#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1au9 s GLN 2 N 0.00 3.35 0.10 0.00 0.74 -1.19 -3.64 119.66 119.02 1au9 s GLN 2 Ca 0.00 -0.22 0.06 0.00 0.05 0.00 0.00 55.36 55.25 1au9 s GLN 2 Cb 0.00 -3.10 -0.04 0.00 1.10 0.00 0.00 33.01 30.97 1au9 s GLN 2 CO 0.00 0.74 -0.04 -1.12 -0.55 0.00 0.00 175.29 174.32 1au9 s SER 3 N -1.22 4.76 -0.31 6.67 0.01 0.49 -4.97 113.70 119.12 1au9 s SER 3 Ca 0.17 -0.27 -0.08 0.00 1.31 0.00 0.00 55.95 57.08 1au9 s SER 3 Cb -0.12 -1.04 0.01 0.00 0.21 0.00 0.00 66.02 65.08 1au9 s SER 3 CO 0.07 0.17 0.11 -0.69 0.41 0.00 0.00 173.24 173.31 1au9 s VAL 4 N -1.28 4.15 0.26 3.43 1.01 -1.26 -3.16 120.40 123.56 1au9 s VAL 4 Ca 0.24 -0.67 -0.31 0.00 0.00 0.00 0.00 61.98 61.24 1au9 s VAL 4 Cb -0.11 -3.17 -0.13 0.00 0.00 0.00 0.00 36.38 32.97 1au9 s VAL 4 CO 0.16 0.03 1.43 -2.65 0.00 0.00 0.00 175.10 174.07 1au9 n PRO 5 N 4.90 2.17 -0.32 2.72 -0.02 -1.26 -4.86 135.00 138.34 1au9 n PRO 5 Ca -0.14 0.77 0.19 0.00 -2.02 0.00 0.00 63.50 62.30 1au9 n PRO 5 Cb 0.48 -2.44 0.38 0.00 -0.02 0.00 0.00 33.50 31.89 1au9 n PRO 5 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 1au9 h TYR 6 N 4.10 0.46 -0.85 6.00 -0.00 -1.95 -1.93 116.97 122.80 1au9 h TYR 6 Ca -0.46 0.05 0.02 0.00 0.00 0.00 0.00 58.73 58.34 1au9 h TYR 6 Cb 1.27 -0.05 -0.04 0.00 0.00 0.00 0.00 36.73 37.90 1au9 h TYR 6 CO 0.56 -0.30 0.56 0.78 -0.00 0.00 0.00 178.16 179.77 1au9 h GLY 7 N 0.15 1.20 0.97 0.10 0.00 -1.96 0.35 103.07 103.89 1au9 h GLY 7 Ca 0.65 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 1au9 h GLY 7 CO -0.72 0.41 0.21 -2.08 0.00 0.00 0.00 176.54 174.36 1au9 h VAL 8 N 1.12 1.13 -0.33 4.60 2.07 -1.71 -2.55 116.25 120.59 1au9 h VAL 8 Ca 0.32 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 1au9 h VAL 8 Cb -0.08 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1au9 h VAL 8 CO -0.08 0.13 -0.38 0.28 0.02 0.00 0.00 177.57 177.55 1au9 h SER 9 N 0.47 0.82 -0.30 0.57 0.02 -1.51 -2.85 113.55 110.76 1au9 h SER 9 Ca 0.13 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 1au9 h SER 9 Cb 0.02 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1au9 h SER 9 CO -0.02 1.11 0.09 -0.61 -1.14 0.00 0.00 176.83 176.25 1au9 h GLN 10 N 0.64 0.56 -0.13 3.45 4.15 -0.75 -2.03 115.11 120.99 1au9 h GLN 10 Ca 0.06 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1au9 h GLN 10 Cb 0.93 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1au9 h GLN 10 CO 0.08 0.51 0.00 0.44 -1.93 0.00 0.00 178.83 177.94 1au9 n ILE 11 N -4.34 0.16 -2.08 2.39 -5.35 -0.98 -4.94 119.36 104.23 1au9 n ILE 11 Ca 0.02 -0.34 -0.10 0.00 -0.27 0.00 0.00 62.75 62.06 1au9 n ILE 11 Cb 0.19 0.45 -0.01 0.00 -1.74 0.00 0.00 39.64 38.53 1au9 n ILE 11 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1au9 n LYS 12 N 0.35 -0.78 -0.30 6.28 5.02 -0.76 -0.60 118.16 127.37 1au9 n LYS 12 Ca 0.17 0.52 -0.03 0.00 -2.02 0.00 0.00 58.31 56.95 1au9 n LYS 12 Cb 0.35 -4.55 0.09 0.00 -0.02 0.00 0.00 35.03 30.90 1au9 n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1au9 h ALA 13 N 0.42 1.07 -0.09 7.82 0.00 -1.74 -2.82 119.26 123.91 1au9 h ALA 13 Ca -0.23 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1au9 h ALA 13 Cb 1.11 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1au9 h ALA 13 CO 0.28 0.42 0.11 -1.35 0.00 0.00 0.00 179.25 178.71 1au9 h PRO 14 N 1.09 0.00 -0.64 0.00 0.11 -1.90 -0.45 132.00 130.20 1au9 h PRO 14 Ca 0.32 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.39 1au9 h PRO 14 Cb -0.07 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 1au9 h PRO 14 CO -0.09 0.00 0.27 0.00 -0.21 0.00 0.00 178.00 177.98 1au9 h ALA 15 N 1.86 0.84 -0.20 -0.75 0.00 -1.90 -1.65 119.26 117.47 1au9 h ALA 15 Ca 0.04 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1au9 h ALA 15 Cb 0.27 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1au9 h ALA 15 CO -0.00 0.44 -0.58 -0.07 0.00 0.00 0.00 179.25 179.04 1au9 h LEU 16 N 0.90 0.70 -0.82 0.00 3.38 -1.24 -3.10 115.31 115.13 1au9 h LEU 16 Ca 0.22 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1au9 h LEU 16 Cb 0.18 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1au9 h LEU 16 CO -0.02 1.13 0.52 0.45 0.09 0.00 0.00 178.44 180.61 1au9 h HIS 17 N 0.47 0.97 -0.12 1.13 3.86 -1.10 -0.59 115.15 119.78 1au9 h HIS 17 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1au9 h HIS 17 Cb 1.14 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 1au9 h HIS 17 CO 0.05 0.54 0.08 0.77 0.86 0.00 0.00 177.93 180.23 1au9 h SER 18 N 1.00 0.13 1.33 2.45 0.02 -1.24 -1.09 113.55 116.15 1au9 h SER 18 Ca 0.34 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1au9 h SER 18 Cb 0.06 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1au9 h SER 18 CO -0.13 0.10 -0.08 0.00 -1.14 0.00 0.00 176.83 175.58 1au9 n GLN 19 N -4.52 0.23 0.00 3.45 6.02 -0.69 -4.93 117.38 116.94 1au9 n GLN 19 Ca -0.01 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1au9 n GLN 19 Cb 0.08 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 29.60 1au9 n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1au9 n GLY 20 N 1.34 1.07 3.47 1.08 0.00 -0.41 -5.06 105.19 106.67 1au9 n GLY 20 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1au9 n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1au9 s TYR 21 N -2.00 3.24 -0.00 1.61 2.02 -0.31 -4.90 117.35 117.00 1au9 s TYR 21 Ca 0.00 -0.54 0.01 0.00 -0.37 0.00 0.00 57.07 56.17 1au9 s TYR 21 Cb 0.00 -2.57 0.01 0.00 -0.40 0.00 0.00 41.96 39.00 1au9 s TYR 21 CO 0.00 -0.56 0.70 0.00 -1.57 0.00 0.00 175.55 174.12 1au9 n GLY 23 N -0.18 0.78 3.71 0.00 0.00 -1.26 -1.20 105.19 107.04 1au9 n GLY 23 Ca 0.01 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1au9 n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1au9 n SER 24 N 0.40 3.03 -0.03 1.61 7.64 -1.25 -1.78 113.62 123.24 1au9 n SER 24 Ca 0.00 1.19 -0.00 0.00 1.01 0.00 0.00 58.87 61.06 1au9 n SER 24 Cb 0.00 -1.50 -0.00 0.00 -1.01 0.00 0.00 64.21 61.70 1au9 n SER 24 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1au9 n ASN 25 N 1.28 -4.78 -4.72 6.43 4.13 -1.26 -4.80 115.26 111.54 1au9 n ASN 25 Ca 0.07 0.01 -0.36 0.00 1.68 0.00 0.00 54.58 55.98 1au9 n ASN 25 Cb 0.35 -2.32 -0.08 0.00 -1.54 0.00 0.00 39.78 36.20 1au9 n ASN 25 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1au9 s VAL 26 N -1.44 5.35 -0.34 2.41 1.01 -0.73 -4.93 120.40 121.73 1au9 s VAL 26 Ca 0.00 0.38 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 1au9 s VAL 26 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1au9 s VAL 26 CO 0.00 0.40 0.38 -0.54 0.00 0.00 0.00 175.10 175.34 1au9 s LYS 27 N 0.49 3.60 -0.15 2.72 1.02 -1.26 0.07 119.74 126.22 1au9 s LYS 27 Ca 0.13 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.76 1au9 s LYS 27 Cb -0.12 -3.80 -0.00 0.00 -0.52 0.00 0.00 37.83 33.39 1au9 s LYS 27 CO 0.01 -0.52 -0.16 0.08 -0.92 0.00 0.00 175.35 173.85 1au9 s VAL 28 N 2.06 2.64 -0.27 3.17 1.01 0.30 -0.39 120.40 128.91 1au9 s VAL 28 Ca 0.13 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 1au9 s VAL 28 Cb -0.16 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1au9 s VAL 28 CO 0.12 0.52 0.20 0.00 0.00 0.00 0.00 175.10 175.93 1au9 s ALA 29 N 0.77 3.55 -0.50 5.51 0.00 -0.08 -0.87 121.76 130.14 1au9 s ALA 29 Ca -0.06 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 50.69 1au9 s ALA 29 Cb -0.15 -2.46 0.07 0.00 0.00 0.00 0.00 23.12 20.57 1au9 s ALA 29 CO 0.01 -0.49 0.52 0.08 0.00 0.00 0.00 175.76 175.88 1au9 s VAL 30 N 1.64 5.05 -0.52 0.00 1.01 0.67 -0.49 120.40 127.76 1au9 s VAL 30 Ca 0.08 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 1au9 s VAL 30 Cb -0.15 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.06 1au9 s VAL 30 CO 0.10 -0.73 0.62 -0.63 0.00 0.00 0.00 175.10 174.46 1au9 s ILE 31 N 2.13 4.89 0.00 2.22 1.01 -0.63 -1.75 121.20 129.08 1au9 s ILE 31 Ca 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1au9 s ILE 31 Cb -0.22 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 37.92 1au9 s ILE 31 CO 0.09 -0.86 0.00 -0.67 0.00 0.00 0.00 174.94 173.49 1au9 n ASP 32 N 6.12 1.81 -0.70 3.58 -0.08 -0.31 -4.13 116.55 122.84 1au9 n ASP 32 Ca -0.08 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.24 1au9 n ASP 32 Cb 0.44 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.04 1au9 n ASP 32 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1au9 n SER 33 N 0.00 1.96 0.00 1.67 3.41 -1.26 -0.80 113.62 118.59 1au9 n SER 33 Ca 0.00 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 1au9 n SER 33 Cb 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1au9 n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1au9 n GLY 34 N 0.70 0.78 2.82 5.00 0.00 -1.26 -4.47 105.19 108.77 1au9 n GLY 34 Ca 0.10 -2.12 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 1au9 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1au9 s ILE 35 N -1.28 -0.03 -0.58 -0.61 1.01 -0.95 -3.09 121.20 115.67 1au9 s ILE 35 Ca 0.00 0.13 -0.27 0.00 0.00 0.00 0.00 60.65 60.50 1au9 s ILE 35 Cb 0.00 -0.07 0.00 0.00 0.01 0.00 0.00 42.46 42.41 1au9 s ILE 35 CO 0.00 0.05 1.54 -0.62 0.00 0.00 0.00 174.94 175.91 1au9 s ASP 36 N 0.64 5.90 0.07 3.58 2.15 -1.26 -3.93 116.67 123.82 1au9 s ASP 36 Ca -0.05 0.29 0.20 0.00 0.43 0.00 0.00 52.55 53.42 1au9 s ASP 36 Cb -0.08 -2.54 0.82 0.00 -0.30 0.00 0.00 42.92 40.82 1au9 s ASP 36 CO -0.02 -1.89 1.62 -1.54 -0.17 0.00 0.00 