#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm8 s GLN 2 N 0.00 4.32 -0.28 2.12 -0.21 -0.30 -4.91 119.66 120.41 1xm8 s GLN 2 Ca 0.00 0.38 -0.06 0.00 0.02 0.00 0.00 55.36 55.70 1xm8 s GLN 2 Cb 0.00 -3.44 0.00 0.00 1.00 0.00 0.00 33.01 30.58 1xm8 s GLN 2 CO 0.00 0.17 0.05 0.42 -2.12 0.00 0.00 175.29 173.82 1xm8 s ILE 3 N 0.60 3.85 -0.26 1.08 1.01 -1.26 -0.94 121.20 125.28 1xm8 s ILE 3 Ca 0.24 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 1xm8 s ILE 3 Cb -0.15 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 1xm8 s ILE 3 CO 0.09 0.16 0.08 -0.70 0.00 0.00 0.00 174.94 174.57 1xm8 s GLU 4 N 1.50 3.61 0.19 2.79 2.12 0.21 -4.96 118.70 124.17 1xm8 s GLU 4 Ca 0.03 -0.51 -0.30 0.00 0.36 0.00 0.00 54.97 54.55 1xm8 s GLU 4 Cb -0.17 -3.36 -0.08 0.00 0.26 0.00 0.00 34.13 30.78 1xm8 s GLU 4 CO 0.01 -0.22 1.19 -0.51 -0.54 0.00 0.00 175.26 175.20 1xm8 s LEU 5 N 1.61 4.45 -0.30 2.70 1.02 -1.26 -1.01 118.68 125.90 1xm8 s LEU 5 Ca 0.06 2.24 0.01 0.00 0.02 0.00 0.00 54.13 56.46 1xm8 s LEU 5 Cb -0.15 -3.61 0.09 0.00 0.02 0.00 0.00 46.19 42.54 1xm8 s LEU 5 CO 0.04 -0.36 0.04 -0.69 0.02 0.00 0.00 176.35 175.40 1xm8 s VAL 6 N -0.14 1.44 0.21 -1.59 1.01 0.00 -4.95 120.40 116.39 1xm8 s VAL 6 Ca 0.52 -1.60 -0.31 0.00 0.00 0.00 0.00 61.98 60.59 1xm8 s VAL 6 Cb -0.33 -1.98 -0.10 0.00 0.00 0.00 0.00 36.38 33.98 1xm8 s VAL 6 CO 0.37 -0.49 1.52 -2.84 0.00 0.00 0.00 175.10 173.66 1xm8 s PRO 7 N 1.36 4.23 0.10 2.72 0.02 -1.26 -1.62 135.00 140.55 1xm8 s PRO 7 Ca 0.06 2.35 0.03 0.00 0.02 0.00 0.00 61.00 63.46 1xm8 s PRO 7 Cb -0.18 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 1xm8 s PRO 7 CO -0.15 -0.54 -0.09 0.00 -0.33 0.00 0.00 177.00 175.89 1xm8 n LEU 9 N 0.31 0.00 0.05 0.00 4.77 -1.26 -1.09 117.00 119.78 1xm8 n LEU 9 Ca -0.14 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.61 1xm8 n LEU 9 Cb 0.59 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.53 1xm8 n LEU 9 CO 0.28 0.00 -0.64 0.50 -1.33 0.00 0.00 177.39 176.20 1xm8 h LYS 10 N 0.00 0.35 0.00 3.23 3.64 -2.02 -3.43 116.57 118.33 1xm8 h LYS 10 Ca 0.00 -0.59 -0.03 0.00 -1.27 0.00 0.00 60.65 58.76 1xm8 h LYS 10 Cb 0.00 0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1xm8 h LYS 10 CO 0.00 1.28 -0.20 -0.40 -2.27 0.00 0.00 179.45 177.86 1xm8 n ASP 11 N -3.55 -0.10 -4.87 4.20 5.68 -1.20 -5.03 116.55 111.68 1xm8 n ASP 11 Ca -0.27 -1.41 -0.31 0.00 -0.50 0.00 0.00 54.79 52.31 1xm8 n ASP 11 Cb 1.07 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 41.00 1xm8 n ASP 11 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1xm8 s ASN 12 N -0.46 6.54 -0.15 -1.12 -0.87 -0.25 -0.62 114.94 118.01 1xm8 s ASN 12 Ca 0.02 1.19 0.02 0.00 -1.57 0.00 0.00 52.86 52.51 1xm8 s ASN 12 Cb 0.02 -2.35 0.01 0.00 -0.02 0.00 0.00 41.25 38.92 1xm8 s ASN 12 CO -0.01 -0.42 -0.20 -0.31 -2.57 0.00 0.00 177.10 173.59 1xm8 s TYR 13 N -2.40 2.60 0.28 2.20 2.02 -0.14 -1.28 117.35 120.64 1xm8 s TYR 13 Ca 0.52 -1.40 -0.01 0.00 -0.37 0.00 0.00 57.07 55.81 1xm8 s TYR 13 Cb -0.10 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.62 1xm8 s TYR 13 CO 0.31 -0.67 0.49 0.00 -1.57 0.00 0.00 175.55 174.11 1xm8 s ALA 14 N 1.04 3.73 -0.11 3.71 0.00 -0.64 -4.72 121.76 124.76 1xm8 s ALA 14 Ca -0.02 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1xm8 s ALA 14 Cb -0.14 -2.11 0.02 0.00 0.00 0.00 0.00 23.12 20.89 1xm8 s ALA 14 CO -0.06 0.21 -0.11 0.71 0.00 0.00 0.00 175.76 176.50 1xm8 s TYR 15 N -2.10 1.70 -0.23 0.00 2.02 -0.54 -0.82 117.35 117.38 1xm8 s TYR 15 Ca 0.40 -0.83 -0.18 0.00 -0.37 0.00 0.00 57.07 56.09 1xm8 s TYR 15 Cb -0.10 -1.31 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 1xm8 s TYR 15 CO 0.32 -0.50 0.50 0.42 -1.57 0.00 0.00 175.55 174.72 1xm8 s ILE 16 N 1.36 5.10 -0.24 2.71 1.01 -0.18 -0.14 121.20 130.81 1xm8 s ILE 16 Ca -0.00 0.88 -0.10 0.00 0.00 0.00 0.00 60.65 61.43 1xm8 s ILE 16 Cb -0.14 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1xm8 s ILE 16 CO -0.06 0.14 0.15 -0.76 0.00 0.00 0.00 174.94 174.41 1xm8 s LEU 17 N 1.94 4.04 -0.24 2.97 1.43 0.13 -0.61 118.68 128.34 1xm8 s LEU 17 Ca 0.22 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1xm8 s LEU 17 Cb -0.15 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.02 1xm8 s LEU 17 CO 0.09 0.05 -0.10 -1.00 0.23 0.00 0.00 176.35 175.62 1xm8 s HIS 18 N 1.12 3.09 0.28 0.29 3.76 -0.12 -1.11 115.29 122.60 1xm8 s HIS 18 Ca 0.07 -1.87 -0.29 0.00 -0.15 0.00 0.00 55.06 52.82 1xm8 s HIS 18 Cb -0.14 -1.99 -0.09 0.00 1.11 0.00 0.00 32.58 31.47 1xm8 s HIS 18 CO 0.05 -0.81 1.08 0.34 -0.85 0.00 0.00 174.74 174.55 1xm8 s ASP 19 N 1.23 7.28 0.00 1.40 2.15 -0.55 -1.15 116.67 127.04 1xm8 s ASP 19 Ca -0.02 2.22 0.00 0.00 0.43 0.00 0.00 52.55 55.17 1xm8 s ASP 19 Cb -0.17 -2.62 -0.26 0.00 -0.30 0.00 0.00 42.92 39.56 1xm8 s ASP 19 CO -0.06 -0.13 0.85 -0.33 -0.17 0.00 0.00 175.17 175.33 1xm8 h GLU 20 N 3.77 0.19 0.02 4.34 5.08 -1.96 -2.58 114.58 123.43 1xm8 h GLU 20 Ca -0.47 -0.32 -0.21 0.00 -1.00 0.00 0.00 59.36 57.37 1xm8 h GLU 20 Cb 1.21 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1xm8 h GLU 20 CO 0.67 1.01 -0.92 0.22 -1.00 0.00 0.00 179.01 178.99 1xm8 h ASP 21 N 0.05 0.25 0.00 1.42 3.58 -1.98 -3.38 116.42 116.35 1xm8 h ASP 21 Ca -0.23 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.01 1xm8 h ASP 21 Cb 1.99 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.96 1xm8 h ASP 21 CO 0.14 1.04 -0.96 0.35 -2.88 0.00 0.00 179.24 176.93 1xm8 n THR 22 N -3.62 0.00 -0.94 2.25 -2.24 -1.26 -4.99 114.28 103.49 1xm8 n THR 22 Ca -0.04 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1xm8 n THR 22 Cb 0.84 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1xm8 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xm8 n GLY 23 N 1.77 0.69 3.74 3.38 0.00 -0.97 -4.97 105.19 108.83 1xm8 n GLY 23 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1xm8 n GLY 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xm8 n THR 24 N -2.26 1.23 -4.87 2.61 -1.04 -1.26 -4.85 114.28 103.84 1xm8 n THR 24 Ca 0.00 -0.31 -0.26 0.00 -2.04 0.00 0.00 64.05 61.44 1xm8 n THR 24 Cb 0.03 -1.91 -0.16 0.00 -1.82 0.00 0.00 70.33 66.47 1xm8 n THR 24 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1xm8 s VAL 25 N -0.25 1.47 0.30 12.58 1.01 -1.26 -1.48 120.40 132.78 1xm8 s VAL 25 Ca 0.62 -0.74 0.11 0.00 0.00 0.00 0.00 61.98 61.96 1xm8 s VAL 25 Cb -0.51 -1.26 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 1xm8 s VAL 25 CO 0.52 0.42 -0.15 -0.83 0.00 0.00 0.00 175.10 175.06 1xm8 s GLY 26 N -0.01 1.99 -0.05 4.51 0.00 -0.27 -0.38 107.32 113.11 1xm8 s GLY 26 Ca -0.03 -1.96 0.02 0.00 0.00 0.00 0.00 44.72 42.75 1xm8 s GLY 26 CO 0.02 -1.98 -0.08 0.54 0.00 0.00 0.00 173.10 171.60 1xm8 s VAL 27 N -2.58 0.81 -0.22 1.40 0.11 -0.19 0.21 120.40 119.94 1xm8 s VAL 27 Ca 0.31 -0.28 -0.14 0.00 -2.93 0.00 0.00 61.98 58.93 1xm8 s VAL 27 Cb -0.02 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1xm8 s VAL 27 CO 0.15 0.28 0.33 -0.69 -3.33 0.00 0.00 175.10 171.84 1xm8 s VAL 28 N 0.80 5.24 -1.10 2.04 1.01 0.80 -0.61 120.40 128.58 1xm8 s VAL 28 Ca -0.13 0.55 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 1xm8 s VAL 28 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1xm8 s VAL 28 CO 0.02 0.27 0.86 0.47 0.00 0.00 0.00 175.10 176.72 1xm8 n ASP 29 N 4.47 -5.74 -4.56 3.32 8.00 -0.00 -1.47 116.55 120.57 1xm8 n ASP 29 Ca -0.10 -0.84 -0.31 0.00 0.71 0.00 0.00 54.79 54.24 1xm8 n ASP 29 Cb 0.51 -4.38 -0.04 0.00 -0.02 0.00 0.00 41.12 37.19 1xm8 n ASP 29 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1xm8 s PRO 30 N -5.16 2.67 0.35 -0.24 0.04 -1.21 -4.17 135.00 127.28 1xm8 s PRO 30 Ca 0.44 -0.12 0.06 0.00 0.04 0.00 0.00 61.00 61.42 1xm8 s PRO 30 Cb -0.10 -4.88 0.72 0.00 0.04 0.00 0.00 34.50 30.27 1xm8 s PRO 30 CO 0.79 -3.08 1.93 0.77 0.04 0.00 0.00 177.00 177.46 1xm8 h SER 31 N 12.10 0.71 -5.00 6.66 0.02 -1.78 0.57 113.55 126.83 1xm8 h SER 31 Ca -0.00 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 1xm8 h SER 31 Cb 1.05 -0.14 -0.20 0.00 0.14 0.00 0.00 62.40 63.25 1xm8 h SER 31 CO 1.23 0.44 -0.32 -1.83 -1.14 0.00 0.00 176.83 175.21 1xm8 s GLU 32 N -5.72 0.65 0.06 3.45 -1.05 -1.26 -3.02 118.70 111.81 1xm8 s GLU 32 Ca -0.10 -0.27 -0.17 0.00 -0.15 0.00 0.00 54.97 54.28 1xm8 s GLU 32 Cb 0.20 0.28 -0.15 0.00 -0.44 0.00 0.00 34.13 34.02 1xm8 s GLU 32 CO 0.78 -0.18 1.29 0.00 0.95 0.00 0.00 175.26 178.11 1xm8 h ALA 33 N 3.87 0.27 -0.38 -0.84 0.00 -1.84 -3.38 119.26 116.96 1xm8 h ALA 33 Ca -0.30 -0.48 0.08 0.00 0.00 0.00 0.00 54.91 54.21 1xm8 h ALA 33 Cb 1.18 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1xm8 h ALA 33 CO 0.41 0.42 -0.13 1.49 0.00 0.00 0.00 179.25 181.44 1xm8 h GLU 34 N 0.25 -0.04 0.00 0.00 4.57 -1.97 -0.92 114.58 116.46 1xm8 h GLU 34 Ca -0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1xm8 h GLU 34 Cb 1.08 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1xm8 h GLU 34 CO 0.10 -0.03 -0.04 -1.35 -1.18 0.00 0.00 179.01 176.51 1xm8 h PRO 35 N -0.05 0.00 -0.09 0.92 0.11 -1.94 0.69 132.00 131.65 1xm8 h PRO 35 Ca 0.19 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.21 1xm8 h PRO 35 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1xm8 h PRO 35 CO -0.42 0.04 -0.30 0.82 -0.21 0.00 0.00 178.00 177.93 1xm8 h ILE 36 N 0.00 1.41 -0.48 4.15 1.08 -1.51 -2.27 117.51 119.89 1xm8 h ILE 36 Ca -0.00 -1.67 0.02 0.00 -0.39 0.00 0.00 64.86 62.83 1xm8 h ILE 36 Cb 0.08 2.25 -0.03 0.00 -3.07 0.00 0.00 36.82 36.04 1xm8 h ILE 36 CO 0.01 0.48 0.28 0.40 -0.69 0.00 0.00 178.15 178.62 1xm8 h ILE 37 N -0.11 1.03 -0.58 -0.67 2.04 -0.61 -0.54 117.51 118.08 1xm8 h ILE 37 Ca -0.01 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1xm8 h ILE 37 Cb 0.93 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1xm8 h ILE 37 CO 0.06 0.10 0.30 0.44 0.00 0.00 0.00 178.15 179.06 1xm8 h ASP 38 N 0.55 0.44 -0.48 1.72 3.32 -0.90 -0.86 116.42 120.21 1xm8 h ASP 38 Ca 0.19 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 1xm8 h ASP 38 Cb 0.03 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1xm8 h ASP 38 CO -0.10 0.29 -0.08 -1.28 -1.72 0.00 0.00 179.24 176.36 1xm8 h SER 39 N 0.57 0.94 -0.23 6.45 0.87 -0.94 -3.05 113.55 118.16 1xm8 h SER 39 Ca 0.26 -0.29 -0.13 0.00 -1.23 0.00 0.00 61.79 60.40 1xm8 h SER 39 Cb 0.16 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1xm8 h SER 39 CO -0.17 1.04 -0.33 -0.07 -0.53 0.00 0.00 176.83 176.77 1xm8 h LEU 40 N 0.86 0.78 -1.05 2.23 3.38 -0.55 -2.49 115.31 118.47 1xm8 h LEU 40 Ca 0.14 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1xm8 h LEU 40 Cb 0.61 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1xm8 h LEU 40 CO 0.04 1.04 0.63 0.11 0.09 0.00 0.00 178.44 180.35 1xm8 h LYS 41 N 0.63 1.26 0.48 1.13 1.79 -1.17 0.33 116.57 121.02 1xm8 h LYS 41 Ca 0.07 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1xm8 h LYS 41 Cb 0.86 -0.28 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1xm8 h LYS 41 CO 0.07 0.84 -0.23 -0.09 -1.08 0.00 0.00 179.45 178.97 1xm8 h ARG 42 N 1.30 -0.62 0.00 3.15 2.43 -1.40 -2.46 114.38 116.78 1xm8 h ARG 42 Ca 0.35 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1xm8 h ARG 42 Cb -0.14 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1xm8 h ARG 42 CO -0.07 -0.33 0.00 -1.13 -1.51 0.00 0.00 179.97 176.92 1xm8 n SER 43 N -5.30 0.22 -2.89 -3.80 3.41 -0.96 -4.87 113.62 99.44 1xm8 n SER 43 Ca -0.11 0.56 -0.18 0.00 -0.26 0.00 0.00 58.87 58.88 1xm8 n SER 43 Cb 0.30 -0.61 0.06 0.00 -0.26 0.00 0.00 64.21 63.71 1xm8 n SER 43 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xm8 n GLY 44 N -0.30 -0.20 3.38 5.00 0.00 0.11 -5.03 105.19 108.16 1xm8 n GLY 44 Ca 0.02 0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1xm8 n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xm8 s ARG 45 N -5.92 1.43 0.22 1.61 0.52 -0.70 -5.03 118.95 111.08 1xm8 s ARG 45 Ca 0.41 -1.67 0.01 0.00 -0.52 0.00 0.00 55.73 53.96 1xm8 s ARG 45 Cb -0.18 -1.16 -0.04 0.00 0.52 0.00 0.00 34.95 34.10 1xm8 s ARG 45 CO 0.56 0.13 0.38 1.21 0.02 0.00 0.00 175.30 177.60 1xm8 s ASN 46 N -3.37 6.35 -0.17 0.23 3.04 -1.26 -4.58 114.94 115.18 1xm8 s ASN 46 Ca 0.26 0.29 -0.14 0.00 0.04 0.00 0.00 52.86 53.30 1xm8 s ASN 46 Cb 0.01 -1.96 -0.05 0.00 -1.54 0.00 0.00 41.25 37.71 1xm8 s ASN 46 CO 0.09 -0.06 0.30 -0.22 -3.04 0.00 0.00 177.10 174.17 1xm8 s LEU 47 N -3.57 4.23 -0.21 3.21 2.96 -1.26 -4.38 118.68 119.65 1xm8 s LEU 47 Ca 0.37 0.49 -0.15 0.00 -0.22 0.00 0.00 54.13 54.62 1xm8 s LEU 47 Cb -0.10 -2.38 -0.19 0.00 0.50 0.00 0.00 46.19 44.02 1xm8 s LEU 47 CO 0.30 0.07 0.07 0.41 -1.32 0.00 0.00 176.35 175.88 1xm8 n THR 48 N 3.71 1.58 -4.29 3.68 -1.04 0.48 -4.20 114.28 114.20 1xm8 n THR 48 Ca -0.11 -0.27 -0.19 0.00 -2.04 0.00 0.00 64.05 61.43 1xm8 n THR 48 Cb 0.52 -1.90 -0.13 0.00 -1.82 0.00 0.00 70.33 67.00 1xm8 n THR 48 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1xm8 s TYR 49 N -2.45 1.13 -0.12 -1.42 2.02 -0.89 -1.36 117.35 114.27 1xm8 s TYR 49 Ca -0.31 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.05 1xm8 s TYR 49 Cb 0.08 -0.67 0.01 0.00 -0.40 0.00 0.00 41.96 40.98 1xm8 s TYR 49 CO 0.60 0.03 -0.22 0.42 -1.57 0.00 0.00 175.55 174.81 1xm8 s ILE 50 N -0.93 1.99 -0.08 2.71 1.01 0.07 -1.03 121.20 124.94 1xm8 s ILE 50 Ca -0.00 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.74 1xm8 s ILE 50 Cb -0.08 -1.74 -0.00 0.00 0.01 0.00 0.00 42.46 40.65 1xm8 s ILE 50 CO 0.01 0.54 -0.22 -0.76 0.00 0.00 0.00 174.94 174.51 1xm8 s LEU 51 N 0.63 2.01 -0.08 2.97 1.02 0.22 -0.15 118.68 125.32 1xm8 s LEU 51 Ca -0.12 -0.50 0.04 0.00 0.02 0.00 0.00 54.13 53.58 1xm8 s LEU 51 Cb -0.16 -1.29 -0.01 0.00 0.02 0.00 0.00 46.19 44.74 1xm8 s LEU 51 CO 0.03 0.17 -0.21 0.20 0.02 0.00 0.00 176.35 176.55 