 -0.61 0.02 0.00 0.00 177.57 177.47 1pwu h GLN 756 N 0.92 0.64 0.00 1.57 4.15 -1.16 0.37 115.11 121.60 1pwu h GLN 756 Ca 0.22 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1pwu h GLN 756 Cb 0.18 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1pwu h GLN 756 CO -0.02 0.53 -0.56 0.36 -1.93 0.00 0.00 178.83 177.21 1pwu n LYS 757 N -4.67 0.16 -0.02 1.69 2.85 -0.73 -3.37 118.16 114.07 1pwu n LYS 757 Ca 0.01 0.04 0.06 0.00 -1.05 0.00 0.00 58.31 57.37 1pwu n LYS 757 Cb 0.10 -1.60 -0.12 0.00 -0.65 0.00 0.00 35.03 32.76 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 -1.82 1.33 -3.05 -5.58 3.02 0.64 -4.76 115.26 105.03 1pwu n ASN 758 Ca 0.04 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.42 1pwu n ASN 758 Cb 0.39 1.60 -0.02 0.00 -0.61 0.00 0.00 39.78 41.15 1pwu n ASN 758 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pwu n ALA 759 N -2.13 1.21 -0.22 5.41 0.00 0.13 -4.87 120.51 120.04 1pwu n ALA 759 Ca -0.06 -2.80 -0.00 0.00 0.00 0.00 0.00 53.44 50.58 1pwu n ALA 759 Cb 0.50 -0.98 0.11 0.00 0.00 0.00 0.00 19.45 19.08 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 3.54 0.55 -0.26 0.00 0.11 -1.65 -0.64 132.00 133.65 1pwu h PRO 760 Ca 0.02 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1pwu h PRO 760 Cb 0.96 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1pwu h PRO 760 CO 0.41 0.36 0.15 0.87 -0.21 0.00 0.00 178.00 179.58 1pwu h LYS 761 N 0.57 0.36 0.65 1.05 1.79 -1.92 -2.15 116.57 116.91 1pwu h LYS 761 Ca 0.31 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.72 1pwu h LYS 761 Cb 0.30 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1pwu h LYS 761 CO -0.24 0.30 -0.31 1.15 -1.08 0.00 0.00 179.45 179.26 1pwu h THR 762 N 0.32 0.00 -0.76 -0.16 2.02 -1.85 -0.77 112.91 111.71 1pwu h THR 762 Ca 0.09 -0.14 0.13 0.00 0.77 0.00 0.00 66.41 67.27 1pwu h THR 762 Cb 0.04 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.32 1pwu h THR 762 CO -0.02 0.00 -0.25 0.33 0.37 0.00 0.00 175.52 175.96 1pwu n PHE 763 N -4.73 0.14 0.08 3.16 7.35 -0.27 0.36 117.46 123.55 1pwu n PHE 763 Ca -0.11 0.93 -0.13 0.00 -0.76 0.00 0.00 57.45 57.38 1pwu n PHE 763 Cb 0.35 -0.86 -0.08 0.00 0.35 0.00 0.00 39.48 39.24 1pwu n PHE 763 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 1pwu h GLN 764 N 0.00 -0.17 -0.51 -4.13 1.08 -1.31 -1.86 115.11 108.21 1pwu h GLN 764 Ca 0.31 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.62 1pwu h GLN 764 Cb 0.50 0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.88 1pwu h GLN 764 CO -0.76 0.06 -0.04 0.35 -0.95 0.00 0.00 178.83 177.49 1pwu h PHE 765 N -0.38 -0.11 0.61 2.96 3.57 0.15 0.29 116.94 124.03 1pwu h PHE 765 Ca -0.02 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1pwu h PHE 765 Cb 0.31 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1pwu h PHE 765 CO -0.01 -0.15 -0.50 0.82 -2.23 0.00 0.00 178.31 176.25 1pwu h