175.17 173.17 1au9 n SER 37 N 10.40 0.19 0.04 -0.34 3.41 -1.16 -2.41 113.62 123.75 1au9 n SER 37 Ca 0.14 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 1au9 n SER 37 Cb 0.50 -0.58 0.46 0.00 -0.26 0.00 0.00 64.21 64.32 1au9 n SER 37 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1au9 n SER 38 N -1.70 0.38 -4.71 4.04 3.41 -1.26 -4.74 113.62 109.05 1au9 n SER 38 Ca 0.04 0.38 -0.42 0.00 -0.26 0.00 0.00 58.87 58.61 1au9 n SER 38 Cb 0.23 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 1au9 n SER 38 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1au9 s HIS 39 N -3.05 2.88 0.49 7.33 2.46 -1.01 -4.88 115.29 119.51 1au9 s HIS 39 Ca 0.12 0.52 0.35 0.00 0.47 0.00 0.00 55.06 56.51 1au9 s HIS 39 Cb 0.16 -3.96 1.85 0.00 -0.13 0.00 0.00 32.58 30.51 1au9 s HIS 39 CO 0.59 -3.62 2.20 -1.00 -2.47 0.00 0.00 174.74 170.44 1au9 h PRO 40 N 7.20 0.00 -0.32 2.88 0.13 -1.92 -2.39 132.00 137.58 1au9 h PRO 40 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1au9 h PRO 40 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1au9 h PRO 40 CO 0.92 0.04 0.00 -3.47 -0.23 0.00 0.00 178.00 175.26 1au9 n ASP 41 N -3.40 2.55 -4.37 1.44 2.03 -1.26 -4.92 116.55 108.62 1au9 n ASP 41 Ca -0.02 -1.88 -0.23 0.00 0.52 0.00 0.00 54.79 53.18 1au9 n ASP 41 Cb 0.16 -0.21 -0.11 0.00 -0.72 0.00 0.00 41.12 40.24 1au9 n ASP 41 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1au9 s LEU 42 N -1.41 2.46 -0.22 -2.67 1.43 -0.90 -0.64 118.68 116.73 1au9 s LEU 42 Ca 0.35 -0.89 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1au9 s LEU 42 Cb 0.19 -0.94 0.06 0.00 0.03 0.00 0.00 46.19 45.54 1au9 s LEU 42 CO 0.27 0.01 0.00 -0.75 0.23 0.00 0.00 176.35 176.11 1au9 s LYS 43 N -2.89 1.07 -0.17 1.70 2.47 -1.26 -4.77 119.74 115.89 1au9 s LYS 43 Ca 0.19 -0.73 -0.16 0.00 -1.56 0.00 0.00 55.97 53.71 1au9 s LYS 43 Cb -0.06 -2.32 -0.04 0.00 -1.46 0.00 0.00 37.83 33.95 1au9 s LYS 43 CO 0.08 -0.65 0.41 0.08 0.16 0.00 0.00 175.35 175.42 1au9 s VAL 44 N 1.63 5.21 -0.07 4.02 1.01 -1.26 -4.25 120.40 126.69 1au9 s VAL 44 Ca -0.02 0.76 0.14 0.00 0.00 0.00 0.00 61.98 62.85 1au9 s VAL 44 Cb -0.18 -3.74 -0.16 0.00 0.00 0.00 0.00 36.38 32.30 1au9 s VAL 44 CO -0.09 0.29 0.89 0.00 0.00 0.00 0.00 175.10 176.19 1au9 h ALA 45 N 7.07 0.66 0.00 5.51 0.00 -0.95 -3.49 119.26 128.07 1au9 h ALA 45 Ca -0.38 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.49 1au9 h ALA 45 Cb 1.17 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1au9 h ALA 45 CO 0.74 1.17 0.00 0.41 0.00 0.00 0.00 179.25 181.56 1au9 n GLY 46 N 1.43 -0.80 0.00 0.00 0.00 -1.22 -5.04 105.19 99.55 1au9 n GLY 46 Ca -0.10 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1au9 n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1au9 n GLY 47 N 0.00 0.33 3.42 -0.02 0.00 -1.26 -1.28 105.19 106.38 1au9 n GLY 47 Ca 0.00 -1.70 -0.15 0.00 0.00 0.00 0.00 46.02 44.17 1au9 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1au9 s ALA 48 N -1.00 -1.45 -0.09 4.61 0.00 -0.34 -4.96 121.76 118.53 1au9 s ALA 48 Ca 0.00 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.77 1au9 s ALA 48 Cb 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1au9 s ALA 48 CO 0.00 -0.47 -0.16 0.45 0.00 0.00 0.00 175.76 175.58 1au9 s SER 49 N -1.76 3.82 -0.04 0.00 0.15 -1.26 -0.74 113.70 113.86 1au9 s SER 49 Ca -0.07 -0.33 0.09 0.00 0.70 0.00 0.00 55.95 56.35 1au9 s SER 49 Cb -0.01 -1.23 0.26 0.00 -1.71 0.00 0.00 66.02 63.33 1au9 s SER 49 CO 0.01 0.24 1.21 0.49 1.20 0.00 0.00 173.24 176.38 1au9 n PHE 50 N 3.04 0.38 -3.29 3.44 3.72 0.77 -4.94 117.46 120.58 1au9 n PHE 50 Ca -0.18 -0.60 -0.40 0.00 -0.05 0.00 0.00 57.45 56.23 1au9 n PHE 50 Cb 0.52 -0.09 -0.08 0.00 -0.94 0.00 0.00 39.48 38.90 1au9 n PHE 50 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1au9 s VAL 51 N -1.42 5.10 0.28 -4.37 1.01 -1.24 -4.75 120.40 115.01 1au9 s VAL 51 Ca 0.21 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 1au9 s VAL 51 Cb 0.13 -3.79 0.26 0.00 0.00 0.00 0.00 36.38 32.98 1au9 s VAL 51 CO 0.10 0.08 1.94 -0.65 0.00 0.00 0.00 175.10 176.57 1au9 h PRO 52 N 8.13 1.20 -0.01 2.72 0.11 -1.96 -2.55 132.00 139.64 1au9 h PRO 52 Ca -0.30 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1au9 h PRO 52 Cb 1.15 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1au9 h PRO 52 CO 0.69 0.79 -0.13 -1.13 -0.21 0.00 0.00 178.00 178.02 1au9 n SER 53 N -4.40 0.96 -3.45 -2.05 3.41 -1.26 -4.52 113.62 102.31 1au9 n SER 53 Ca 0.11 -1.00 -0.28 0.00 -0.26 0.00 0.00 58.87 57.44 1au9 n SER 53 Cb 0.03 0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 63.91 1au9 n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1au9 s GLU 54 N -2.31 0.84 0.00 4.33 2.02 -0.96 -5.00 118.70 117.62 1au9 s GLU 54 Ca 0.31 -1.84 0.26 0.00 0.02 0.00 0.00 54.97 53.72 1au9 s GLU 54 Cb 0.20 -1.49 1.32 0.00 0.10 0.00 0.00 34.13 34.27 1au9 s GLU 54 CO 0.44 -1.30 1.88 0.25 0.02 0.00 0.00 175.26 176.55 1au9 n THR 55 N 3.32 0.16 -3.75 3.63 -2.24 -1.25 -4.38 114.28 109.76 1au9 n THR 55 Ca 0.21 0.04 -0.37 0.00 -2.27 0.00 0.00 64.05 61.66 1au9 n THR 55 Cb 0.43 -0.61 -0.12 0.00 -2.10 0.00 0.00 70.33 67.92 1au9 n THR 55 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1au9 s ASN 56 N -2.55 5.16 0.27 3.42 3.84 -1.26 -4.59 114.94 119.23 1au9 s ASN 56 Ca 0.25 -0.66 0.25 0.00 0.21 0.00 0.00 52.86 52.90 1au9 s ASN 56 Cb 0.17 -1.89 0.96 0.00 -0.55 0.00 0.00 41.25 39.95 1au9 s ASN 56 CO 0.39 -0.18 1.74 1.55 -2.79 0.00 0.00 177.10 177.81 1au9 h PRO 57 N 8.24 0.00 -0.63 0.43 0.13 -1.84 -3.09 132.00 135.24 1au9 h PRO 57 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1au9 h PRO 57 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1au9 h PRO 57 CO 0.60 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.56 1au9 n PHE 58 N -2.31 1.22 -4.07 1.56 3.72 -1.26 -2.25 117.46 114.07 1au9 n PHE 58 Ca 0.03 -0.48 -0.32 0.00 -0.05 0.00 0.00 57.45 56.63 1au9 n PHE 58 Cb 0.28 -0.22 -0.16 0.00 -0.94 0.00 0.00 39.48 38.44 1au9 n PHE 58 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1au9 s GLN 59 N -1.81 2.57 -0.44 -1.08 -0.21 -1.17 -2.99 119.66 114.53 1au9 s GLN 59 Ca 0.41 -0.84 -0.07 0.00 0.02 0.00 0.00 55.36 54.88 1au9 s GLN 59 Cb 0.27 -2.48 0.11 0.00 1.00 0.00 0.00 33.01 31.90 1au9 s GLN 59 CO 0.20 -0.30 0.27 0.34 -2.12 0.00 0.00 175.29 173.67 1au9 s ASP 60 N 1.33 5.51 0.00 5.90 2.15 -1.26 -4.67 116.67 125.62 1au9 s ASP 60 Ca 0.02 -1.87 0.30 0.00 0.43 0.00 0.00 52.55 51.43 1au9 s ASP 60 Cb -0.14 -1.93 1.45 0.00 -0.30 0.00 0.00 42.92 42.00 1au9 s ASP 60 CO -0.11 -0.60 2.01 0.59 -0.17 0.00 0.00 175.17 176.89 1au9 n ASN 61 N 4.79 0.09 -0.11 -0.34 3.02 -1.26 -4.06 115.26 117.38 1au9 n ASN 61 Ca -0.06 -0.21 -0.19 0.00 -0.03 0.00 0.00 54.58 54.09 1au9 n ASN 61 Cb 0.41 -0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 1au9 n ASN 61 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1au9 n ASN 62 N -1.24 1.95 0.00 6.41 2.85 -1.26 -4.82 115.26 119.16 1au9 n ASN 62 Ca 0.14 0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.94 1au9 n ASN 62 Cb 0.25 -0.78 0.00 0.00 1.24 0.00 0.00 39.78 40.49 1au9 n ASN 62 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1au9 n SER 63 N -4.36 0.00 -0.10 1.20 3.41 -1.26 -4.98 113.62 107.53 1au9 n SER 63 Ca -0.33 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.18 1au9 n SER 63 Cb 0.69 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.61 1au9 n SER 63 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1au9 h HIS 64 N 0.00 0.48 -0.65 7.33 6.17 -1.92 -2.54 115.15 124.01 1au9 h HIS 64 Ca 0.00 -0.05 -0.06 0.00 0.71 0.00 0.00 60.37 60.98 1au9 h HIS 64 Cb 0.00 -0.14 -0.03 0.00 2.52 0.00 0.00 27.41 29.76 1au9 h HIS 64 CO 0.00 0.49 0.17 0.78 0.71 0.00 0.00 177.93 180.08 1au9 h GLY 65 N 0.33 1.11 1.01 5.26 0.00 -1.87 -1.77 103.07 107.14 1au9 h GLY 65 Ca 0.10 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 1au9 h GLY 65 CO -0.00 0.64 0.23 -0.84 0.00 0.00 0.00 176.54 176.56 1au9 h THR 66 N 0.95 1.24 -0.30 4.70 2.02 -1.47 -0.45 112.91 119.61 1au9 h THR 66 Ca 0.21 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 1au9 h THR 66 Cb 0.34 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1au9 h THR 66 CO -0.00 0.31 0.15 -0.74 0.37 0.00 0.00 175.52 175.60 1au9 h HIS 67 N 0.89 0.43 -0.02 3.16 6.17 -1.09 -1.58 115.15 123.11 1au9 h HIS 67 Ca 0.21 -0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.27 1au9 h HIS 67 Cb 0.25 -0.13 -0.00 0.00 2.52 0.00 0.00 27.41 30.04 1au9 h HIS 67 CO 0.02 0.37 0.01 0.28 0.71 0.00 0.00 177.93 179.32 1au9 h VAL 68 N 0.35 1.05 -0.97 5.26 2.07 -1.24 -2.43 116.25 120.35 1au9 h VAL 68 Ca 0.10 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.56 1au9 h VAL 68 Cb 0.10 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 1au9 h VAL 68 CO -0.01 0.04 0.61 0.00 0.02 0.00 0.00 177.57 178.23 1au9 h ALA 69 N 0.94 1.40 -0.11 1.67 0.00 -0.95 -1.48 119.26 120.74 1au9 h ALA 69 Ca 0.01 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1au9 h ALA 69 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1au9 h ALA 69 CO -0.00 0.28 -0.31 0.78 0.00 0.00 0.00 179.25 180.00 1au9 h GLY 70 N 1.02 0.21 1.20 0.00 0.00 -0.88 0.20 103.07 104.82 1au9 h GLY 70 Ca 0.45 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.50 1au9 h GLY 70 CO -0.23 0.16 -0.13 -0.84 0.00 0.00 0.00 176.54 175.50 1au9 h THR 71 N 0.18 1.27 0.46 4.70 2.02 -0.82 -1.35 