1xm8 s ASN 52 N 0.23 3.40 0.14 2.29 -0.87 -0.84 -0.82 114.94 118.46 1xm8 s ASN 52 Ca -0.13 -0.44 0.04 0.00 -1.57 0.00 0.00 52.86 50.77 1xm8 s ASN 52 Cb -0.16 -1.06 -0.12 0.00 -0.02 0.00 0.00 41.25 39.89 1xm8 s ASN 52 CO 0.06 0.23 1.31 0.71 -2.57 0.00 0.00 177.10 176.85 1xm8 h THR 53 N 5.10 1.60 -2.65 1.60 1.35 -1.89 -3.41 112.91 114.62 1xm8 h THR 53 Ca -0.31 -3.05 0.11 0.00 -0.55 0.00 0.00 66.41 62.61 1xm8 h THR 53 Cb 1.19 2.71 -0.04 0.00 -1.73 0.00 0.00 68.15 70.27 1xm8 h THR 53 CO 0.49 0.88 0.43 -1.38 -0.25 0.00 0.00 175.52 175.69 1xm8 s HIS 54 N -2.91 -0.01 -0.85 4.73 -3.43 -1.26 -0.72 115.29 110.84 1xm8 s HIS 54 Ca -0.01 -0.43 0.25 0.00 -0.80 0.00 0.00 55.06 54.07 1xm8 s HIS 54 Cb 0.10 0.72 0.54 0.00 -1.43 0.00 0.00 32.58 32.50 1xm8 s HIS 54 CO 0.83 -1.09 1.45 -2.39 -2.00 0.00 0.00 174.74 171.54 1xm8 n HIS 55 N -0.56 0.24 -1.65 0.38 -0.00 -1.26 -4.64 115.22 107.73 1xm8 n HIS 55 Ca -0.05 0.07 -0.40 0.00 -0.00 0.00 0.00 57.72 57.34 1xm8 n HIS 55 Cb 0.60 -0.46 0.02 0.00 -0.00 0.00 0.00 29.99 30.15 1xm8 n HIS 55 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1xm8 n HIS 56 N -1.76 1.50 -0.15 -1.40 8.25 -1.26 -4.66 115.22 115.74 1xm8 n HIS 56 Ca 0.05 0.50 0.10 0.00 -0.26 0.00 0.00 57.72 58.11 1xm8 n HIS 56 Cb 0.38 -2.27 0.43 0.00 1.12 0.00 0.00 29.99 29.66 1xm8 n HIS 56 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1xm8 h TYR 57 N 1.46 0.60 0.00 4.41 3.20 -1.95 0.45 116.97 125.14 1xm8 h TYR 57 Ca -0.47 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1xm8 h TYR 57 Cb 1.33 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1xm8 h TYR 57 CO 0.44 0.28 0.00 -0.40 -1.64 0.00 0.00 178.16 176.84 1xm8 n ASP 58 N -4.49 0.00 -0.00 -2.11 5.75 -1.26 -0.70 116.55 113.74 1xm8 n ASP 58 Ca 0.11 -0.30 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 1xm8 n ASP 58 Cb 0.35 -0.10 -0.01 0.00 -1.03 0.00 0.00 41.12 40.33 1xm8 n ASP 58 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1xm8 n HIS 59 N -1.10 0.00 -0.31 2.11 8.25 0.11 -3.99 115.22 120.29 1xm8 n HIS 59 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1xm8 n HIS 59 Cb 0.08 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1xm8 n HIS 59 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1xm8 n THR 60 N -1.12 0.00 0.17 1.59 -2.24 -0.94 -3.32 114.28 108.41 1xm8 n THR 60 Ca 0.00 -0.28 0.09 0.00 -2.27 0.00 0.00 64.05 61.59 1xm8 n THR 60 Cb 0.01 1.31 0.60 0.00 -2.10 0.00 0.00 70.33 70.15 1xm8 n THR 60 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xm8 h GLY 61 N 0.00 0.12 0.14 3.38 0.00 -0.95 -1.90 103.07 103.87 1xm8 h GLY 61 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1xm8 h GLY 61 CO 0.00 0.04 -0.27 0.61 0.00 0.00 0.00 176.54 176.92 1xm8 n GLY 62 N -1.54 -0.56 0.32 4.60 0.00 0.19 -4.61 105.19 103.59 1xm8 n GLY 62 Ca 0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 1xm8 n GLY 62 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xm8 h ASN 63 N 1.31 -0.90 -0.36 1.61 4.21 -1.51 -1.73 115.58 118.21 1xm8 h ASN 63 Ca 0.00 0.12 -0.14 0.00 1.21 0.00 0.00 56.30 57.48 1xm8 h ASN 63 Cb 0.52 0.36 -0.01 0.00 -1.12 0.00 0.00 38.32 38.07 1xm8 h ASN 63 CO 0.00 -0.37 -0.32 -0.07 -1.29 0.00 0.00 177.43 175.38 1xm8 h LEU 64 N -0.46 0.94 -0.37 1.61 3.38 -1.82 0.46 115.31 119.05 1xm8 h LEU 64 Ca 0.06 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1xm8 h LEU 64 Cb 0.54 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1xm8 h LEU 64 CO -0.25 1.18 0.12 -0.08 0.09 0.00 0.00 178.44 179.50 1xm8 h GLU 65 N 0.75 0.58 -0.48 1.13 4.81 -1.86 0.43 114.58 119.95 1xm8 h GLU 65 Ca 0.08 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 1xm8 h GLU 65 Cb 0.90 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1xm8 h GLU 65 CO 0.08 0.59 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.68 1xm8 h LEU 66 N 0.45 1.00 -0.05 1.64 3.38 -1.05 0.99 115.31 121.67 1xm8 h LEU 66 Ca 0.12 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1xm8 h LEU 66 Cb 0.26 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1xm8 h LEU 66 CO -0.00 1.16 0.02 0.50 0.09 0.00 0.00 178.44 180.21 1xm8 h LYS 67 N 0.84 0.07 -0.50 1.13 3.64 -0.78 -1.05 116.57 119.91 1xm8 h LYS 67 Ca 0.11 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1xm8 h LYS 67 Cb 0.78 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1xm8 h LYS 67 CO 0.06 0.15 0.20 0.22 -2.27 0.00 0.00 179.45 177.82 1xm8 h ASP 68 N -0.03 0.69 -0.48 4.20 1.82 -0.73 0.20 116.42 122.08 1xm8 h ASP 68 Ca 0.02 -0.17 -0.10 0.00 -0.39 0.00 0.00 57.03 56.39 1xm8 h ASP 68 Cb 0.10 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 39.92 1xm8 h ASP 68 CO -0.00 0.67 -0.08 -0.09 -1.61 0.00 0.00 179.24 178.13 1xm8 h ARG 69 N 0.67 0.95 0.00 0.28 2.43 -0.62 -3.33 114.38 114.76 1xm8 h ARG 69 Ca 0.17 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1xm8 h ARG 69 Cb 0.19 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1xm8 h ARG 69 CO -0.01 0.98 -0.47 0.66 -1.51 0.00 0.00 179.97 179.62 1xm8 n TYR 70 N -4.16 0.00 -1.83 2.20 4.01 -0.41 -4.99 117.16 111.98 1xm8 n TYR 70 Ca 0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.63 1xm8 n TYR 70 Cb 0.37 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.37 1xm8 n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xm8 n GLY 71 N 1.24 0.57 3.76 2.72 0.00 0.68 -4.80 105.19 109.37 1xm8 n GLY 71 Ca 0.02 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1xm8 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm8 s ALA 72 N -2.57 2.35 -0.17 4.61 0.00 -1.18 -4.99 121.76 119.80 1xm8 s ALA 72 Ca 0.00 0.46 -0.07 0.00 0.00 0.00 0.00 51.96 52.35 1xm8 s ALA 72 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1xm8 s ALA 72 CO 0.00 -1.53 0.06 0.15 0.00 0.00 0.00 175.76 174.45 1xm8 s LYS 73 N -4.40 3.90 -0.14 0.00 -0.14 -0.46 -4.72 119.74 113.77 1xm8 s LYS 73 Ca 0.65 -0.33 -0.17 0.00 -1.36 0.00 0.00 55.97 54.76 1xm8 s LYS 73 Cb -0.20 -3.19 -0.04 0.00 -1.68 0.00 0.00 37.83 32.72 1xm8 s LYS 73 CO 0.48 0.32 0.44 0.08 -0.76 0.00 0.00 175.35 175.91 1xm8 s VAL 74 N 0.23 5.20 -0.15 3.17 1.01 -1.26 -0.75 120.40 127.85 1xm8 s VAL 74 Ca 0.04 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.90 1xm8 s VAL 74 Cb -0.12 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1xm8 s VAL 74 CO 0.00 0.31 -0.21 -0.63 0.00 0.00 0.00 175.10 174.58 1xm8 s ILE 75 N 0.77 2.14 0.07 2.22 -1.09 0.79 -0.25 121.20 125.86 1xm8 s ILE 75 Ca 0.23 -0.95 -0.02 0.00 -2.23 0.00 0.00 60.65 57.68 1xm8 s ILE 75 Cb -0.15 -1.87 0.01 0.00 -1.58 0.00 0.00 42.46 38.88 1xm8 s ILE 75 CO 0.09 0.54 0.14 0.61 -1.23 0.00 0.00 174.94 175.09 1xm8 n GLY 76 N 4.14 2.00 3.72 6.18 0.00 -0.67 -1.99 105.19 118.57 1xm8 n GLY 76 Ca -0.20 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1xm8 n GLY 76 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xm8 s SER 77 N -1.40 7.32 0.31 1.61 0.15 -1.26 