ILE 766 N 0.08 0.00 -0.52 1.41 2.04 -0.63 -1.95 117.51 117.93 1pwu h ILE 766 Ca 0.26 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.27 1pwu h ILE 766 Cb 0.39 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1pwu h ILE 766 CO -0.46 0.00 0.39 0.78 0.00 0.00 0.00 178.15 178.86 1pwu h ASN 767 N -1.08 0.00 -0.62 1.72 2.35 -0.78 0.20 115.58 117.38 1pwu h ASN 767 Ca -0.08 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 1pwu h ASN 767 Cb 0.90 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 1pwu h ASN 767 CO 0.01 0.00 0.11 0.44 -1.65 0.00 0.00 177.43 176.34 1pwu h ASP 768 N 0.00 0.97 -0.19 5.81 3.32 0.22 -1.81 116.42 124.73 1pwu h ASP 768 Ca 0.25 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1pwu h ASP 768 Cb 1.02 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1pwu h ASP 768 CO -0.00 0.98 -0.07 1.56 -1.72 0.00 0.00 179.24 179.99 1pwu h GLN 769 N 0.92 0.39 -0.41 3.56 1.08 0.05 0.15 115.11 120.86 1pwu h GLN 769 Ca 0.19 -0.16 0.07 0.00 -1.45 0.00 0.00 58.65 57.30 1pwu h GLN 769 Cb 0.41 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.76 1pwu h GLN 769 CO 0.01 0.66 0.06 0.82 -0.95 0.00 0.00 178.83 179.43 1pwu h ILE 770 N 0.09 0.76 -0.16 2.54 2.04 -1.03 0.12 117.51 121.87 1pwu h ILE 770 Ca 0.05 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.74 1pwu h ILE 770 Cb 0.53 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1pwu h ILE 770 CO 0.02 0.03 -0.38 0.11 0.00 0.00 0.00 178.15 177.94 1pwu h LYS 771 N 0.18 0.35 -0.76 2.37 1.57 -1.27 0.56 116.57 119.56 1pwu h LYS 771 Ca 0.20 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1pwu h LYS 771 Cb 0.26 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1pwu h LYS 771 CO -0.28 0.68 0.38 0.35 -0.57 0.00 0.00 179.45 180.00 1pwu h PHE 772 N 0.30 1.09 0.05 -1.35 3.57 0.21 0.15 116.94 120.96 1pwu h PHE 772 Ca 0.03 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1pwu h PHE 772 Cb 0.80 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1pwu h PHE 772 CO 0.02 0.79 -0.03 0.82 -2.23 0.00 0.00 178.31 177.69 1pwu h ILE 773 N 1.07 1.29 -0.93 1.41 2.04 -0.51 -3.30 117.51 118.58 1pwu h ILE 773 Ca 0.26 -1.48 0.09 0.00 1.00 0.00 0.00 64.86 64.73 1pwu h ILE 773 Cb 0.10 2.21 -0.07 0.00 -0.74 0.00 0.00 36.82 38.32 1pwu h ILE 773 CO -0.04 0.35 0.60 0.40 0.00 0.00 0.00 178.15 179.47 1pwu h ILE 774 N -0.77 1.01 -0.50 -0.67 2.04 -0.86 -2.18 117.51 115.57 1pwu h ILE 774 Ca -0.01 -0.34 -0.33 0.00 1.00 0.00 0.00 64.86 65.19 1pwu h ILE 774 Cb 0.63 -0.07 -0.15 0.00 -0.74 0.00 0.00 36.82 36.50 1pwu h ILE 774 CO 0.01 0.18 0.42 0.59 0.00 0.00 0.00 178.15 179.35 1pwu n ASN 775 N -4.52 5.96 0.00 1.72 5.03 0.04 -5.05 115.26 118.43 1pwu n ASN 775 Ca 0.15 -3.05 0.00 0.00 0.87 0.00 0.00 54.58 52.55 1pwu n ASN 775 Cb 0.26 -0.98 0.00 0.00 -1.02 0.00 0.00 39.78 38.04 1pwu n ASN 775 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23