112.91 119.35 1au9 h THR 71 Ca 0.02 -1.26 -0.02 0.00 0.77 0.00 0.00 66.41 65.92 1au9 h THR 71 Cb 0.64 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1au9 h THR 71 CO 0.05 0.44 -0.22 0.58 0.37 0.00 0.00 175.52 176.73 1au9 h VAL 72 N 0.83 0.48 -0.19 3.16 2.07 -1.03 0.73 116.25 122.31 1au9 h VAL 72 Ca 0.13 -0.38 -0.20 0.00 0.82 0.00 0.00 66.70 67.07 1au9 h VAL 72 Cb 0.67 0.64 -0.35 0.00 -1.52 0.00 0.00 31.29 30.73 1au9 h VAL 72 CO 0.05 0.06 -0.95 0.00 0.02 0.00 0.00 177.57 176.75 1au9 n ALA 73 N -2.51 2.62 -1.71 1.67 0.00 0.66 -0.38 120.51 120.86 1au9 n ALA 73 Ca -0.11 -2.28 -0.43 0.00 0.00 0.00 0.00 53.44 50.62 1au9 n ALA 73 Cb 0.30 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 1au9 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1au9 n ALA 74 N -0.23 2.09 -1.72 0.00 0.00 -0.52 -4.62 120.51 115.52 1au9 n ALA 74 Ca 0.02 0.40 -0.37 0.00 0.00 0.00 0.00 53.44 53.49 1au9 n ALA 74 Cb 0.93 -2.42 0.07 0.00 0.00 0.00 0.00 19.45 18.03 1au9 n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1au9 s LEU 75 N 0.35 3.57 -0.62 0.00 1.43 0.19 -0.72 118.68 122.88 1au9 s LEU 75 Ca 0.71 2.60 -0.22 0.00 -1.03 0.00 0.00 54.13 56.19 1au9 s LEU 75 Cb -0.57 -4.62 0.07 0.00 0.03 0.00 0.00 46.19 41.11 1au9 s LEU 75 CO 0.42 -1.99 0.88 0.21 0.23 0.00 0.00 176.35 176.10 1au9 s ASN 76 N -1.42 6.20 0.00 2.29 2.47 -1.26 -4.56 114.94 118.65 1au9 s ASN 76 Ca 0.82 -1.01 0.00 0.00 0.42 0.00 0.00 52.86 53.10 1au9 s ASN 76 Cb -0.37 -2.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.05 1au9 s ASN 76 CO 0.39 -1.31 0.00 -0.46 -3.72 0.00 0.00 177.10 172.01 1au9 n ASN 77 N 7.27 0.00 -1.06 -4.21 0.23 -1.26 -5.06 115.26 111.17 1au9 n ASN 77 Ca -0.05 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.10 1au9 n ASN 77 Cb 0.45 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.40 1au9 n ASN 77 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1au9 n SER 78 N 0.00 3.52 -4.43 0.53 3.41 -1.26 -4.65 113.62 110.74 1au9 n SER 78 Ca 0.00 -1.99 -0.21 0.00 -0.26 0.00 0.00 58.87 56.40 1au9 n SER 78 Cb 0.00 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.47 1au9 n SER 78 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1au9 s ILE 79 N -1.01 1.66 0.00 -1.33 -4.36 -1.26 -2.17 121.20 112.72 1au9 s ILE 79 Ca 0.38 -2.13 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 1au9 s ILE 79 Cb 0.20 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.47 1au9 s ILE 79 CO 0.26 -0.31 0.00 0.61 0.24 0.00 0.00 174.94 175.74 1au9 n GLY 80 N -0.58 3.58 0.00 6.27 0.00 -1.24 -4.58 105.19 108.64 1au9 n GLY 80 Ca -0.05 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1au9 n GLY 80 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1au9 n VAL 81 N 0.00 0.00 -3.77 1.61 0.24 -1.26 -0.38 118.33 114.77 1au9 n VAL 81 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 1au9 n VAL 81 Cb 0.00 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.21 1au9 n VAL 81 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1au9 s LEU 82 N 0.00 1.11 0.66 1.34 2.96 -1.19 -4.52 118.68 119.04 1au9 s LEU 82 Ca 0.00 0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 53.86 1au9 s LEU 82 Cb 0.00 -0.06 0.02 0.00 0.50 0.00 0.00 46.19 46.64 1au9 s LEU 82 CO 0.00 -0.12 1.01 -0.83 -1.32 0.00 0.00 176.35 175.09 1au9 s GLY 83 N 1.03 1.62 0.24 7.98 0.00 0.10 -4.62 107.32 113.67 1au9 s GLY 83 Ca -0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 44.72 44.07 1au9 s GLY 83 CO -0.03 -0.19 1.75 -2.08 0.00 0.00 0.00 173.10 172.55 1au9 h VAL 84 N -0.46 1.25 -2.51 1.40 2.07 -0.26 -3.34 116.25 114.39 1au9 h VAL 84 Ca -0.45 -0.99 -0.60 0.00 0.82 0.00 0.00 66.70 65.48 1au9 h VAL 84 Cb 1.26 0.77 -0.40 0.00 -1.52 0.00 0.00 31.29 31.40 1au9 h VAL 84 CO 0.62 0.36 -0.82 0.00 0.02 0.00 0.00 177.57 177.75 1au9 n ALA 85 N -2.47 3.12 0.27 1.67 0.00 0.49 -4.89 120.51 118.70 1au9 n ALA 85 Ca 0.03 -3.81 0.11 0.00 0.00 0.00 0.00 53.44 49.77 1au9 n ALA 85 Cb 0.29 -0.87 0.53 0.00 0.00 0.00 0.00 19.45 19.40 1au9 n ALA 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1au9 n PRO 86 N 2.08 0.16 -0.07 0.00 -0.04 -1.09 -1.96 135.00 134.10 1au9 n PRO 86 Ca 0.25 0.53 0.10 0.00 -0.04 0.00 0.00 63.50 64.34 1au9 n PRO 86 Cb 0.44 -1.91 0.12 0.00 -0.04 0.00 0.00 33.50 32.11 1au9 n PRO 86 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1au9 s ALA 88 N -1.46 2.06 -0.36 0.00 0.00 -0.83 -3.80 121.76 117.38 1au9 s ALA 88 Ca 0.26 0.69 -0.20 0.00 0.00 0.00 0.00 51.96 52.71 1au9 s ALA 88 Cb 0.17 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1au9 s ALA 88 CO 0.24 -1.94 0.59 -1.12 0.00 0.00 0.00 175.76 173.53 1au9 s SER 89 N -2.42 6.37 -0.15 0.00 0.01 0.11 -4.97 113.70 112.66 1au9 s SER 89 Ca 0.70 0.03 -0.15 0.00 1.31 0.00 0.00 55.95 57.83 1au9 s SER 89 Cb -0.25 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 1au9 s SER 89 CO 0.48 -0.57 0.36 -0.22 0.41 0.00 0.00 173.24 173.71 1au9 s LEU 90 N 2.60 4.25 -0.09 2.44 2.96 -1.26 -0.54 118.68 129.04 1au9 s LEU 90 Ca 0.22 0.62 0.04 0.00 -0.22 0.00 0.00 54.13 54.79 1au9 s LEU 90 Cb -0.15 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 44.05 1au9 s LEU 90 CO 0.15 0.06 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.70 1au9 s TYR 91 N 0.54 2.35 -0.44 5.38 1.51 -0.05 -0.20 117.35 126.43 1au9 s TYR 91 Ca 0.20 -0.92 -0.17 0.00 -1.01 0.00 0.00 57.07 55.17 1au9 s TYR 91 Cb -0.14 -1.58 0.03 0.00 -0.11 0.00 0.00 41.96 40.17 1au9 s TYR 91 CO 0.06 -0.37 0.46 0.00 -1.11 0.00 0.00 175.55 174.60 1au9 s ALA 92 N 0.33 3.44 -0.42 3.71 0.00 -0.40 -0.24 121.76 128.18 1au9 s ALA 92 Ca -0.16 -1.64 -0.06 0.00 0.00 0.00 0.00 51.96 50.10 1au9 s ALA 92 Cb -0.17 -3.11 0.10 0.00 0.00 0.00 0.00 23.12 19.95 1au9 s ALA 92 CO 0.07 -1.68 0.23 0.08 0.00 0.00 0.00 175.76 174.47 1au9 s VAL 93 N 2.15 3.69 -0.40 0.00 1.01 -0.72 -1.20 120.40 124.93 1au9 s VAL 93 Ca 0.11 -1.80 -0.21 0.00 0.00 0.00 0.00 61.98 60.08 1au9 s VAL 93 Cb -0.18 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1au9 s VAL 93 CO 0.12 -0.63 0.68 -0.75 0.00 0.00 0.00 175.10 174.53 1au9 s LYS 94 N 1.26 3.53 0.00 2.72 2.20 0.08 -1.16 119.74 128.37 1au9 s LYS 94 Ca 0.05 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1au9 s LYS 94 Cb -0.23 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.22 1au9 s LYS 94 CO -0.02 -0.89 0.26 1.33 -0.36 0.00 0.00 175.35 175.67 1au9 n VAL 95 N 5.79 0.00 -4.96 4.02 0.24 0.02 -0.16 118.33 123.27 1au9 n VAL 95 Ca -0.00 -0.37 -0.29 0.00 -2.04 0.00 0.00 64.34 61.64 1au9 n VAL 95 Cb 0.48 1.19 -0.15 0.00 -1.47 0.00 0.00 33.84 33.89 1au9 n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1au9 s LEU 96 N -0.42 2.13 0.00 1.34 1.43 -0.91 -4.47 118.68 117.78 1au9 s LEU 96 Ca 0.00 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1au9 s LEU 96 Cb 0.00 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 45.02 1au9 s LEU 96 CO 0.00 0.26 0.21 0.61 0.23 0.00 0.00 176.35 177.65 1au9 n GLY 97 N 1.99 0.37 0.35 -3.19 0.00 -0.23 -4.43 105.19 100.03 1au9 n GLY 97 Ca -0.17 -1.91 0.14 0.00 0.00 0.00 0.00 46.02 44.08 1au9 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1au9 h ALA 98 N -0.77 2.20 -0.00 4.61 0.00 -1.87 0.12 119.26 123.54 1au9 h ALA 98 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1au9 h ALA 98 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1au9 h ALA 98 CO 0.07 -0.31 -0.01 -0.40 0.00 0.00 0.00 179.25 178.60 1au9 n ASP 99 N -4.45 0.18 0.00 0.00 5.68 -1.26 -4.18 116.55 112.53 1au9 n ASP 99 Ca 0.08 -0.93 0.00 0.00 -0.50 0.00 0.00 54.79 53.44 1au9 n ASP 99 Cb 0.41 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1au9 n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1au9 n GLY 100 N 1.07 0.85 3.84 6.12 0.00 0.41 -5.04 105.19 112.44 1au9 n GLY 100 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1au9 n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1au9 s SER 101 N -2.75 5.24 -0.05 1.61 1.04 -1.26 -4.80 113.70 112.73 1au9 s SER 101 Ca 0.00 -0.51 -0.29 0.00 0.48 0.00 0.00 55.95 55.63 1au9 s SER 101 Cb 0.00 -0.97 0.10 0.00 0.10 0.00 0.00 66.02 65.25 1au9 s SER 101 CO 0.00 -0.33 0.86 -0.83 0.98 0.00 0.00 173.24 173.92 1au9 s GLY 102 N -3.97 -0.44 0.41 7.32 0.00 -1.26 -1.07 107.32 108.31 1au9 s GLY 102 Ca 0.40 1.34 -0.20 0.00 0.00 0.00 0.00 44.72 46.25 1au9 s GLY 102 CO 0.26 0.64 0.92 1.20 0.00 0.00 0.00 173.10 176.12 1au9 s GLN 103 N -2.23 4.21 0.28 2.90 -1.52 -1.26 -4.97 119.66 117.08 1au9 s GLN 103 Ca -0.00 1.06 -0.01 0.00 -1.95 0.00 0.00 55.36 54.47 1au9 s GLN 103 Cb -0.01 -2.24 0.48 0.00 -0.22 0.00 0.00 33.01 31.02 1au9 s GLN 103 CO -0.03 0.01 1.89 1.88 -0.25 0.00 0.00 175.29 178.79 1au9 h TYR 104 N 2.01 1.14 -0.99 0.91 -1.99 -2.00 -1.24 116.97 114.81 1au9 h TYR 104 Ca -0.49 0.03 0.08 0.00 2.00 0.00 0.00 58.73 60.35 1au9 h TYR 104 Cb 1.18 -0.37 -0.07 0.00 2.00 0.00 0.00 36.73 39.47 1au9 h TYR 104 CO 0.62 0.57 0.63 0.66 -0.00 0.00 0.00 178.16 180.64 1au9 h SER 105 N 1.10 1.00 -0.37 3.88 4.64 -1.99 0.84 113.55 122.64 1au9 h SER 105 Ca 0.43 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.69 1au9 h SER 105 Cb 0.23 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1au9 h SER 105 CO -0.18 0.62 -0.08 -0.50 -0.87 0.00 0.00 176.83 175.82 1au9 h TRP 106 N 1.12 0.80 -0.37 4.77 6.55 -1.54 -1.15 115.95 126.13 1au9 h TRP 106 Ca 0.44 -0.17 -0.02 0.00 0.95 0.00 0.00 58.89 60.09 1au9 h TRP 106 Cb 0.23 -0.20 -0.02 0.00 -0.86 0.00 0.00 