0.03 113.70 120.47 1xm8 s SER 77 Ca 0.03 1.81 -0.01 0.00 0.70 0.00 0.00 55.95 58.49 1xm8 s SER 77 Cb -0.01 -2.58 0.50 0.00 -1.71 0.00 0.00 66.02 62.22 1xm8 s SER 77 CO 0.03 -0.26 1.97 0.00 1.20 0.00 0.00 173.24 176.17 1xm8 h ALA 78 N 6.36 1.46 -0.26 5.45 0.00 -1.27 -1.21 119.26 129.78 1xm8 h ALA 78 Ca -0.42 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.52 1xm8 h ALA 78 Cb 1.22 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1xm8 h ALA 78 CO 0.75 0.49 0.20 0.52 0.00 0.00 0.00 179.25 181.21 1xm8 h MET 79 N 1.05 0.00 -0.25 0.00 2.86 -1.89 -2.58 114.93 114.13 1xm8 h MET 79 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1xm8 h MET 79 Cb -0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1xm8 h MET 79 CO -0.07 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.65 1xm8 n ASP 80 N -4.37 3.63 -0.34 1.22 8.00 -0.50 -4.81 116.55 119.37 1xm8 n ASP 80 Ca 0.03 -2.89 0.08 0.00 0.71 0.00 0.00 54.79 52.73 1xm8 n ASP 80 Cb 0.35 -0.49 0.25 0.00 -0.02 0.00 0.00 41.12 41.21 1xm8 n ASP 80 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1xm8 h LYS 81 N 1.67 0.83 0.00 -1.24 3.64 -1.01 0.47 116.57 120.94 1xm8 h LYS 81 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1xm8 h LYS 81 Cb 1.31 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1xm8 h LYS 81 CO 0.18 0.55 0.00 -0.25 -2.27 0.00 0.00 179.45 177.66 1xm8 n ASP 82 N -4.71 0.00 -0.18 4.20 8.00 -1.26 -3.43 116.55 119.17 1xm8 n ASP 82 Ca 0.19 -0.23 0.04 0.00 0.71 0.00 0.00 54.79 55.51 1xm8 n ASP 82 Cb 0.41 -0.22 -0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1xm8 n ASP 82 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xm8 n ARG 83 N -1.22 2.29 -3.37 -1.24 1.74 0.16 -4.91 116.66 110.11 1xm8 n ARG 83 Ca 0.13 -0.53 -0.43 0.00 -0.77 0.00 0.00 57.85 56.25 1xm8 n ARG 83 Cb 0.17 -1.03 -0.09 0.00 -1.02 0.00 0.00 32.46 30.49 1xm8 n ARG 83 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xm8 s ILE 84 N -1.27 5.17 0.16 0.55 -1.09 -1.09 -4.81 121.20 118.82 1xm8 s ILE 84 Ca 0.07 -0.68 -0.32 0.00 -2.23 0.00 0.00 60.65 57.48 1xm8 s ILE 84 Cb 0.07 -4.05 -0.12 0.00 -1.58 0.00 0.00 42.46 36.77 1xm8 s ILE 84 CO 0.22 -0.47 1.74 -2.65 -1.23 0.00 0.00 174.94 172.56 1xm8 n PRO 85 N 5.39 2.63 -1.00 2.79 -0.02 -1.26 -2.58 135.00 140.95 1xm8 n PRO 85 Ca -0.10 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1xm8 n PRO 85 Cb 0.46 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 1xm8 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xm8 n GLY 86 N 3.97 0.47 3.69 -1.23 0.00 -1.26 -4.70 105.19 106.12 1xm8 n GLY 86 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1xm8 n GLY 86 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xm8 n ILE 87 N -2.85 0.17 -0.09 -0.61 3.06 -1.06 -4.37 119.36 113.60 1xm8 n ILE 87 Ca 0.00 -0.03 -0.10 0.00 -2.50 0.00 0.00 62.75 60.12 1xm8 n ILE 87 Cb 0.05 -1.83 -0.14 0.00 0.54 0.00 0.00 39.64 38.26 1xm8 n ILE 87 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1xm8 n ASP 88 N 4.51 0.88 -3.78 9.51 8.00 0.65 -4.94 116.55 131.38 1xm8 n ASP 88 Ca 0.18 -0.02 -0.22 0.00 0.71 0.00 0.00 54.79 55.43 1xm8 n ASP 88 Cb 0.32 0.69 -0.17 0.00 -0.02 0.00 0.00 41.12 41.94 1xm8 n ASP 88 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1xm8 s MET 89 N -2.44 0.58 -0.21 -1.24 1.75 -0.65 -5.01 119.30 112.08 1xm8 s MET 89 Ca -0.13 0.10 -0.06 0.00 -1.25 0.00 0.00 55.69 54.35 1xm8 s MET 89 Cb 0.06 -0.92 -0.03 0.00 2.84 0.00 0.00 34.83 36.78 1xm8 s MET 89 CO 0.70 -0.28 0.03 0.00 -0.65 0.00 0.00 175.02 174.82 1xm8 s ALA 90 N 1.86 3.13 0.01 4.11 0.00 -1.26 -1.66 121.76 127.95 1xm8 s ALA 90 Ca 0.03 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.04 1xm8 s ALA 90 Cb -0.12 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 1xm8 s ALA 90 CO -0.05 -0.19 -0.09 -0.51 0.00 0.00 0.00 175.76 174.93 1xm8 s LEU 91 N 1.06 3.06 0.26 0.00 1.43 0.10 -4.55 118.68 120.05 1xm8 s LEU 91 Ca 0.03 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 1xm8 s LEU 91 Cb -0.14 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1xm8 s LEU 91 CO 0.02 0.28 0.26 -0.54 0.23 0.00 0.00 176.35 176.60 1xm8 s LYS 92 N -1.37 3.05 0.23 1.70 1.02 -1.26 -0.93 119.74 122.17 1xm8 s LYS 92 Ca 0.16 -1.00 -0.32 0.00 0.02 0.00 0.00 55.97 54.84 1xm8 s LYS 92 Cb -0.11 -2.65 -0.13 0.00 -0.52 0.00 0.00 37.83 34.42 1xm8 s LYS 92 CO 0.07 0.37 1.46 -3.47 -0.92 0.00 0.00 175.35 172.86 1xm8 n ASP 93 N -1.27 2.94 0.00 2.83 2.03 -1.26 -1.42 116.55 120.40 1xm8 n ASP 93 Ca -0.07 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.37 1xm8 n ASP 93 Cb 0.58 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 1xm8 n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xm8 n GLY 94 N 2.42 1.35 3.76 0.27 0.00 0.03 -4.99 105.19 108.03 1xm8 n GLY 94 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1xm8 n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xm8 s ASP 95 N -3.14 5.62 -0.12 1.61 1.01 -0.51 -4.72 116.67 116.41 1xm8 s ASP 95 Ca 0.00 2.67 -0.05 0.00 0.71 0.00 0.00 52.55 55.88 1xm8 s ASP 95 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1xm8 s ASP 95 CO 0.00 -1.33 0.07 -0.54 0.21 0.00 0.00 175.17 173.59 1xm8 s LYS 96 N -2.76 3.37 -0.01 8.23 1.02 -1.26 -0.96 119.74 127.37 1xm8 s LYS 96 Ca 0.67 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.40 1xm8 s LYS 96 Cb -0.38 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 1xm8 s LYS 96 CO 0.46 0.65 -0.05 -0.46 -0.92 0.00 0.00 175.35 175.03 1xm8 s TRP 97 N -0.71 0.53 -0.28 3.18 -0.00 -0.17 -4.97 118.94 116.52 1xm8 s TRP 97 Ca 0.12 -0.11 -0.10 0.00 -0.00 0.00 0.00 56.10 56.02 1xm8 s TRP 97 Cb -0.12 -0.40 -0.03 0.00 -0.00 0.00 0.00 33.47 32.92 1xm8 s TRP 97 CO 0.03 -0.05 0.15 -1.64 -0.00 0.00 0.00 176.95 175.43 1xm8 s MET 98 N 0.18 3.73 -0.81 5.86 -1.94 -1.26 -0.62 119.30 124.43 1xm8 s MET 98 Ca -0.02 -0.45 -0.17 0.00 -1.71 0.00 0.00 55.69 53.34 1xm8 s MET 98 Cb -0.06 -3.55 0.15 0.00 2.01 0.00 0.00 34.83 33.39 1xm8 s MET 98 CO -0.00 -0.24 0.90 0.12 -0.01 0.00 0.00 175.02 175.79 1xm8 s PHE 99 N 1.69 3.31 -1.40 -0.03 5.36 0.21 -4.39 117.98 122.72 1xm8 s PHE 99 Ca 0.06 -1.49 -0.00 0.00 -0.96 0.00 0.00 56.93 54.54 1xm8 s PHE 99 Cb -0.16 -4.06 0.00 0.00 -0.34 0.00 0.00 43.02 38.47 1xm8 s PHE 99 CO 0.08 -1.27 0.44 0.00 -1.46 0.00 0.00 175.22 173.01 1xm8 n ALA 100 N 5.60 -2.00 -0.99 11.12 0.00 -1.26 -0.70 120.51 132.28 1xm8 n ALA 100 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1xm8 n ALA 100 Cb 0.47 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1xm8 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xm8 n GLY 101 N -1.94 0.49 3.54 0.00 0.00 -1.26 -4.99 105.19 101.03 1xm8 n GLY 101 Ca -0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1xm8 n GLY 101 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xm8 s HIS 102 N -2.10 3.09 0.17 1.61 4.02 0.12 -5.08 115.29 117.12 1xm8 s HIS 102 Ca 0.00 -0.18 -0.30 0.00 1.02 0.00 0.00 55.06 55.60 1xm8 s HIS 102 Cb 0.00 -1.98 -0.08 0.00 -1.02 0.00 0.00 32.58 29.49 1xm8 s HIS 102 CO 0.00 0.04 1.30 -2.00 1.02 0.00 0.00 174.74 175.09 1xm8 s GLU 103 N 0.32 4.40 -0.15 1.40 2.12 -1.26 -0.62 118.70 124.90 1xm8 s GLU 103 Ca -0.02 2.01 0.02 0.00 0.36 0.00 0.00 54.97 57.34 1xm8 s GLU 103 Cb -0.14 -3.22 0.01 0.00 0.26 0.00 0.00 34.13 31.04 1xm8 s GLU 103 CO 0.02 -0.26 -0.21 0.08 -0.54 0.00 0.00 175.26 174.35 1xm8 s VAL 104 N 0.31 2.15 -0.26 3.70 1.01 0.21 -4.09 120.40 123.43 1xm8 s VAL 104 Ca 0.57 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1xm8 s VAL 104 Cb -0.35 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1xm8 s VAL 104 CO 0.36 0.54 0.09 -1.00 0.00 0.00 0.00 175.10 175.10 1xm8 s HIS 105 N 0.85 3.11 -0.09 5.22 3.76 0.43 -1.00 115.29 127.58 1xm8 s HIS 105 Ca -0.06 -0.39 -0.25 0.00 -0.15 0.00 0.00 55.06 54.21 1xm8 s HIS 105 Cb -0.15 -2.27 -0.03 0.00 1.11 0.00 0.00 32.58 31.24 1xm8 s HIS 105 CO -0.03 -0.35 0.79 0.08 -0.85 0.00 0.00 174.74 174.39 1xm8 s VAL 106 N 1.63 4.96 -0.17 -0.90 1.01 -0.13 -1.14 120.40 125.66 1xm8 s VAL 106 Ca 0.06 1.61 0.01 0.00 0.00 0.00 0.00 61.98 63.66 1xm8 s VAL 106 Cb -0.15 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.13 1xm8 s VAL 106 CO 0.05 0.16 -0.15 -0.04 0.00 0.00 0.00 175.10 175.11 1xm8 s MET 107 N 1.32 2.48 0.14 2.72 -1.94 -0.58 -0.79 119.30 122.66 1xm8 s MET 107 Ca 0.40 -0.72 -0.31 0.00 -1.71 0.00 0.00 55.69 53.35 1xm8 s MET 107 Cb -0.18 -2.34 -0.09 0.00 2.01 0.00 0.00 34.83 34.23 1xm8 s MET 107 CO 0.18 -0.27 1.55 -0.51 -0.01 0.00 0.00 175.02 175.96 1xm8 s ASP 108 N 1.39 6.63 -0.42 3.03 1.01 -1.26 -0.44 116.67 126.62 1xm8 s ASP 108 Ca 0.03 2.54 0.10 0.00 0.71 0.00 0.00 52.55 55.94 1xm8 s ASP 108 Cb -0.14 -2.59 0.33 0.00 1.01 0.00 0.00 42.92 41.54 1xm8 s ASP 108 CO -0.11 -0.81 0.74 0.35 0.21 0.00 0.00 175.17 175.55 1xm8 n THR 109 N 4.10 0.40 -1.47 -1.27 -2.24 0.09 -4.88 114.28 109.01 1xm8 n THR 109 Ca 0.14 -4.70 -0.34 0.00 -2.27 0.00 0.00 64.05 56.88 1xm8 n THR 109 Cb 0.39 -0.74 0.09 0.00 -2.10 0.00 0.00 70.33 67.97 1xm8 n THR 109 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1xm8 s PRO 110 N -2.44 2.23 0.00 -0.78 0.04 -1.25 -4.59 135.00 128.20 1xm8 s PRO 110 Ca 0.41 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1xm8 s PRO 110 Cb 0.31 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.99 1xm8 s PRO 110 CO -0.09 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 175.61 1xm8 n GLY 111 N 0.19 0.33 0.10 0.56 0.00 -1.26 -3.47 105.19 101.64 1xm8 n GLY 111 Ca 0.13 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1xm8 n GLY 111 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1xm8 h HIS 112 N 0.00 -0.14 -3.04 1.61 -0.00 -1.83 -0.45 115.15 111.30 1xm8 h HIS 112 Ca 0.00 -0.00 -0.44 0.00 -0.00 0.00 0.00 60.37 59.93 1xm8 h HIS 112 Cb 0.00 0.05 -0.14 0.00 -0.00 0.00 0.00 27.41 27.32 1xm8 h HIS 112 CO 0.00 -0.09 -0.64 0.95 -0.00 0.00 0.00 177.93 178.16 1xm8 s THR 113 N -6.17 1.17 -0.41 6.26 -4.23 -1.26 -2.04 115.64 108.95 1xm8 s THR 113 Ca -0.14 -2.03 -0.17 0.00 -1.18 0.00 0.00 61.69 58.17 1xm8 s THR 113 Cb 0.06 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 71.34 1xm8 s THR 113 CO 0.65 -0.16 0.45 -0.54 -0.54 0.00 0.00 174.62 174.49 1xm8 s LYS 114 N -3.87 3.19 0.00 3.99 1.02 -1.26 -3.78 119.74 119.03 1xm8 s LYS 114 Ca 0.33 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.66 1xm8 s LYS 114 Cb 0.07 -3.94 0.00 0.00 -0.52 0.00 0.00 37.83 33.44 1xm8 s LYS 114 CO 0.13 -0.82 0.00 0.41 -0.92 0.00 0.00 175.35 174.14 1xm8 n GLY 115 N 5.07 1.44 3.76 -3.33 0.00 -1.26 -4.86 105.19 106.01 1xm8 n GLY 115 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1xm8 n GLY 115 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xm8 s HIS 116 N -1.26 2.79 0.26 1.61 5.04 -1.25 -4.68 115.29 117.80 1xm8 s HIS 116 Ca 0.00 0.95 0.11 0.00 -1.54 0.00 0.00 55.06 54.58 1xm8 s HIS 116 Cb 0.00 -3.99 -0.05 0.00 0.04 0.00 0.00 32.58 28.59 1xm8 s HIS 116 CO 0.00 -3.17 -0.19 0.96 -2.34 0.00 0.00 174.74 170.00 1xm8 s ILE 117 N -0.32 2.31 0.18 0.89 -4.36 0.10 -0.73 121.20 119.27 1xm8 s ILE 117 Ca 0.59 -2.36 0.11 0.00 -0.26 0.00 0.00 60.65 58.73 1xm8 s ILE 117 Cb -0.46 -2.24 -0.04 0.00 1.25 0.00 0.00 42.46 40.97 1xm8 s ILE 117 CO 0.51 -0.44 -0.23 -0.44 0.24 0.00 0.00 174.94 174.57 1xm8 s SER 118 N -3.46 3.23 -0.23 4.36 0.01 0.42 -4.64 113.70 113.40 1xm8 s SER 118 Ca 0.28 -0.85 0.02 0.00 1.31 0.00 0.00 55.95 56.71 1xm8 s SER 118 Cb -0.04 -0.23 0.05 0.00 0.21 0.00 0.00 66.02 66.01 1xm8 s SER 118 CO 0.13 0.09 -0.12 -0.76 0.41 0.00 0.00 173.24 172.99 1xm8 s LEU 119 N -2.61 2.90 -0.25 2.44 1.43 -0.35 -1.53 118.68 120.72 1xm8 s LEU 119 Ca 0.19 -1.15 -0.09 0.00 -1.03 0.00 0.00 54.13 52.04 1xm8 s LEU 119 Cb -0.08 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1xm8 s LEU 119 CO 0.09 -0.16 0.13 -0.47 0.23 0.00 0.00 176.35 176.17 1xm8 s TYR 120 N 1.23 3.21 -0.82 0.29 5.04 -0.29 -0.98 117.35 125.03 1xm8 s TYR 120 Ca -0.05 -0.00 -0.08 0.00 -2.44 0.00 0.00 57.07 54.51 1xm8 s TYR 120 Cb -0.18 -2.27 0.21 0.00 0.35 0.00 0.00 41.96 40.07 1xm8 s TYR 120 CO -0.07 -0.11 0.72 -0.06 -1.34 0.00 0.00 175.55 174.69 1xm8 s PHE 121 N 1.35 3.75 0.41 4.97 0.08 0.13 -0.43 117.98 128.24 1xm8 s PHE 121 Ca 0.06 -2.52 0.09 0.00 0.12 0.00 0.00 56.93 54.68 1xm8 s PHE 121 Cb -0.15 -3.52 0.88 0.00 -0.57 0.00 0.00 43.02 39.66 1xm8 s PHE 121 CO 0.06 -0.89 2.02 -1.00 -0.10 0.00 0.00 175.22 175.31 1xm8 h PRO 122 N 7.04 0.55 0.00 0.24 0.13 -1.79 -0.88 132.00 137.29 1xm8 h PRO 122 Ca 0.09 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1xm8 h PRO 122 Cb 0.95 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1xm8 h PRO 122 CO 0.79 0.36 -0.02 0.78 -0.23 0.00 0.00 178.00 179.68 1xm8 h GLY 123 N 0.56 0.00 -1.22 1.56 0.00 -1.93 -2.24 103.07 99.81 1xm8 h GLY 123 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1xm8 h GLY 123 CO -0.06 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.92 1xm8 n SER 124 N -3.18 2.58 -3.99 0.19 7.64 -0.42 -4.98 113.62 111.46 1xm8 n SER 124 Ca -0.01 -1.78 -0.26 0.00 1.01 0.00 0.00 58.87 57.82 1xm8 n SER 124 Cb 0.21 -0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.24 1xm8 n SER 124 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xm8 n ARG 125 N 0.66 -3.21 -4.01 1.43 1.74 -0.70 -4.88 116.66 107.69 1xm8 n ARG 125 Ca 0.10 0.39 -0.15 0.00 -0.77 0.00 0.00 57.85 57.43 1xm8 n ARG 125 Cb 0.38 -4.55 -0.15 0.00 -1.02 0.00 0.00 32.46 27.13 1xm8 n ARG 125 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xm8 s ALA 126 N -3.92 0.25 -0.05 7.54 0.00 -1.05 -0.80 121.76 123.74 1xm8 s ALA 126 Ca 0.07 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.00 1xm8 s ALA 126 Cb -0.04 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1xm8 s ALA 126 CO 0.90 0.03 -0.11 -1.50 0.00 0.00 