29.16 28.32 1au9 h TRP 106 CO -0.01 0.85 0.16 0.82 -1.05 0.00 0.00 178.44 179.22 1au9 h ILE 107 N 0.51 1.18 -0.68 1.49 2.04 -0.87 -1.98 117.51 119.21 1au9 h ILE 107 Ca 0.10 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 1au9 h ILE 107 Cb 0.59 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1au9 h ILE 107 CO 0.03 0.20 0.18 0.40 0.00 0.00 0.00 178.15 178.96 1au9 h ILE 108 N 0.45 1.25 -0.84 -0.67 2.04 -0.78 -0.80 117.51 118.16 1au9 h ILE 108 Ca 0.12 -0.92 0.08 0.00 1.00 0.00 0.00 64.86 65.14 1au9 h ILE 108 Cb 0.16 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 36.71 1au9 h ILE 108 CO -0.01 0.35 0.50 0.78 0.00 0.00 0.00 178.15 179.78 1au9 h ASN 109 N 1.02 0.76 -0.60 1.72 2.35 -0.96 -0.36 115.58 119.51 1au9 h ASN 109 Ca 0.22 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.91 1au9 h ASN 109 Cb 0.34 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1au9 h ASN 109 CO -0.00 0.46 0.03 1.23 -1.65 0.00 0.00 177.43 177.50 1au9 h GLY 110 N 0.88 1.11 0.91 2.83 0.00 -0.58 -0.43 103.07 107.79 1au9 h GLY 110 Ca 0.39 -0.80 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 1au9 h GLY 110 CO -0.21 0.73 -0.00 -2.22 0.00 0.00 0.00 176.54 174.84 1au9 h ILE 111 N 0.93 1.26 -0.78 2.60 2.04 -0.73 -0.71 117.51 122.12 1au9 h ILE 111 Ca 0.17 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.10 1au9 h ILE 111 Cb 0.51 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 1au9 h ILE 111 CO 0.02 0.32 0.49 -0.33 0.00 0.00 0.00 178.15 178.66 1au9 h GLU 112 N 0.40 0.93 -0.51 2.37 4.39 -0.92 -0.83 114.58 120.41 1au9 h GLU 112 Ca 0.10 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1au9 h GLU 112 Cb 0.45 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1au9 h GLU 112 CO 0.02 0.62 0.30 2.35 -1.16 0.00 0.00 179.01 181.13 1au9 h TRP 113 N 0.96 0.69 -1.01 4.33 7.01 -0.89 -1.19 115.95 125.85 1au9 h TRP 113 Ca 0.31 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.32 1au9 h TRP 113 Cb 0.03 -0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 26.81 1au9 h TRP 113 CO -0.03 0.49 0.67 0.00 -2.79 0.00 0.00 178.44 176.77 1au9 h ALA 114 N 1.14 1.27 -0.01 2.65 0.00 0.16 -1.09 119.26 123.38 1au9 h ALA 114 Ca 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1au9 h ALA 114 Cb 0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1au9 h ALA 114 CO -0.03 0.67 0.00 0.82 0.00 0.00 0.00 179.25 180.70 1au9 h ILE 115 N 1.36 1.23 -0.02 0.00 2.04 -0.90 -1.83 117.51 119.39 1au9 h ILE 115 Ca 0.37 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1au9 h ILE 115 Cb -0.16 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1au9 h ILE 115 CO -0.08 0.18 -0.02 0.00 0.00 0.00 0.00 178.15 178.23 1au9 h ALA 116 N 0.72 1.93 -0.48 1.87 0.00 -0.86 -1.66 119.26 120.77 1au9 h ALA 116 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1au9 h ALA 116 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1au9 h ALA 116 CO 0.00 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.40 1au9 n ASN 117 N -4.50 2.75 -3.52 0.00 3.02 -0.44 -4.96 115.26 107.60 1au9 n ASN 117 Ca -0.03 -2.06 -0.19 0.00 -0.03 0.00 0.00 54.58 52.27 1au9 n ASN 117 Cb 0.12 -0.35 0.08 0.00 -0.61 0.00 0.00 39.78 39.01 1au9 n ASN 117 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1au9 n ASN 118 N 0.87 -2.55 -4.77 6.41 5.03 -0.63 -4.96 115.26 114.66 1au9 n ASN 118 Ca 0.16 -0.65 -0.37 0.00 0.87 0.00 0.00 54.58 54.59 1au9 n ASN 118 Cb 0.45 -4.87 -0.03 0.00 -1.02 0.00 0.00 39.78 34.32 1au9 n ASN 118 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1au9 s MET 119 N -5.65 4.09 -0.08 3.52 -1.94 -0.71 -4.85 119.30 113.68 1au9 s MET 119 Ca 0.10 1.68 -0.12 0.00 -1.71 0.00 0.00 55.69 55.64 1au9 s MET 119 Cb -0.05 -2.61 -0.29 0.00 2.01 0.00 0.00 34.83 33.90 1au9 s MET 119 CO 0.75 -0.24 0.58 -0.44 -0.01 0.00 0.00 175.02 175.66 1au9 h ASP 120 N 2.56 0.51 -3.89 3.03 3.32 -1.07 -3.44 116.42 117.44 1au9 h ASP 120 Ca -0.48 -0.91 -0.44 0.00 0.02 0.00 0.00 57.03 55.21 1au9 h ASP 120 Cb 1.23 -0.17 -0.30 0.00 0.22 0.00 0.00 39.33 40.31 1au9 h ASP 120 CO 0.62 1.75 -0.79 -0.69 -1.72 0.00 0.00 179.24 178.41 1au9 s VAL 121 N -2.54 0.88 -0.10 -1.35 1.01 -0.66 -1.11 120.40 116.52 1au9 s VAL 121 Ca -0.18 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1au9 s VAL 121 Cb 0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 1au9 s VAL 121 CO 0.81 0.26 -0.19 -0.63 0.00 0.00 0.00 175.10 175.36 1au9 s ILE 122 N 0.07 2.55 -0.17 2.22 1.01 0.88 -0.90 121.20 126.86 1au9 s ILE 122 Ca -0.01 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1au9 s ILE 122 Cb -0.08 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1au9 s ILE 122 CO 0.00 0.55 -0.11 0.21 0.00 0.00 0.00 174.94 175.59 1au9 s ASN 123 N 0.21 3.99 -0.43 3.58 2.47 0.36 -1.14 114.94 123.97 1au9 s ASN 123 Ca -0.12 -0.39 0.03 0.00 0.42 0.00 0.00 52.86 52.80 1au9 s ASN 123 Cb -0.16 -1.64 0.12 0.00 -1.45 0.00 0.00 41.25 38.12 1au9 s ASN 123 CO 0.06 0.08 0.18 -0.04 -3.72 0.00 0.00 177.10 173.67 1au9 s MET 124 N 0.86 1.55 -1.28 0.43 -1.94 0.38 -1.61 119.30 117.69 1au9 s MET 124 Ca -0.03 -2.12 -0.06 0.00 -1.71 0.00 0.00 55.69 51.77 1au9 s MET 124 Cb -0.15 -2.91 0.16 0.00 2.01 0.00 0.00 34.83 33.94 1au9 s MET 124 CO 0.00 -1.07 2.15 0.43 -0.01 0.00 0.00 175.02 176.52 1au9 n SER 125 N 3.69 7.02 -3.71 3.03 7.64 -1.26 -1.48 113.62 128.55 1au9 n SER 125 Ca 0.05 -3.18 -0.10 0.00 1.01 0.00 0.00 58.87 56.65 1au9 n SER 125 Cb 0.36 -1.38 -0.03 0.00 -1.01 0.00 0.00 64.21 62.15 1au9 n SER 125 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1au9 s LEU 126 N -1.71 -0.06 -0.19 -3.43 0.05 -1.26 -4.87 118.68 107.21 1au9 s LEU 126 Ca 0.47 -0.44 -0.34 0.00 0.05 0.00 0.00 54.13 53.88 1au9 s LEU 126 Cb 0.15 2.28 0.14 0.00 -2.05 0.00 0.00 46.19 46.72 1au9 s LEU 126 CO -0.06 -1.08 1.20 -0.83 -0.55 0.00 0.00 176.35 175.03 1au9 s GLY 127 N -2.87 -0.25 0.10 -3.48 0.00 -1.26 -4.46 107.32 95.11 1au9 s GLY 127 Ca 0.09 1.78 0.01 0.00 0.00 0.00 0.00 44.72 46.59 1au9 s GLY 127 CO -0.03 0.64 -0.04 -0.32 0.00 0.00 0.00 173.10 173.36 1au9 s GLY 128 N -1.95 0.80 0.25 0.20 0.00 -0.31 -4.90 107.32 101.41 1au9 s GLY 128 Ca 0.08 -1.37 0.25 0.00 0.00 0.00 0.00 44.72 43.68 1au9 s GLY 128 CO -0.05 -1.44 1.75 -0.56 0.00 0.00 0.00 173.10 172.81 1au9 h PRO 129 N 2.95 0.00 -6.03 2.90 0.13 -1.95 0.53 132.00 130.52 1au9 h PRO 129 Ca -0.35 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.22 1au9 h PRO 129 Cb 1.17 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.06 1au9 h PRO 129 CO 0.64 0.00 -0.83 -1.54 -0.23 0.00 0.00 178.00 176.04 1au9 s SER 130 N -4.52 2.41 0.31 1.44 1.04 -1.26 -4.82 113.70 108.30 1au9 s SER 130 Ca 0.08 -0.57 0.05 0.00 0.48 0.00 0.00 55.95 55.98 1au9 s SER 130 Cb 0.11 -0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.11 1au9 s SER 130 CO 0.52 0.11 0.42 0.61 0.98 0.00 0.00 173.24 175.88 1au9 n GLY 131 N 1.58 2.01 3.40 7.32 0.00 -1.26 -4.74 105.19 113.49 1au9 n GLY 131 Ca -0.18 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.53 1au9 n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1au9 s SER 132 N -2.93 -0.47 0.28 1.61 1.04 -1.26 -5.03 113.70 106.94 1au9 s SER 132 Ca 0.32 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.80 1au9 s SER 132 Cb -0.03 0.54 0.39 0.00 0.10 0.00 0.00 66.02 67.03 1au9 s SER 132 CO 0.20 -0.85 1.75 0.00 0.98 0.00 0.00 173.24 175.33 1au9 h ALA 133 N 2.37 1.13 -0.23 5.32 0.00 -2.01 -1.65 119.26 124.20 1au9 h ALA 133 Ca -0.33 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 1au9 h ALA 133 Cb 1.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1au9 h ALA 133 CO 0.41 0.55 -0.37 0.00 0.00 0.00 0.00 179.25 179.84 1au9 h ALA 134 N 1.30 0.94 -0.16 0.00 0.00 -1.98 0.11 119.26 119.47 1au9 h ALA 134 Ca 0.10 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1au9 h ALA 134 Cb 0.53 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1au9 h ALA 134 CO 0.03 0.62 -0.05 1.25 0.00 0.00 0.00 179.25 181.10 1au9 h LEU 135 N 0.42 0.32 -0.62 0.00 5.85 -1.90 -1.94 115.31 117.44 1au9 h LEU 135 Ca 0.04 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1au9 h LEU 135 Cb 0.83 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1au9 h LEU 135 CO 0.07 0.62 0.34 0.50 -0.34 0.00 0.00 178.44 179.63 1au9 h LYS 136 N 0.01 0.87 -0.90 1.25 3.64 -1.16 -2.26 116.57 118.02 1au9 h LYS 136 Ca 0.04 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1au9 h LYS 136 Cb 0.49 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1au9 h LYS 136 CO 0.02 0.67 0.53 0.00 -2.27 0.00 0.00 179.45 178.39 1au9 h ALA 137 N 1.16 1.14 -0.19 5.00 0.00 -0.71 -1.29 119.26 124.36 1au9 h ALA 137 Ca 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1au9 h ALA 137 Cb 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1au9 h ALA 137 CO -0.03 0.61 -0.02 0.00 0.00 0.00 0.00 179.25 179.81 1au9 h ALA 138 N 1.29 0.26 -0.64 0.00 0.00 -1.06 0.32 119.26 119.43 1au9 h ALA 138 Ca 0.32 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1au9 h ALA 138 Cb -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1au9 h ALA 138 CO -0.06 0.01 0.15 -0.39 0.00 0.00 0.00 179.25 178.96 1au9 h VAL 139 N 0.09 1.25 -0.66 0.00 -1.51 -1.30 -1.17 116.25 112.96 1au9 h VAL 139 Ca 0.05 -0.93 -0.08 0.00 -1.23 0.00 0.00 66.70 64.51 1au9 h VAL 139 Cb 0.44 0.60 -0.03 0.00 -2.13 0.00 0.00 31.29 30.17 1au9 h VAL 139 CO 0.01 0.35 0.08 0.44 -1.23 0.00 0.00 177.57 177.23 1au9 h ASP 140 