0.00 175.76 175.08 1xm8 s ILE 127 N 0.16 0.99 -0.42 0.00 2.07 0.14 0.17 121.20 124.31 1xm8 s ILE 127 Ca -0.01 -0.42 -0.21 0.00 -1.41 0.00 0.00 60.65 58.60 1xm8 s ILE 127 Cb -0.04 -0.90 0.02 0.00 0.13 0.00 0.00 42.46 41.67 1xm8 s ILE 127 CO -0.00 0.31 0.64 -0.36 -1.91 0.00 0.00 174.94 173.62 1xm8 s PHE 128 N 0.48 3.08 -2.25 3.50 0.08 -0.15 -0.50 117.98 122.22 1xm8 s PHE 128 Ca -0.10 0.04 0.19 0.00 0.12 0.00 0.00 56.93 57.19 1xm8 s PHE 128 Cb -0.13 -3.31 0.11 0.00 -0.57 0.00 0.00 43.02 39.12 1xm8 s PHE 128 CO 0.02 -0.82 1.07 0.25 -0.10 0.00 0.00 175.22 175.65 1xm8 n THR 129 N 5.80 0.00 0.00 0.64 -2.24 -0.69 -1.20 114.28 116.59 1xm8 n THR 129 Ca -0.01 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1xm8 n THR 129 Cb 0.48 1.36 0.00 0.00 -2.10 0.00 0.00 70.33 70.07 1xm8 n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xm8 n GLY 130 N 1.14 3.39 1.51 3.38 0.00 -1.26 -1.18 105.19 112.17 1xm8 n GLY 130 Ca 0.10 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1xm8 n GLY 130 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xm8 n ASP 131 N 4.30 4.49 -0.04 1.61 9.92 -1.26 -0.10 116.55 135.47 1xm8 n ASP 131 Ca 0.00 -3.14 -0.03 0.00 -0.53 0.00 0.00 54.79 51.08 1xm8 n ASP 131 Cb 0.00 -0.65 -0.03 0.00 -0.64 0.00 0.00 41.12 39.80 1xm8 n ASP 131 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1xm8 h THR 132 N 2.50 0.36 -3.29 -3.53 2.02 -1.49 -1.61 112.91 107.88 1xm8 h THR 132 Ca 0.11 -1.24 -0.64 0.00 0.77 0.00 0.00 66.41 65.41 1xm8 h THR 132 Cb 1.88 0.68 -0.34 0.00 -1.74 0.00 0.00 68.15 68.63 1xm8 h THR 132 CO 0.47 0.12 -0.86 -0.32 0.37 0.00 0.00 175.52 175.30 1xm8 s MET 133 N -1.82 2.71 0.56 6.66 -2.45 -1.25 -2.01 119.30 121.70 1xm8 s MET 133 Ca -0.04 -0.75 0.09 0.00 -1.25 0.00 0.00 55.69 53.73 1xm8 s MET 133 Cb -0.01 -2.15 0.07 0.00 1.25 0.00 0.00 34.83 33.99 1xm8 s MET 133 CO 0.16 0.05 0.69 -0.06 1.05 0.00 0.00 175.02 176.90 1xm8 s PHE 134 N 0.67 1.52 -0.31 4.11 0.08 -0.48 -4.68 117.98 118.90 1xm8 s PHE 134 Ca -0.12 -0.74 -0.29 0.00 0.12 0.00 0.00 56.93 55.90 1xm8 s PHE 134 Cb -0.16 -2.14 0.01 0.00 -0.57 0.00 0.00 43.02 40.15 1xm8 s PHE 134 CO 0.03 -0.96 1.18 0.45 -0.10 0.00 0.00 175.22 175.82 1xm8 s SER 135 N -4.56 6.82 -0.48 1.36 0.15 -1.26 -3.50 113.70 112.23 1xm8 s SER 135 Ca 0.55 1.13 0.00 0.00 0.70 0.00 0.00 55.95 58.33 1xm8 s SER 135 Cb -0.05 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1xm8 s SER 135 CO 0.34 -0.97 0.00 0.18 1.20 0.00 0.00 173.24 174.00 1xm8 n LEU 136 N 7.20 -0.22 0.00 3.45 4.77 -1.26 -4.33 117.00 126.61 1xm8 n LEU 136 Ca 0.13 0.11 -0.05 0.00 -0.03 0.00 0.00 56.01 56.18 1xm8 n LEU 136 Cb 0.47 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 1xm8 n LEU 136 CO 0.61 -0.35 0.16 -0.24 -1.33 0.00 0.00 177.39 176.25 1xm8 n SER 137 N 0.48 -0.81 -4.35 -1.43 2.88 -1.23 -4.46 113.62 104.70 1xm8 n SER 137 Ca -0.04 -1.72 -0.18 0.00 -1.33 0.00 0.00 58.87 55.59 1xm8 n SER 137 Cb 0.20 1.40 -0.10 0.00 -0.75 0.00 0.00 64.21 64.96 1xm8 n SER 137 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xm8 s GLY 139 N -3.35 2.60 0.53 0.00 0.00 -0.61 -4.81 107.32 101.68 1xm8 s GLY 139 Ca 0.35 0.90 -0.22 0.00 0.00 0.00 0.00 44.72 45.75 1xm8 s GLY 139 CO 0.13 1.28 1.29 0.28 0.00 0.00 0.00 173.10 176.08 1xm8 n LYS 140 N -1.75 1.65 -3.08 2.90 5.02 -1.26 -4.73 118.16 116.90 1xm8 n LYS 140 Ca 0.13 0.60 -0.44 0.00 -2.02 0.00 0.00 58.31 56.58 1xm8 n LYS 140 Cb 0.50 -2.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.02 1xm8 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xm8 s LEU 141 N -2.92 5.50 0.10 -0.35 1.43 -1.26 -4.10 118.68 117.07 1xm8 s LEU 141 Ca 0.70 -3.11 -0.05 0.00 -1.03 0.00 0.00 54.13 50.64 1xm8 s LEU 141 Cb -0.43 -2.34 -0.20 0.00 0.03 0.00 0.00 46.19 43.25 1xm8 s LEU 141 CO 0.51 -0.62 1.21 -0.26 0.23 0.00 0.00 176.35 177.42 1xm8 h PHE 142 N 7.13 0.58 0.00 0.29 0.04 -1.62 -3.41 116.94 119.95 1xm8 h PHE 142 Ca 0.26 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1xm8 h PHE 142 Cb 0.89 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.99 1xm8 h PHE 142 CO 1.00 1.24 -0.86 0.39 -0.60 0.00 0.00 178.31 179.47 1xm8 n GLU 143 N -3.64 2.22 -3.15 1.51 1.02 -0.87 -5.02 120.64 112.72 1xm8 n GLU 143 Ca -0.08 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.85 1xm8 n GLU 143 Cb 0.94 -0.93 0.04 0.00 -0.02 0.00 0.00 31.44 31.47 1xm8 n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xm8 n GLY 144 N 2.42 2.25 3.88 0.62 0.00 -0.18 -4.72 105.19 109.46 1xm8 n GLY 144 Ca 0.00 -2.25 -0.21 0.00 0.00 0.00 0.00 46.02 43.56 1xm8 n GLY 144 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xm8 s THR 145 N -2.43 4.07 0.37 2.61 -4.23 -1.26 -4.86 115.64 109.90 1xm8 s THR 145 Ca 0.47 -1.28 0.10 0.00 -1.18 0.00 0.00 61.69 59.80 1xm8 s THR 145 Cb -0.04 -3.36 0.33 0.00 1.34 0.00 0.00 72.50 70.78 1xm8 s THR 145 CO 0.30 -0.24 1.88 -0.65 -0.54 0.00 0.00 174.62 175.37 1xm8 h PRO 146 N 1.25 0.62 -0.43 3.99 0.11 -1.95 -0.86 132.00 134.74 1xm8 h PRO 146 Ca -0.47 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1xm8 h PRO 146 Cb 1.25 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1xm8 h PRO 146 CO 0.58 0.41 -0.01 -0.22 -0.21 0.00 0.00 178.00 178.55 1xm8 h LYS 147 N 0.64 0.76 -0.32 1.05 3.64 -1.95 -0.31 116.57 120.07 1xm8 h LYS 147 Ca 0.42 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1xm8 h LYS 147 Cb 0.72 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1xm8 h LYS 147 CO -0.18 0.84 0.12 1.96 -2.27 0.00 0.00 179.45 179.92 1xm8 h GLN 148 N 0.60 0.49 -0.52 1.90 4.20 -1.74 -1.98 115.11 118.05 1xm8 h GLN 148 Ca 0.12 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.75 1xm8 h GLN 148 Cb 0.50 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1xm8 h GLN 148 CO 0.02 0.50 0.34 1.98 -0.67 0.00 0.00 178.83 181.00 1xm8 h MET 149 N 0.37 0.67 -0.28 1.46 4.05 -1.02 0.01 114.93 120.19 1xm8 h MET 149 Ca 0.11 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.52 1xm8 h MET 149 Cb 0.20 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.82 1xm8 h MET 149 CO -0.01 0.44 0.10 1.25 0.23 0.00 0.00 176.91 178.93 1xm8 h LEU 150 N 0.69 0.12 -0.56 3.39 5.85 -0.92 0.41 115.31 124.29 1xm8 h LEU 150 Ca 0.20 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1xm8 h LEU 150 Cb -0.06 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1xm8 h LEU 150 CO -0.05 0.10 0.33 0.00 -0.34 0.00 0.00 178.44 178.47 1xm8 h ALA 151 N 1.17 0.73 -0.63 1.25 0.00 -0.99 0.72 119.26 121.51 1xm8 h ALA 151 Ca 0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1xm8 h ALA 151 Cb 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1xm8 h ALA 151 CO -0.12 0.03 0.23 0.77 0.00 0.00 0.00 179.25 180.16 1xm8 h SER 152 N 0.64 0.89 -0.63 0.00 0.02 -0.40 -1.09 113.55 112.97 1xm8 h SER 152 Ca 0.23 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1xm8 h SER 152 Cb 0.06 