N 0.97 1.06 -0.79 4.19 3.32 -1.13 -1.54 116.42 122.50 1au9 h ASP 140 Ca 0.20 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1au9 h ASP 140 Cb 0.36 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1au9 h ASP 140 CO 0.00 1.07 0.31 0.50 -1.72 0.00 0.00 179.24 179.40 1au9 h LYS 141 N 1.02 1.19 -0.22 3.56 3.64 -0.60 0.76 116.57 125.92 1au9 h LYS 141 Ca 0.20 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1au9 h LYS 141 Cb 0.48 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1au9 h LYS 141 CO 0.02 0.96 0.09 0.00 -2.27 0.00 0.00 179.45 178.25 1au9 h ALA 142 N 1.18 0.28 -0.71 5.00 0.00 -0.78 -0.54 119.26 123.70 1au9 h ALA 142 Ca 0.26 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1au9 h ALA 142 Cb 0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1au9 h ALA 142 CO -0.02 -0.13 0.22 0.28 0.00 0.00 0.00 179.25 179.61 1au9 h VAL 143 N 0.20 1.25 0.00 0.00 2.07 -1.01 -0.47 116.25 118.30 1au9 h VAL 143 Ca 0.07 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1au9 h VAL 143 Cb 0.17 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1au9 h VAL 143 CO -0.01 0.34 -0.16 0.00 0.02 0.00 0.00 177.57 177.77 1au9 h ALA 144 N 1.19 1.37 -0.09 1.67 0.00 -0.40 -1.42 119.26 121.59 1au9 h ALA 144 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1au9 h ALA 144 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1au9 h ALA 144 CO -0.01 0.20 0.00 0.43 0.00 0.00 0.00 179.25 179.87 1au9 n SER 145 N -3.82 1.60 0.00 0.00 7.64 -0.25 -4.94 113.62 113.86 1au9 n SER 145 Ca -0.02 -1.60 0.00 0.00 1.01 0.00 0.00 58.87 58.26 1au9 n SER 145 Cb 0.26 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1au9 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1au9 n GLY 146 N 1.16 0.77 3.84 0.23 0.00 -0.53 -5.06 105.19 105.59 1au9 n GLY 146 Ca 0.18 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1au9 n GLY 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1au9 s VAL 147 N -2.00 4.87 -0.22 1.61 1.01 -0.24 -4.33 120.40 121.10 1au9 s VAL 147 Ca 0.00 0.85 -0.21 0.00 0.00 0.00 0.00 61.98 62.62 1au9 s VAL 147 Cb 0.00 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1au9 s VAL 147 CO 0.00 0.31 0.64 -0.69 0.00 0.00 0.00 175.10 175.36 1au9 s VAL 148 N -1.39 5.00 -0.22 2.92 1.01 -0.27 -4.14 120.40 123.32 1au9 s VAL 148 Ca 0.35 1.19 -0.04 0.00 0.00 0.00 0.00 61.98 63.48 1au9 s VAL 148 Cb -0.16 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1au9 s VAL 148 CO 0.19 0.07 -0.04 -0.69 0.00 0.00 0.00 175.10 174.63 1au9 s VAL 149 N 2.15 3.38 -0.06 2.92 1.01 -1.26 -0.08 120.40 128.45 1au9 s VAL 149 Ca 0.28 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1au9 s VAL 149 Cb -0.16 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1au9 s VAL 149 CO 0.10 0.43 -0.23 -0.69 0.00 0.00 0.00 175.10 174.70 1au9 s VAL 150 N 1.44 2.20 0.03 2.92 1.01 -0.29 -1.39 120.40 126.32 1au9 s VAL 150 Ca 0.05 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1au9 s VAL 150 Cb -0.14 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1au9 s VAL 150 CO -0.03 0.57 -0.05 0.00 0.00 0.00 0.00 175.10 175.59 1au9 s ALA 151 N -0.15 0.34 0.28 5.51 0.00 -0.03 -0.47 121.76 127.24 1au9 s ALA 151 Ca -0.04 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 1au9 s ALA 151 Cb -0.14 0.12 -0.10 0.00 0.00 0.00 0.00 23.12 23.01 1au9 s ALA 151 CO 0.04 -0.13 1.11 0.00 0.00 0.00 0.00 175.76 176.78 1au9 s ALA 152 N -1.73 3.41 0.38 0.00 0.00 -0.55 -1.29 121.76 121.98 1au9 s ALA 152 Ca -0.11 0.92 0.09 0.00 0.00 0.00 0.00 51.96 52.86 1au9 s ALA 152 Cb -0.08 -3.34 0.74 0.00 0.00 0.00 0.00 23.12 20.45 1au9 s ALA 152 CO -0.01 -0.19 1.89 0.00 0.00 0.00 0.00 175.76 177.44 1au9 h ALA 153 N 3.81 1.46 0.00 0.00 0.00 -1.49 -3.42 119.26 119.62 1au9 h ALA 153 Ca -0.47 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1au9 h ALA 153 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1au9 h ALA 153 CO 0.67 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.71 1au9 n GLY 154 N -0.78 3.47 1.84 0.00 0.00 -1.26 -0.97 105.19 107.49 1au9 n GLY 154 Ca -0.01 -1.89 -0.21 0.00 0.00 0.00 0.00 46.02 43.92 1au9 n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1au9 n ASN 155 N 0.00 4.84 -0.42 1.61 3.02 -1.26 -1.79 115.26 121.26 1au9 n ASN 155 Ca 0.00 -3.78 0.12 0.00 -0.03 0.00 0.00 54.58 50.90 1au9 n ASN 155 Cb 0.00 -0.55 0.24 0.00 -0.61 0.00 0.00 39.78 38.87 1au9 n ASN 155 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1au9 n GLU 156 N -0.86 1.18 0.00 3.52 -0.58 -0.99 -4.76 120.64 118.14 1au9 n GLU 156 Ca 0.45 -0.83 0.00 0.00 -0.42 0.00 0.00 57.16 56.35 1au9 n GLU 156 Cb 0.90 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 1au9 n GLU 156 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1au9 n GLY 157 N 1.35 0.87 3.93 0.62 0.00 -0.32 -4.77 105.19 106.87 1au9 n GLY 157 Ca 0.12 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 1au9 n GLY 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1au9 s THR 158 N 0.00 5.23 -0.47 2.61 -4.23 -1.26 -3.79 115.64 113.73 1au9 s THR 158 Ca 0.00 -0.41 0.06 0.00 -1.18 0.00 0.00 61.69 60.15 1au9 s THR 158 Cb 0.00 -3.73 0.18 0.00 1.34 0.00 0.00 72.50 70.29 1au9 s THR 158 CO 0.00 -0.13 0.55 -0.55 -0.54 0.00 0.00 174.62 173.94 1au9 s SER 159 N -3.12 -0.12 1.36 3.99 0.15 -1.26 -5.09 113.70 109.61 1au9 s SER 159 Ca 0.38 -2.32 0.00 0.00 0.70 0.00 0.00 55.95 54.71 1au9 s SER 159 Cb -0.11 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1au9 s SER 159 CO 0.29 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1au9 n GLY 160 N 2.94 1.40 0.06 9.45 0.00 -1.26 -2.13 105.19 115.64 1au9 n GLY 160 Ca 0.23 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.41 1au9 n GLY 160 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1au9 n SER 161 N 10.42 1.33 -4.96 1.61 3.41 -1.26 -5.09 113.62 119.07 1au9 n SER 161 Ca 0.00 -1.90 -0.22 0.00 -0.26 0.00 0.00 58.87 56.49 1au9 n SER 161 Cb 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1au9 n SER 161 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1au9 s SER 162 N -1.03 5.99 0.17 4.04 0.01 -0.91 -5.07 113.70 116.91 1au9 s SER 162 Ca 0.05 0.19 -0.30 0.00 1.31 0.00 0.00 55.95 57.20 1au9 s SER 162 Cb 0.04 -1.58 -0.07 0.00 0.21 0.00 0.00 66.02 64.62 1au9 s SER 162 CO 0.00 -0.51 0.98 -0.55 0.41 0.00 0.00 173.24 173.57 1au9 s SER 163 N -4.15 7.51 -0.08 2.44 0.15 -1.26 -4.53 113.70 113.77 1au9 s SER 163 Ca 0.45 1.90 0.12 0.00 0.70 0.00 0.00 55.95 59.12 1au9 s SER 163 Cb -0.10 -2.60 0.25 0.00 -1.71 0.00 0.00 66.02 61.87 1au9 s SER 163 CO 0.35 -0.02 1.17 0.35 1.20 0.00 0.00 173.24 176.29 1au9 n THR 164 N 2.26 1.58 -2.22 6.45 -2.24 0.14 -4.99 114.28 115.26 1au9 n THR 164 Ca 0.01 -1.65 -0.41 0.00 -2.27 0.00 0.00 64.05 59.72 1au9 n THR 164 Cb 0.48 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 1au9 n THR 164 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1au9 s VAL 165 N -2.06 3.15 0.60 2.28 1.01 -1.20 -4.61 120.40 119.56 1au9 s VAL 165 Ca 0.23 0.99 -0.00 0.00 0.00 0.00 0.00 61.98 63.20 1au9 s VAL 165 Cb 0.19 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 33.05 1au9 s VAL 165 CO 0.05 0.17 0.82 0.61 0.00 0.00 0.00 175.10 176.75 1au9 n GLY 166 N 2.01 0.68 3.81 4.51 0.00 -0.15 -4.73 105.19 111.32 1au9 n GLY 166 Ca 0.04 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 1au9 n GLY 166 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1au9 s TYR 167 N -2.49 3.39 -2.16 1.61 1.51 0.18 -0.48 117.35 118.90 1au9 s TYR 167 Ca 0.54 0.32 0.20 0.00 -1.01 0.00 0.00 57.07 57.13 1au9 s TYR 167 Cb -0.03 -1.82 0.95 0.00 -0.11 0.00 0.00 41.96 40.95 1au9 s TYR 167 CO 0.36 0.60 1.64 -0.35 -1.11 0.00 0.00 175.55 176.70 1au9 n PRO 168 N 1.55 1.40 -0.01 -1.71 -0.04 -1.26 -1.17 135.00 133.76 1au9 n PRO 168 Ca -0.16 -0.60 0.14 0.00 -0.04 0.00 0.00 63.50 62.85 1au9 n PRO 168 Cb 0.53 -1.36 0.58 0.00 -0.04 0.00 0.00 33.50 33.22 1au9 n PRO 168 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1au9 h ALA 169 N 3.86 2.18 0.00 0.55 0.00 -1.70 -1.88 119.26 122.27 1au9 h ALA 169 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1au9 h ALA 169 Cb 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1au9 h ALA 169 CO 0.00 -0.30 -0.04 -0.22 0.00 0.00 0.00 179.25 178.69 1au9 h LYS 170 N 0.22 0.00 -6.82 0.00 3.64 -1.06 -3.39 116.57 109.15 1au9 h LYS 170 Ca 0.23 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 59.11 1au9 h LYS 170 Cb 0.63 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1au9 h LYS 170 CO -0.04 0.04 0.49 0.71 -2.27 0.00 0.00 179.45 178.38 1au9 s TYR 171 N -3.94 3.51 0.47 1.91 2.02 -0.71 -4.91 117.35 115.70 1au9 s TYR 171 Ca -0.02 1.67 0.13 0.00 -0.37 0.00 0.00 57.07 58.48 1au9 s TYR 171 Cb 0.11 -3.33 1.10 0.00 -0.40 0.00 0.00 41.96 39.45 1au9 s TYR 171 CO 0.52 -0.71 2.08 -1.35 -1.57 0.00 0.00 175.55 174.52 1au9 h PRO 172 N 3.73 0.25 0.00 -1.71 0.10 -1.89 -1.53 132.00 130.94 1au9 h PRO 172 Ca -0.47 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.62 1au9 h PRO 172 Cb 1.21 -0.06 0.00 0.00 0.10 0.00 0.00 31.00 32.26 1au9 h PRO 172 CO 0.67 0.16 0.00 0.66 0.10 0.00 0.00 178.00 179.59 1au9 h SER 173 N 0.25 0.00 -3.09 -2.05 4.64 -1.93 -3.44 113.55 107.94 1au9 h SER 173 Ca 0.11 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.77 1au9 h SER 173 Cb 0.15 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.13 1au9 h SER 173 CO -0.02 0.00 -0.57 -0.69 -0.87 0.00 0.00 