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1xm8 h SER 152 CO -0.12 0.83 0.17 -0.07 -1.14 0.00 0.00 176.83 176.50 1xm8 h LEU 153 N 0.89 0.94 -1.07 5.07 3.38 -0.48 -2.47 115.31 121.56 1xm8 h LEU 153 Ca 0.21 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1xm8 h LEU 153 Cb 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1xm8 h LEU 153 CO -0.01 0.92 0.08 1.56 0.09 0.00 0.00 178.44 181.07 1xm8 h GLN 154 N 0.92 0.74 -0.63 1.13 4.20 -0.59 0.08 115.11 120.95 1xm8 h GLN 154 Ca 0.20 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.79 1xm8 h GLN 154 Cb 0.33 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 1xm8 h GLN 154 CO -0.00 0.70 0.37 0.87 -0.67 0.00 0.00 178.83 180.10 1xm8 h LYS 155 N 0.71 0.69 -0.17 1.46 1.57 -0.88 -1.24 116.57 118.71 1xm8 h LYS 155 Ca 0.15 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1xm8 h LYS 155 Cb 0.32 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1xm8 h LYS 155 CO 0.00 0.46 -0.03 0.82 -0.57 0.00 0.00 179.45 180.13 1xm8 h ILE 156 N 0.71 1.28 0.00 1.86 2.04 -1.15 -3.02 117.51 119.24 1xm8 h ILE 156 Ca 0.27 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1xm8 h ILE 156 Cb 0.09 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1xm8 h ILE 156 CO -0.14 0.29 0.00 0.35 0.00 0.00 0.00 178.15 178.65 1xm8 n THR 157 N -4.68 0.42 0.92 -0.27 -2.24 -0.01 -2.09 114.28 106.33 1xm8 n THR 157 Ca -0.05 0.11 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 1xm8 n THR 157 Cb 0.26 -0.77 0.50 0.00 -2.10 0.00 0.00 70.33 68.21 1xm8 n THR 157 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xm8 n SER 158 N -1.32 0.25 -4.81 3.42 3.41 -0.49 -4.80 113.62 109.29 1xm8 n SER 158 Ca 0.09 0.36 -0.30 0.00 -0.26 0.00 0.00 58.87 58.76 1xm8 n SER 158 Cb 0.17 -0.38 0.10 0.00 -0.26 0.00 0.00 64.21 63.84 1xm8 n SER 158 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xm8 s LEU 159 N -3.30 2.50 0.52 1.04 1.43 -0.89 -4.97 118.68 115.01 1xm8 s LEU 159 Ca 0.13 1.22 -0.22 0.00 -1.03 0.00 0.00 54.13 54.23 1xm8 s LEU 159 Cb 0.17 -3.79 -0.06 0.00 0.03 0.00 0.00 46.19 42.55 1xm8 s LEU 159 CO 0.58 -2.06 1.27 -2.65 0.23 0.00 0.00 176.35 173.73 1xm8 n PRO 160 N -3.48 1.63 0.18 1.29 -0.02 -1.26 -4.87 135.00 128.47 1xm8 n PRO 160 Ca 0.07 0.59 0.15 0.00 -2.02 0.00 0.00 63.50 62.29 1xm8 n PRO 160 Cb 0.57 -2.46 0.74 0.00 -0.02 0.00 0.00 33.50 32.33 1xm8 n PRO 160 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xm8 h ASP 161 N 1.45 0.00 -0.17 2.55 5.19 -1.93 -0.64 116.42 122.87 1xm8 h ASP 161 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1xm8 h ASP 161 Cb 1.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1xm8 h ASP 161 CO 0.57 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.79 1xm8 n ASP 162 N -4.21 1.01 -4.71 6.45 5.75 -1.26 -1.67 116.55 117.90 1xm8 n ASP 162 Ca 0.02 -1.90 -0.42 0.00 -0.01 0.00 0.00 54.79 52.47 1xm8 n ASP 162 Cb 0.29 -0.11 -0.03 0.00 -1.03 0.00 0.00 41.12 40.24 1xm8 n ASP 162 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1xm8 s THR 163 N -1.77 3.81 0.14 2.12 2.01 -0.25 -4.89 115.64 116.80 1xm8 s THR 163 Ca 0.17 1.27 -0.29 0.00 0.31 0.00 0.00 61.69 63.16 1xm8 s THR 163 Cb 0.09 -3.82 -0.07 0.00 0.01 0.00 0.00 72.50 68.71 1xm8 s THR 163 CO 0.12 0.08 0.90 -0.44 -0.69 0.00 0.00 174.62 174.59 1xm8 s SER 164 N 1.23 7.47 -0.23 3.53 0.01 0.02 -1.58 113.70 124.15 1xm8 s SER 164 Ca 0.61 1.75 -0.04 0.00 1.31 0.00 0.00 55.95 59.58 1xm8 s SER 164 Cb -0.31 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.35 1xm8 s SER 164 CO 0.28 0.03 -0.03 -0.63 0.41 0.00 0.00 173.24 173.31 1xm8 s ILE 165 N -0.42 3.44 -0.34 1.44 1.01 0.40 -0.68 121.20 126.04 1xm8 s ILE 165 Ca 0.43 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 1xm8 s ILE 165 Cb -0.23 -2.60 0.06 0.00 0.01 0.00 0.00 42.46 39.69 1xm8 s ILE 165 CO 0.29 0.37 0.09 -0.31 0.00 0.00 0.00 174.94 175.38 1xm8 s TYR 166 N 1.48 3.31 0.44 3.97 2.02 0.34 -1.88 117.35 127.02 1xm8 s TYR 166 Ca 0.05 -1.72 0.07 0.00 -0.37 0.00 0.00 57.07 55.10 1xm8 s TYR 166 Cb -0.15 -2.39 -0.02 0.00 -0.40 0.00 0.00 41.96 39.00 1xm8 s TYR 166 CO -0.02 -0.80 0.34 0.00 -1.57 0.00 0.00 175.55 173.49 1xm8 h GLY 168 N 1.07 0.00 -4.12 0.00 0.00 -0.78 -3.42 103.07 95.83 1xm8 h GLY 168 Ca -0.41 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.78 1xm8 h GLY 168 CO 0.60 0.00 -0.63 0.30 0.00 0.00 0.00 176.54 176.81 1xm8 s HIS 169 N -3.43 0.32 -1.11 5.60 3.76 -1.26 -0.97 115.29 118.19 1xm8 s HIS 169 Ca 0.02 -0.69 -0.15 0.00 -0.15 0.00 0.00 55.06 54.09 1xm8 s HIS 169 Cb 0.09 -0.24 0.16 0.00 1.11 0.00 0.00 32.58 33.71 1xm8 s HIS 169 CO 0.67 -0.31 1.32 -2.00 -0.85 0.00 0.00 174.74 173.56 1xm8 s GLU 170 N -2.61 3.94 0.00 1.40 2.56 0.21 -4.73 118.70 119.46 1xm8 s GLU 170 Ca -0.05 -2.36 0.07 0.00 0.00 0.00 0.00 54.97 52.63 1xm8 s GLU 170 Cb -0.01 -4.99 0.10 0.00 2.00 0.00 0.00 34.13 31.23 1xm8 s GLU 170 CO -0.05 -1.74 0.85 0.66 -0.56 0.00 0.00 175.26 174.42 1xm8 n TYR 171 N 5.77 0.08 -0.31 5.30 4.01 -1.26 -4.84 117.16 125.91 1xm8 n TYR 171 Ca 0.32 -0.13 -0.04 0.00 -0.16 0.00 0.00 57.90 57.89 1xm8 n TYR 171 Cb 0.45 -0.01 0.09 0.00 -0.31 0.00 0.00 39.34 39.56 1xm8 n TYR 171 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1xm8 h THR 172 N 1.45 1.26 0.03 -0.72 2.02 -1.85 0.39 112.91 115.48 1xm8 h THR 172 Ca 0.00 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 1xm8 h THR 172 Cb 0.40 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1xm8 h THR 172 CO 0.00 0.30 -0.01 0.25 0.37 0.00 0.00 175.52 176.43 1xm8 h LEU 173 N 1.22 -0.03 -0.65 2.58 5.85 -1.90 0.18 115.31 122.56 1xm8 h LEU 173 Ca 0.30 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1xm8 h LEU 173 Cb 0.09 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1xm8 h LEU 173 CO -0.04 0.16 0.32 -1.28 -0.34 0.00 0.00 178.44 177.27 1xm8 h SER 174 N -0.23 0.84 -0.96 1.25 0.87 -1.88 -1.98 113.55 111.45 1xm8 h SER 174 Ca -0.00 -0.12 0.08 0.00 -1.23 0.00 0.00 61.79 60.51 1xm8 h SER 174 Cb 0.22 -0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 61.89 1xm8 h SER 174 CO 0.01 0.73 0.62 0.78 -0.53 0.00 0.00 176.83 178.43 1xm8 h ASN 175 N 0.89 0.95 0.05 6.23 2.35 -0.70 -2.24 115.58 123.12 1xm8 h ASN 175 Ca 0.22 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.93 1xm8 h ASN 175 Cb 0.10 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1xm8 h ASN 175 CO -0.03 0.58 -0.17 0.77 -1.65 0.00 0.00 177.43 176.93 1xm8 h SER 176 N 1.06 0.23 -0.33 5.81 4.64 0.13 -1.08 113.55 124.01 1xm8 h SER 176 Ca 0.43 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.62 1xm8 h SER 176 Cb 0.27 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1xm8 h SER 176 CO -0.18 0.42 -0.10 0.11 -0.87 0.00 0.00 176.83 176.20 1xm8 h LYS 177 N 0.22 0.65 -0.39 4.77 1.57 -1.13 -1.16 116.57 121.10 1xm8 h LYS 177 Ca 0.04 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1xm8 h LYS 177 Cb 0.44 