176.83 174.68 1au9 s VAL 174 N -3.35 4.74 -0.24 0.95 1.01 -0.58 -4.74 120.40 118.20 1au9 s VAL 174 Ca 0.04 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.52 1au9 s VAL 174 Cb 0.09 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 1au9 s VAL 174 CO 0.42 0.48 0.85 -0.63 0.00 0.00 0.00 175.10 176.21 1au9 s ILE 175 N -1.07 4.83 -0.25 2.22 1.01 -0.48 -4.80 121.20 122.65 1au9 s ILE 175 Ca 0.19 1.62 -0.12 0.00 0.00 0.00 0.00 60.65 62.33 1au9 s ILE 175 Cb -0.12 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 1au9 s ILE 175 CO 0.09 -0.08 0.24 0.00 0.00 0.00 0.00 174.94 175.19 1au9 s ALA 176 N 2.82 3.57 -0.18 9.38 0.00 -1.26 -0.85 121.76 135.24 1au9 s ALA 176 Ca 0.36 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 1au9 s ALA 176 Cb -0.15 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.48 1au9 s ALA 176 CO 0.08 -0.39 -0.10 0.08 0.00 0.00 0.00 175.76 175.43 1au9 s VAL 177 N 1.47 3.07 0.48 0.00 1.01 -0.41 -1.55 120.40 124.47 1au9 s VAL 177 Ca 0.10 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1au9 s VAL 177 Cb -0.15 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.91 1au9 s VAL 177 CO 0.08 0.48 0.66 -0.83 0.00 0.00 0.00 175.10 175.48 1au9 s GLY 178 N 1.06 1.89 -0.05 4.51 0.00 -0.20 -1.38 107.32 113.15 1au9 s GLY 178 Ca -0.00 -1.63 0.04 0.00 0.00 0.00 0.00 44.72 43.13 1au9 s GLY 178 CO -0.02 -1.38 -0.17 0.00 0.00 0.00 0.00 173.10 171.53 1au9 s ALA 179 N -2.51 2.55 0.37 3.20 0.00 -1.26 -1.72 121.76 122.39 1au9 s ALA 179 Ca 0.57 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.61 1au9 s ALA 179 Cb -0.10 -0.91 -0.06 0.00 0.00 0.00 0.00 23.12 22.06 1au9 s ALA 179 CO 0.35 0.51 0.05 0.14 0.00 0.00 0.00 175.76 176.82 1au9 s VAL 180 N -0.58 2.43 0.10 0.00 -7.23 -0.64 -1.43 120.40 113.06 1au9 s VAL 180 Ca 0.08 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1au9 s VAL 180 Cb -0.11 -2.88 0.02 0.00 0.56 0.00 0.00 36.38 33.97 1au9 s VAL 180 CO 0.01 -0.12 0.14 -0.90 -0.31 0.00 0.00 175.10 173.92 1au9 n ASP 181 N -1.03 0.21 0.29 4.85 5.68 -0.13 -1.16 116.55 125.25 1au9 n ASP 181 Ca -0.04 -1.17 0.18 0.00 -0.50 0.00 0.00 54.79 53.27 1au9 n ASP 181 Cb 0.64 -0.09 0.77 0.00 -1.14 0.00 0.00 41.12 41.30 1au9 n ASP 181 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1au9 h SER 182 N -0.07 0.00 -0.32 -1.12 4.64 -1.89 -1.87 113.55 112.92 1au9 h SER 182 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1au9 h SER 182 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1au9 h SER 182 CO 0.05 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 174.48 1au9 n SER 183 N -3.11 2.29 -0.09 4.97 3.41 -1.26 -4.93 113.62 114.90 1au9 n SER 183 Ca -0.00 -1.87 -0.01 0.00 -0.26 0.00 0.00 58.87 56.72 1au9 n SER 183 Cb 0.27 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 1au9 n SER 183 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1au9 n ASN 184 N 0.74 -3.81 -4.79 4.04 3.02 -0.70 -5.01 115.26 108.75 1au9 n ASN 184 Ca 0.16 0.03 -0.39 0.00 -0.03 0.00 0.00 54.58 54.36 1au9 n ASN 184 Cb 0.40 -1.41 -0.06 0.00 -0.61 0.00 0.00 39.78 38.10 1au9 n ASN 184 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1au9 s GLN 185 N -0.96 4.49 0.33 3.52 2.00 -1.26 -4.80 119.66 122.98 1au9 s GLN 185 Ca 0.00 1.09 -0.29 0.00 -2.00 0.00 0.00 55.36 54.16 1au9 s GLN 185 Cb 0.00 -3.17 -0.10 0.00 0.80 0.00 0.00 33.01 30.53 1au9 s GLN 185 CO 0.00 0.53 1.40 0.50 -0.50 0.00 0.00 175.29 177.22 1au9 s ARG 186 N -1.34 4.26 0.32 1.67 3.52 -1.26 -0.96 118.95 125.16 1au9 s ARG 186 Ca 0.37 2.35 -0.28 0.00 -0.13 0.00 0.00 55.73 58.05 1au9 s ARG 186 Cb -0.22 -3.04 -0.09 0.00 -1.56 0.00 0.00 34.95 30.04 1au9 s ARG 186 CO 0.25 -0.35 1.11 0.00 -0.81 0.00 0.00 175.30 175.50 1au9 s ALA 187 N -0.89 3.32 0.55 6.12 0.00 -0.51 -4.86 121.76 125.50 1au9 s ALA 187 Ca 0.52 0.89 0.23 0.00 0.00 0.00 0.00 51.96 53.61 1au9 s ALA 187 Cb -0.42 -3.33 1.49 0.00 0.00 0.00 0.00 23.12 20.86 1au9 s ALA 187 CO 0.54 -0.24 2.15 0.66 0.00 0.00 0.00 175.76 178.87 1au9 h SER 188 N 3.41 0.00 1.84 0.00 4.64 -1.93 -1.48 113.55 120.03 1au9 h SER 188 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1au9 h SER 188 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1au9 h SER 188 CO 0.65 0.00 -0.10 2.19 -0.87 0.00 0.00 176.83 178.70 1au9 h PHE 189 N 0.00 0.00 -2.64 4.77 -5.15 -1.91 -3.39 116.94 108.61 1au9 h PHE 189 Ca 0.05 0.00 -0.52 0.00 -0.20 0.00 0.00 57.97 57.29 1au9 h PHE 189 Cb 0.21 0.00 0.04 0.00 0.22 0.00 0.00 35.95 36.42 1au9 h PHE 189 CO 0.00 0.00 1.03 0.45 -2.00 0.00 0.00 178.31 177.79 1au9 s SER 190 N -5.94 6.46 0.73 -0.68 0.15 -0.56 -1.17 113.70 112.69 1au9 s SER 190 Ca 0.07 2.74 -0.15 0.00 0.70 0.00 0.00 55.95 59.30 1au9 s SER 190 Cb 0.06 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.83 1au9 s SER 190 CO 0.67 -0.95 1.22 -0.44 1.20 0.00 0.00 173.24 174.94 1au9 s SER 191 N 1.92 4.14 0.15 5.45 0.01 -0.74 -3.77 113.70 120.85 1au9 s SER 191 Ca 0.76 2.39 0.05 0.00 1.31 0.00 0.00 55.95 60.47 1au9 s SER 191 Cb -0.46 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.14 1au9 s SER 191 CO 0.34 -2.30 -0.12 0.68 0.41 0.00 0.00 173.24 172.24 1au9 s VAL 192 N -1.94 1.28 0.00 3.43 -7.23 -1.25 -4.88 120.40 109.81 1au9 s VAL 192 Ca 0.75 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 1au9 s VAL 192 Cb -0.30 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 34.89 1au9 s VAL 192 CO 0.45 -0.62 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 1au9 n GLY 193 N 0.03 2.65 0.26 2.32 0.00 0.21 0.26 105.19 110.91 1au9 n GLY 193 Ca -0.12 -1.35 0.17 0.00 0.00 0.00 0.00 46.02 44.72 1au9 n GLY 193 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1au9 h PRO 194 N 0.00 0.00 -0.00 1.61 0.13 -1.87 -2.06 132.00 129.80 1au9 h PRO 194 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1au9 h PRO 194 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1au9 h PRO 194 CO 0.00 0.00 -0.10 0.39 -0.23 0.00 0.00 178.00 178.06 1au9 n GLU 195 N -2.83 0.61 -2.34 0.86 4.71 -1.26 -4.82 120.64 115.57 1au9 n GLU 195 Ca -0.01 -0.17 -0.42 0.00 -0.01 0.00 0.00 57.16 56.55 1au9 n GLU 195 Cb 0.19 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.09 1au9 n GLU 195 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1au9 s LEU 196 N -2.52 4.35 -0.20 -4.62 2.96 -0.78 -4.52 118.68 113.37 1au9 s LEU 196 Ca 0.28 2.08 -0.15 0.00 -0.22 0.00 0.00 54.13 56.12 1au9 s LEU 196 Cb 0.20 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.22 1au9 s LEU 196 CO 0.48 -0.56 -0.20 0.47 -1.32 0.00 0.00 176.35 175.23 1au9 n ASP 197 N 4.23 1.89 -4.08 3.68 8.00 -0.59 -4.36 116.55 125.32 1au9 n ASP 197 Ca 0.10 0.43 -0.12 0.00 0.71 0.00 0.00 54.79 55.91 1au9 n ASP 197 Cb 0.45 -0.84 -0.09 0.00 -0.02 0.00 0.00 41.12 40.62 1au9 n ASP 197 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1au9 s VAL 198 N -2.53 0.00 0.19 2.53 -7.23 -0.75 -0.40 120.40 112.21 1au9 s VAL 198 Ca -0.27 -1.90 0.11 0.00 -1.81 0.00 0.00 61.98 58.11 1au9 s VAL 198 Cb 0.06 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1au9 s VAL 198 CO 0.42 0.00 -0.23 -0.04 -0.31 0.00 0.00 175.10 174.94 1au9 s MET 199 N -4.05 1.48 0.15 4.82 -1.94 0.29 -1.03 119.30 119.01 1au9 s MET 199 Ca 0.36 -1.51 -0.16 0.00 -1.71 0.00 0.00 55.69 52.67 1au9 s MET 199 Cb 0.05 -1.75 0.03 0.00 2.01 0.00 0.00 34.83 35.18 1au9 s MET 199 CO 0.13 0.37 0.44 0.00 -0.01 0.00 0.00 175.02 175.95 1au9 s ALA 200 N -1.76 -0.92 0.21 3.03 0.00 -0.70 -2.54 121.76 119.08 1au9 s ALA 200 Ca 0.20 -0.10 -0.32 0.00 0.00 0.00 0.00 51.96 51.73 1au9 s ALA 200 Cb -0.07 0.75 -0.13 0.00 0.00 0.00 0.00 23.12 23.66 1au9 s ALA 200 CO 0.09 -0.69 1.51 -2.30 0.00 0.00 0.00 175.76 174.37 1au9 n PRO 201 N -0.26 2.16 -0.01 0.00 -0.02 -1.26 -1.62 135.00 133.99 1au9 n PRO 201 Ca -0.14 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1au9 n PRO 201 Cb 0.63 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1au9 n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1au9 n GLY 202 N 2.78 -1.93 3.37 -1.23 0.00 -0.31 -3.37 105.19 104.51 1au9 n GLY 202 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1au9 n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1au9 s VAL 203 N 0.00 2.85 -1.28 1.61 1.01 -1.24 0.10 120.40 123.45 1au9 s VAL 203 Ca 0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 1au9 s VAL 203 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1au9 s VAL 203 CO 0.00 0.55 0.58 -1.20 0.00 0.00 0.00 175.10 175.03 1au9 n SER 204 N 3.12 -2.72 -4.64 3.32 7.64 -1.17 -4.86 113.62 114.30 1au9 n SER 204 Ca -0.18 -1.07 -0.40 0.00 1.01 0.00 0.00 58.87 58.23 1au9 n SER 204 Cb 0.52 -2.91 -0.06 0.00 -1.01 0.00 0.00 64.21 60.76 1au9 n SER 204 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1au9 s ILE 205 N -3.73 4.98 0.03 0.44 -1.09 0.81 -4.76 121.20 117.88 1au9 s ILE 205 Ca 0.26 1.22 -0.26 0.00 -2.23 0.00 0.00 60.65 59.63 1au9 s ILE 205 Cb -0.10 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 36.76 1au9 s ILE 205 CO 0.90 0.06 0.82 0.00 -1.23 0.00 0.00 174.94 175.48 1au9 n SER 207 N 3.12 -1.56 -4.77 0.00 2.88 -0.61 -4.84 113.62 107.85 1au9 n SER 207 Ca -0.00 -2.21 -0.38 0.00 -1.33 0.00 0.00 58.87 54.95 1au9 n SER 207 Cb 0.50 2.63 -0.02 0.00 -0.75 0.00 0.00 64.21 66.57 1au9 n SER 207 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1au9 s THR 208 N -2.41 3.16 0.19 2.46 -4.23 -1.26 -1.61 115.64 111.93 1au9 s THR 208 Ca 0.13 0.97 0.07 0.00 -1.18 0.00 0.00 61.69 61.69 1au9 s THR 208 Cb -0.03 -3.54 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 1au9 s THR 208 CO 0.10 0.08 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.35 1au9 s LEU 209 N -2.52 2.52 0.72 4.79 1.43 -0.26 -2.41 118.68 122.94 1au9 s LEU 209 Ca 0.57 -0.97 -0.16 0.00 -1.03 0.00 0.00 54.13 52.55 1au9 s LEU 209 Cb -0.30 -0.66 0.03 0.00 0.03 0.00 0.00 46.19 45.28 1au9 s LEU 209 CO 0.38 -0.16 1.22 -2.84 0.23 0.00 0.00 176.35 175.19 1au9 s PRO 210 N -3.41 2.20 -0.18 1.29 0.02 -1.26 -2.42 135.00 131.24 1au9 s PRO 210 Ca 0.20 1.81 -0.01 0.00 0.02 0.00 0.00 61.00 63.02 1au9 s PRO 210 Cb -0.02 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1au9 s PRO 210 CO 0.06 -1.80 0.16 0.41 -0.33 0.00 0.00 177.00 175.50 1au9 n GLY 211 N 0.49 0.75 3.90 0.52 0.00 -1.26 -4.06 105.19 105.53 1au9 n GLY 211 Ca 0.14 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 1au9 n GLY 211 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1au9 n ASN 212 N 0.91 -1.72 -4.41 1.61 5.15 -1.25 -4.97 115.26 110.58 1au9 n ASN 212 Ca 0.00 -1.03 -0.27 0.00 -0.60 0.00 0.00 54.58 52.68 1au9 n ASN 212 Cb 0.51 -3.05 -0.09 0.00 -0.53 0.00 0.00 39.78 36.62 1au9 n ASN 212 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1au9 s LYS 213 N -6.47 1.96 -0.05 1.20 1.02 -1.02 -5.02 119.74 111.37 1au9 s LYS 213 Ca 0.14 -2.19 -0.13 0.00 0.02 0.00 0.00 55.97 53.82 1au9 s LYS 213 Cb -0.06 -1.01 0.02 0.00 -0.52 0.00 0.00 37.83 36.27 1au9 s LYS 213 CO 0.89 -0.36 0.29 0.71 -0.92 0.00 0.00 175.35 175.97 1au9 s TYR 214 N -3.09 -0.22 0.07 3.18 2.02 -1.26 -1.10 117.35 116.95 1au9 s TYR 214 Ca 0.22 0.44 -0.27 0.00 -0.37 0.00 0.00 57.07 57.09 1au9 s TYR 214 Cb 0.04 0.09 0.08 0.00 -0.40 0.00 0.00 41.96 41.77 1au9 s TYR 214 CO 0.12 -0.30 0.95 0.20 -1.57 0.00 0.00 175.55 174.95 1au9 s GLY 215 N -0.78 -0.34 0.06 0.71 0.00 -0.63 -4.85 107.32 101.48 1au9 s GLY 215 Ca -0.09 0.56 -0.03 0.00 0.00 0.00 0.00 44.72 45.16 1au9 s GLY 215 CO 0.03 0.16 0.26 0.00 0.00 0.00 0.00 173.10 173.55 1au9 s ALA 216 N -3.15 3.91 0.02 3.20 0.00 -1.26 -1.57 121.76 122.90 1au9 s ALA 216 Ca 0.09 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 1au9 s ALA 216 Cb -0.01 -1.97 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 1au9 s ALA 216 CO -0.03 0.73 0.07 0.15 0.00 0.00 0.00 175.76 176.69 1au9 s LYS 217 N -2.28 0.47 0.04 0.00 1.02 -0.86 -4.85 119.74 113.28 1au9 s LYS 217 Ca 0.34 -0.59 0.08 0.00 0.02 0.00 0.00 55.97 55.82 1au9 s LYS 217 Cb -0.13 0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.34 1au9 s LYS 217 CO 0.23 -0.11 -0.23 -1.12 -0.92 0.00 0.00 175.35 173.21 1au9 s SER 218 N -1.67 2.70 0.00 2.83 0.01 -1.26 -0.13 113.70 116.17 1au9 s SER 218 Ca -0.12 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1au9 s SER 218 Cb -0.06 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1au9 s SER 218 CO -0.01 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1au9 n GLY 219 N 1.90 3.03 0.20 3.44 0.00 0.11 -4.88 105.19 109.00 1au9 n GLY 219 Ca -0.17 -1.23 0.14 0.00 0.00 0.00 0.00 46.02 44.77 1au9 n GLY 219 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1au9 h THR 220 N 1.00 0.00 -0.41 2.61 1.35 -1.83 -1.84 112.91 113.79 1au9 h THR 220 Ca 0.00 -0.41 0.01 0.00 -0.55 0.00 0.00 66.41 65.46 1au9 h THR 220 Cb 0.00 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 67.70 1au9 h THR 220 CO 0.00 0.00 0.27 0.28 -0.25 0.00 0.00 175.52 175.82 1au9 h SER 221 N 0.00 0.46 1.51 5.36 0.02 -1.90 -2.21 113.55 116.79 1au9 h SER 221 Ca 0.00 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1au9 h SER 221 Cb 0.49 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1au9 h SER 221 CO 0.00 0.33 -0.51 0.24 -1.14 0.00 0.00 176.83 175.75 1au9 h MET 222 N 0.54 0.00 -0.01 3.45 2.86 -1.66 -3.36 114.93 116.76 1au9 h MET 222 Ca 0.15 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1au9 h MET 222 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1au9 h MET 222 CO -0.03 0.30 -0.16 0.00 1.06 0.00 0.00 176.91 178.08 1au9 h ALA 223 N 1.67 0.03 -0.70 6.32 0.00 -1.31 -3.38 119.26 121.89 1au9 h ALA 223 Ca -0.02 -0.42 0.15 0.00 0.00 0.00 0.00 54.91 54.62 1au9 h ALA 223 Cb 1.27 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 1au9 h ALA 223 CO 0.04 0.01 0.05 1.03 0.00 0.00 0.00 179.25 180.38 1au9 h SER 224 N -0.56 -0.22 0.69 0.00 0.87 -1.56 -0.71 113.55 112.06 1au9 h SER 224 Ca -0.02 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1au9 h SER 224 Cb 0.89 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1au9 h SER 224 CO 0.03 -0.12 0.00 1.55 -0.53 0.00 0.00 176.83 177.76 1au9 h PRO 225 N 0.15 0.00 -0.52 2.24 0.13 -1.75 0.15 132.00 132.41 1au9 h PRO 225 Ca 0.38 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.40 1au9 h PRO 225 Cb 0.66 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 1au9 h PRO 225 CO -0.58 0.00 -0.14 0.45 -0.23 0.00 0.00 178.00 177.51 1au9 h HIS 226 N 0.00 1.11 -0.11 1.56 3.86 -1.31 -0.84 115.15 119.43 1au9 h HIS 226 Ca 0.00 -0.24 -0.23 0.00 -1.16 0.00 0.00 60.37 58.74 1au9 h HIS 226 Cb 0.34 -0.27 0.01 0.00 1.06 0.00 0.00 27.41 28.56 1au9 h HIS 226 CO 0.00 1.05 -0.83 0.28 0.86 0.00 0.00 177.93 179.28 1au9 h VAL 227 N 0.87 1.28 -0.08 2.45 2.07 -0.74 -1.79 116.25 120.32 1au9 h VAL 227 Ca 0.13 -2.04 0.02 0.00 0.82 0.00 0.00 66.70 65.64 1au9 h VAL 227 Cb 0.70 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 1au9 h VAL 227 CO 0.05 0.64 -0.07 0.00 0.02 0.00 0.00 177.57 178.21 1au9 h ALA 228 N 0.50 -0.01 -0.80 1.67 0.00 -1.10 -1.68 119.26 117.84 1au9 h ALA 228 Ca -0.07 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1au9 h ALA 228 Cb 1.47 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 1au9 h ALA 228 CO 0.17 -0.54 0.49 0.78 0.00 0.00 0.00 179.25 180.15 1au9 h GLY 229 N -0.09 1.15 1.09 0.00 0.00 -1.21 -2.53 103.07 101.47 1au9 h GLY 229 Ca 0.06 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1au9 h GLY 229 CO -0.13 0.45 0.33 0.00 0.00 0.00 0.00 176.54 177.18 1au9 h ALA 230 N 1.45 1.10 -0.71 3.60 0.00 -0.83 -1.58 119.26 122.29 1au9 h ALA 230 Ca 0.29 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1au9 h ALA 230 Cb -0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1au9 h ALA 230 CO -0.06 0.65 0.22 0.00 0.00 0.00 0.00 179.25 180.07 1au9 h ALA 231 N 1.22 1.04 -0.47 0.00 0.00 -1.16 -1.67 119.26 118.23 1au9 h ALA 231 Ca 0.26 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1au9 h ALA 231 Cb 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1au9 h ALA 231 CO -0.03 0.65 -0.13 0.00 0.00 0.00 0.00 179.25 179.74 1au9 h ALA 232 N 1.18 0.88 -0.25 0.00 0.00 -0.98 -1.34 119.26 118.75 1au9 h ALA 232 Ca 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1au9 h ALA 232 Cb 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1au9 h ALA 232 CO -0.01 0.64 0.11 -0.07 0.00 0.00 0.00 179.25 179.91 1au9 h LEU 233 N 0.78 0.35 -0.22 0.00 3.38 -1.00 -1.98 115.31 116.62 1au9 h LEU 233 Ca 0.12 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1au9 h LEU 233 Cb 0.66 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1au9 h LEU 233 CO 0.05 0.41 0.02 0.40 0.09 0.00 0.00 178.44 179.40 1au9 h ILE 234 N 0.26 0.87 0.00 1.22 2.04 -1.10 -2.15 117.51 118.65 1au9 h ILE 234 Ca 0.08 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1au9 h ILE 234 Cb 0.17 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1au9 h ILE 234 CO -0.01 0.02 -0.09 -0.07 0.00 0.00 0.00 178.15 178.00 1au9 h LEU 235 N 0.09 0.00 -0.58 1.44 3.38 -1.15 0.26 115.31 118.74 1au9 h LEU 235 Ca 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1au9 h LEU 235 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1au9 h LEU 235 CO -0.16 0.09 -0.59 0.77 0.09 0.00 0.00 178.44 178.64 1au9 h SER 236 N 0.00 0.00 0.34 -0.43 4.64 -0.73 -2.54 113.55 114.83 1au9 h SER 236 Ca -0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.99 1au9 h SER 236 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1au9 h SER 236 CO 0.01 0.59 -1.68 0.50 -0.87 0.00 0.00 176.83 175.37 1au9 h LYS 237 N 0.00 0.25 -2.54 4.77 3.64 -0.86 -3.42 116.57 118.41 1au9 h LYS 237 Ca -0.01 -0.43 -0.60 0.00 -1.27 0.00 0.00 60.65 58.34 1au9 h LYS 237 Cb 1.19 0.16 -0.40 0.00 -0.41 0.00 0.00 32.23 32.77 1au9 h LYS 237 CO 0.08 1.11 -0.83 0.72 -2.27 0.00 0.00 179.45 178.25 1au9 n HIS 238 N -3.44 0.81 0.31 1.91 8.25 0.82 -4.96 115.22 118.91 1au9 n HIS 238 Ca -0.21 -3.72 0.20 0.00 -0.26 0.00 0.00 57.72 53.73 1au9 n HIS 238 Cb 1.05 -0.15 1.02 0.00 1.12 0.00 0.00 29.99 33.03 1au9 n HIS 238 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1au9 h PRO 239 N 5.26 0.00 -0.07 -0.41 0.13 -1.71 -2.02 132.00 133.17 1au9 h PRO 239 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1au9 h PRO 239 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1au9 h PRO 239 CO 0.53 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.39 1au9 n ASN 240 N -2.95 2.60 -4.77 1.44 3.02 -1.26 -4.93 115.26 108.41 1au9 n ASN 240 Ca -0.02 -1.86 -0.38 0.00 -0.03 0.00 0.00 54.58 52.30 1au9 n ASN 240 Cb 0.12 -0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 1au9 n ASN 240 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1au9 s TRP 241 N -1.93 2.87 0.70 3.10 0.52 -0.76 -5.02 118.94 118.43 1au9 s TRP 241 Ca 0.32 1.51 -0.08 0.00 0.02 0.00 0.00 56.10 57.87 1au9 s TRP 241 Cb 0.20 -3.45 0.05 0.00 -1.15 0.00 0.00 33.47 29.12 1au9 s TRP 241 CO 0.31 -1.63 1.04 0.95 0.02 0.00 0.00 176.95 177.64 1au9 s THR 242 N -1.46 2.72 0.40 2.01 -4.23 -1.26 -4.89 115.64 108.93 1au9 s THR 242 Ca 0.62 -0.03 0.08 0.00 -1.18 0.00 0.00 61.69 61.18 1au9 s THR 242 Cb -0.31 -3.18 0.28 0.00 1.34 0.00 0.00 72.50 70.63 1au9 s THR 242 CO 0.38 -0.21 2.01 -0.55 -0.54 0.00 0.00 174.62 175.72 1au9 h ASN 243 N -0.61 0.53 -0.54 3.99 -1.07 -1.92 -1.31 115.58 114.64 1au9 h ASN 243 Ca -0.45 -0.01 -0.03 0.00 0.07 0.00 0.00 56.30 55.88 1au9 h ASN 243 Cb 1.30 -0.12 -0.02 0.00 -2.07 0.00 0.00 38.32 37.40 1au9 h ASN 243 CO 0.62 0.36 0.20 0.74 0.07 0.00 0.00 177.43 179.43 1au9 h THR 244 N 0.61 1.22 -0.50 6.14 2.02 -1.93 -1.18 112.91 119.29 1au9 h THR 244 Ca 0.22 -0.72 -0.07 0.00 0.77 0.00 0.00 66.41 66.62 1au9 h THR 244 Cb 0.13 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1au9 h THR 244 CO -0.06 0.27 0.05 1.56 0.37 0.00 0.00 175.52 177.71 1au9 h GLN 245 N 0.74 0.86 -0.00 6.66 4.20 -1.71 -0.08 115.11 125.77 1au9 h GLN 245 Ca 0.18 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1au9 h GLN 245 Cb 0.22 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1au9 h GLN 245 CO -0.01 0.87 0.00 0.28 -0.67 0.00 0.00 178.83 179.30 1au9 h VAL 246 N 0.73 1.08 -0.12 -0.54 2.07 -1.04 -1.60 116.25 116.82 1au9 h VAL 246 Ca 0.15 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1au9 h VAL 246 Cb 0.45 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1au9 h VAL 246 CO 0.02 0.06 -0.09 -0.09 0.02 0.00 0.00 177.57 177.48 1au9 h ARG 247 N -0.09 -0.10 -0.90 1.57 2.43 -1.09 -1.56 114.38 114.64 1au9 h ARG 247 Ca 0.00 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1au9 h ARG 247 Cb 0.09 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 1au9 h ARG 247 CO -0.00 -0.07 0.59 1.03 -1.51 0.00 0.00 179.97 180.01 1au9 h SER 248 N -0.10 1.01 -0.59 -3.80 0.87 -0.89 -1.06 113.55 108.99 1au9 h SER 248 Ca 0.08 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1au9 h SER 248 Cb 0.22 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 1au9 h SER 248 CO -0.19 0.71 0.21 -1.28 -0.53 0.00 0.00 176.83 175.76 1au9 h SER 249 N 1.18 0.83 -0.43 6.23 0.87 -1.10 0.34 113.55 121.47 1au9 h SER 249 Ca 0.34 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1au9 h SER 249 Cb -0.08 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 1au9 h SER 249 CO -0.09 0.79 0.17 -0.07 -0.53 0.00 0.00 176.83 177.10 1au9 h LEU 250 N 0.82 0.59 -0.54 2.23 3.38 -0.89 -2.59 115.31 118.30 1au9 h LEU 250 Ca 0.19 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1au9 h LEU 250 Cb 0.24 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1au9 h LEU 250 CO -0.01 0.60 -0.57 -0.33 0.09 0.00 0.00 178.44 178.22 1au9 h GLU 251 N 0.54 0.48 0.00 1.13 5.08 -0.87 -3.29 114.58 117.65 1au9 h GLU 251 Ca 0.14 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1au9 h GLU 251 Cb 0.19 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1au9 h GLU 251 CO -0.01 0.92 0.00 0.09 -1.00 0.00 0.00 179.01 179.01 1au9 n ASN 252 N -3.94 0.29 -0.08 1.42 3.02 0.12 -3.93 115.26 112.16 1au9 n ASN 252 Ca -0.03 0.54 0.07 0.00 -0.03 0.00 0.00 54.58 55.13 1au9 n ASN 252 Cb 0.61 -0.62 0.10 0.00 -0.61 0.00 0.00 39.78 39.26 1au9 n ASN 252 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1au9 n THR 253 N -1.79 1.51 -1.04 3.41 -2.24 -0.99 -5.05 114.28 108.10 1au9 n THR 253 Ca 0.05 -1.77 -0.32 0.00 -2.27 0.00 0.00 64.05 59.74 1au9 n THR 253 Cb 0.31 0.01 0.13 0.00 -2.10 0.00 0.00 70.33 68.67 1au9 n THR 253 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1au9 s THR 254 N -2.19 2.52 -0.29 4.28 -4.23 -1.25 -4.44 115.64 110.05 1au9 s THR 254 Ca 0.22 0.19 -0.23 0.00 -1.18 0.00 0.00 61.69 60.69 1au9 s THR 254 Cb 0.19 -2.46 -0.00 0.00 1.34 0.00 0.00 72.50 71.56 1au9 s THR 254 CO 0.02 -0.20 0.75 -0.89 -0.54 0.00 0.00 174.62 173.76 1au9 s THR 255 N -2.59 4.85 0.26 3.99 2.01 0.06 -4.90 115.64 119.32 1au9 s THR 255 Ca 0.67 1.20 -0.29 0.00 0.31 0.00 0.00 61.69 63.58 1au9 s THR 255 Cb -0.22 -4.09 -0.09 0.00 0.01 0.00 0.00 72.50 68.10 1au9 s THR 255 CO 0.54 -0.16 1.20 -0.54 -0.69 0.00 0.00 174.62 174.97 1au9 s LYS 256 N 2.82 4.50 0.00 4.92 1.02 -1.26 -1.08 119.74 130.67 1au9 s LYS 256 Ca 0.31 1.96 0.00 0.00 0.02 0.00 0.00 55.97 58.26 1au9 s LYS 256 Cb -0.15 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 1au9 s LYS 256 CO 0.11 -0.02 0.00 1.28 -0.92 0.00 0.00 175.35 175.80 1au9 n LEU 257 N 1.59 0.00 0.00 3.17 4.77 -1.26 -4.91 117.00 120.36 1au9 n LEU 257 Ca 0.01 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1au9 n LEU 257 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1au9 n LEU 257 CO 0.56 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1au9 n GLY 258 N 1.79 -0.84 3.77 -0.72 0.00 -1.26 -5.08 105.19 102.86 1au9 n GLY 258 Ca 0.00 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 1au9 n GLY 258 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1au9 s ASP 259 N -4.00 6.12 0.63 1.61 2.15 -1.26 -4.69 116.67 117.23 1au9 s ASP 259 Ca 0.00 2.97 0.38 0.00 0.43 0.00 0.00 52.55 56.33 1au9 s ASP 259 Cb 0.00 -2.66 2.11 0.00 -0.30 0.00 0.00 42.92 42.07 1au9 s ASP 259 CO 0.00 -1.02 2.29 0.77 -0.17 0.00 0.00 175.17 177.04 1au9 h SER 260 N 2.66 0.00 0.39 -0.34 4.64 -1.92 0.10 113.55 119.09 1au9 h SER 260 Ca -0.51 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.75 1au9 h SER 260 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1au9 h SER 260 CO 0.63 0.01 -0.31 0.15 -0.87 0.00 0.00 176.83 176.43 1au9 h PHE 261 N 0.00 0.00 0.00 4.77 3.04 -1.86 0.83 116.94 123.72 1au9 h PHE 261 Ca -0.00 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.66 1au9 h PHE 261 Cb 0.07 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.52 1au9 h PHE 261 CO 0.00 0.31 -2.09 0.66 -2.02 0.00 0.00 178.31 175.17 1au9 n TYR 262 N -4.02 0.00 0.07 0.41 4.01 -0.18 -0.62 117.16 116.83 1au9 n TYR 262 Ca -0.02 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.73 1au9 n TYR 262 Cb 0.37 -0.78 0.00 0.00 -0.31 0.00 0.00 39.34 38.62 1au9 n TYR 262 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1au9 n TYR 263 N -2.60 0.00 -4.73 -0.72 4.01 0.18 -4.95 117.16 108.36 1au9 n TYR 263 Ca -0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1au9 n TYR 263 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 1au9 n TYR 263 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1au9 n GLY 264 N 0.24 2.73 0.05 2.72 0.00 0.28 -1.05 105.19 110.17 1au9 n GLY 264 Ca 0.01 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.76 1au9 n GLY 264 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1au9 n LYS 265 N 12.59 0.10 0.00 1.61 4.01 0.46 -3.95 118.16 132.97 1au9 n LYS 265 Ca 0.00 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 58.02 1au9 n LYS 265 Cb 0.00 -1.65 0.00 0.00 -0.51 0.00 0.00 35.03 32.87 1au9 n LYS 265 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1au9 n GLY 266 N 0.68 0.23 3.70 0.72 0.00 -0.21 -4.29 105.19 106.02 1au9 n GLY 266 Ca 0.05 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.39 1au9 n GLY 266 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1au9 s LEU 267 N 0.00 4.30 0.60 0.99 2.96 -0.24 -0.55 118.68 126.74 1au9 s LEU 267 Ca 0.00 1.36 -0.19 0.00 -0.22 0.00 0.00 54.13 55.08 1au9 s LEU 267 Cb 0.00 -3.31 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 1au9 s LEU 267 CO 0.00 -0.24 1.27 0.27 -1.32 0.00 0.00 176.35 176.33 1au9 s ILE 268 N 1.23 2.28 -0.29 6.68 -4.36 -1.05 -0.76 121.20 124.92 1au9 s ILE 268 Ca 0.43 0.18 -0.02 0.00 -0.26 0.00 0.00 60.65 60.98 1au9 s ILE 268 Cb -0.19 -3.08 0.10 0.00 1.25 0.00 0.00 42.46 40.54 1au9 s ILE 268 CO 0.20 -0.03 0.10 0.21 0.24 0.00 0.00 174.94 175.66 1au9 s ASN 269 N -1.37 3.78 0.32 4.36 3.84 -1.26 -4.60 114.94 120.01 1au9 s ASN 269 Ca 0.78 -1.46 0.14 0.00 0.21 0.00 0.00 52.86 52.54 1au9 s ASN 269 Cb -0.35 -0.71 0.49 0.00 -0.55 0.00 0.00 41.25 40.13 1au9 s ASN 269 CO 0.39 -0.41 1.66 1.62 -2.79 0.00 0.00 177.10 177.57 1au9 h VAL 270 N 6.47 1.18 -0.17 -5.21 3.04 -1.15 -0.95 116.25 119.46 1au9 h VAL 270 Ca -0.15 -1.86 -0.01 0.00 -1.01 0.00 0.00 66.70 63.67 1au9 h VAL 270 Cb 1.03 2.06 -0.01 0.00 -2.01 0.00 0.00 31.29 32.35 1au9 h VAL 270 CO 0.45 0.50 0.08 -0.61 -1.01 0.00 0.00 177.57 176.98 1au9 h GLN 271 N 0.00 0.24 -0.42 4.17 4.15 -1.75 0.47 115.11 121.98 1au9 h GLN 271 Ca -0.01 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.28 1au9 h GLN 271 Cb 1.01 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 1au9 h GLN 271 CO 0.07 0.28 -0.14 0.00 -1.93 0.00 0.00 178.83 177.10 1au9 h ALA 272 N 0.95 0.58 -0.24 3.38 0.00 -1.84 -3.12 119.26 118.97 1au9 h ALA 272 Ca 0.06 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1au9 h ALA 272 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1au9 h ALA 272 CO -0.01 0.50 -0.05 0.00 0.00 0.00 0.00 179.25 179.69 1au9 h ALA 273 N 0.84 1.47 0.00 0.00 0.00 -1.01 -2.74 119.26 117.82 1au9 h ALA 273 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1au9 h ALA 273 Cb 0.69 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1au9 h ALA 273 CO 0.05 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1au9 n ALA 274 N -2.49 2.12 -0.19 0.00 0.00 0.14 -4.79 120.51 115.31 1au9 n ALA 274 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1au9 n ALA 274 Cb 0.24 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1au9 n ALA 274 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54