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1xm8 h LYS 177 CO 0.03 0.84 0.10 0.35 -0.57 0.00 0.00 179.45 180.20 1xm8 h PHE 178 N 0.42 0.64 -0.93 -1.35 3.57 -1.40 -1.98 116.94 115.90 1xm8 h PHE 178 Ca 0.08 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1xm8 h PHE 178 Cb 0.61 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 1xm8 h PHE 178 CO 0.05 0.62 0.60 0.00 -2.23 0.00 0.00 178.31 177.35 1xm8 h ALA 179 N 0.95 1.26 0.00 2.41 0.00 -1.04 -1.58 119.26 121.26 1xm8 h ALA 179 Ca 0.12 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1xm8 h ALA 179 Cb 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xm8 h ALA 179 CO -0.00 0.44 -0.34 -0.07 0.00 0.00 0.00 179.25 179.28 1xm8 h LEU 180 N 1.14 0.00 -1.74 0.00 3.38 -1.06 -0.22 115.31 116.81 1xm8 h LEU 180 Ca 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 1xm8 h LEU 180 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xm8 h LEU 180 CO -0.14 0.34 -0.11 0.77 0.09 0.00 0.00 178.44 179.39 1xm8 h SER 181 N 0.00 0.00 0.01 -0.43 4.64 -0.51 -3.03 113.55 114.23 1xm8 h SER 181 Ca -0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.93 1xm8 h SER 181 Cb 0.83 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.86 1xm8 h SER 181 CO 0.04 0.11 -2.43 0.18 -0.87 0.00 0.00 176.83 173.86 1xm8 n LEU 182 N -3.41 1.96 -3.11 5.97 4.77 -0.60 -4.77 117.00 117.82 1xm8 n LEU 182 Ca -0.01 -0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.68 1xm8 n LEU 182 Cb 0.28 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1xm8 n LEU 182 CO 0.29 0.79 -0.11 1.21 -1.33 0.00 0.00 177.39 178.24 1xm8 n GLU 183 N -3.09 1.70 0.25 3.23 2.13 -0.19 -3.87 120.64 120.80 1xm8 n GLU 183 Ca -0.41 -3.86 0.17 0.00 0.66 0.00 0.00 57.16 53.72 1xm8 n GLU 183 Cb 1.05 -1.88 0.81 0.00 0.27 0.00 0.00 31.44 31.69 1xm8 n GLU 183 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1xm8 h PRO 184 N 2.99 0.00 -0.34 5.31 0.13 -1.77 -2.39 132.00 135.93 1xm8 h PRO 184 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1xm8 h PRO 184 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1xm8 h PRO 184 CO 0.60 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.46 1xm8 n ASN 185 N -2.81 2.31 -4.55 1.44 5.03 -1.26 -4.76 115.26 110.66 1xm8 n ASN 185 Ca -0.01 -1.90 -0.43 0.00 0.87 0.00 0.00 54.58 53.12 1xm8 n ASN 185 Cb 0.18 -0.23 -0.04 0.00 -1.02 0.00 0.00 39.78 38.67 1xm8 n ASN 185 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1xm8 s ASN 186 N -1.27 6.43 0.32 6.41 3.84 -0.90 -4.90 114.94 124.87 1xm8 s ASN 186 Ca 0.32 -0.08 0.17 0.00 0.21 0.00 0.00 52.86 53.48 1xm8 s ASN 186 Cb 0.17 -2.45 0.34 0.00 -0.55 0.00 0.00 41.25 38.77 1xm8 s ASN 186 CO 0.24 -1.14 1.57 -0.33 -2.79 0.00 0.00 177.10 174.65 1xm8 h GLU 187 N 9.20 0.00 -0.34 0.43 5.08 -1.89 -0.89 114.58 126.17 1xm8 h GLU 187 Ca -0.25 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.04 1xm8 h GLU 187 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1xm8 h GLU 187 CO 1.06 0.46 -0.06 0.28 -1.00 0.00 0.00 179.01 179.75 1xm8 h VAL 188 N 0.00 1.27 -0.64 3.13 2.07 -1.91 -1.79 116.25 118.38 1xm8 h VAL 188 Ca -0.00 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1xm8 h VAL 188 Cb 1.18 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1xm8 h VAL 188 CO 0.06 0.36 0.32 0.25 0.02 0.00 0.00 177.57 178.58 1xm8 h LEU 189 N 0.43 0.84 -0.38 2.57 5.85 -1.76 0.39 115.31 123.24 1xm8 h LEU 189 Ca 0.09 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1xm8 h LEU 189 Cb 0.55 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1xm8 h LEU 189 CO 0.03 0.72 0.07 1.56 -0.34 0.00 0.00 178.44 180.49 1xm8 h GLN 190 N 0.89 0.19 -0.18 1.25 4.20 -1.01 0.20 115.11 120.65 1xm8 h GLN 190 Ca 0.22 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 1xm8 h GLN 190 Cb 0.10 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1xm8 h GLN 190 CO -0.03 0.13 0.02 1.03 -0.67 0.00 0.00 178.83 179.31 1xm8 h SER 191 N 0.20 0.30 -0.29 1.46 0.87 -1.10 -1.89 113.55 113.10 1xm8 h SER 191 Ca 0.18 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1xm8 h SER 191 Cb 0.21 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1xm8 h SER 191 CO -0.24 0.50 0.17 0.22 -0.53 0.00 0.00 176.83 176.95 1xm8 h TYR 192 N 0.08 0.39 -0.97 2.24 3.20 -0.69 -1.38 116.97 119.84 1xm8 h TYR 192 Ca 0.05 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1xm8 h TYR 192 Cb 0.34 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 1xm8 h TYR 192 CO 0.03 0.30 0.63 0.00 -1.64 0.00 0.00 178.16 177.48 1xm8 h ALA 193 N 1.05 1.37 -0.38 1.82 0.00 -0.55 0.15 119.26 122.72 1xm8 h ALA 193 Ca 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xm8 h ALA 193 Cb 0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1xm8 h ALA 193 CO -0.02 0.54 0.12 0.00 0.00 0.00 0.00 179.25 179.89 1xm8 h ALA 194 N 1.43 0.50 -0.93 0.00 0.00 -1.08 -1.64 119.26 117.55 1xm8 h ALA 194 Ca 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1xm8 h ALA 194 Cb -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1xm8 h ALA 194 CO -0.11 0.15 0.59 1.25 0.00 0.00 0.00 179.25 181.12 1xm8 h HIS 195 N 0.47 1.19 -0.40 0.00 6.17 -0.56 -1.28 115.15 120.75 1xm8 h HIS 195 Ca 0.12 0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.23 1xm8 h HIS 195 Cb 0.26 -0.40 -0.03 0.00 2.52 0.00 0.00 27.41 29.77 1xm8 h HIS 195 CO 0.01 0.77 0.23 0.28 0.71 0.00 0.00 177.93 179.93 1xm8 h VAL 196 N 1.27 1.03 -0.78 5.26 2.07 -0.54 -0.42 116.25 124.14 1xm8 h VAL 196 Ca 0.34 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.71 1xm8 h VAL 196 Cb -0.10 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1xm8 h VAL 196 CO -0.07 0.08 0.51 0.00 0.02 0.00 0.00 177.57 178.12 1xm8 h ALA 197 N 1.18 0.99 -0.44 1.67 0.00 -0.82 -0.09 119.26 121.74 1xm8 h ALA 197 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xm8 h ALA 197 Cb 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1xm8 h ALA 197 CO -0.08 0.39 0.24 0.93 0.00 0.00 0.00 179.25 180.72 1xm8 h GLU 198 N 1.04 0.62 -0.06 0.00 5.08 -0.72 -0.64 114.58 119.90 1xm8 h GLU 198 Ca 0.29 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1xm8 h GLU 198 Cb -0.11 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1xm8 h GLU 198 CO -0.07 0.51 0.04 -0.07 -1.00 0.00 0.00 179.01 178.41 1xm8 h LEU 199 N 0.58 0.08 -1.37 1.33 3.38 -0.66 -2.68 115.31 115.96 1xm8 h LEU 199 Ca 0.15 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1xm8 h LEU 199 Cb 0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xm8 h LEU 199 CO -0.02 0.13 -0.32 0.03 0.09 0.00 0.00 178.44 178.35 1xm8 h ARG 200 N 0.02 0.00 0.00 1.13 2.47 -0.92 -1.12 114.38 115.97 1xm8 h ARG 200 Ca 0.02 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 1xm8 h ARG 200 Cb 0.07 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1xm8 h ARG 200 CO -0.00 0.32 -0.13 0.66 0.56 0.00 0.00 179.97 181.37 1xm8 h SER 201 N 0.00 0.00 -0.38 7.04 4.64 -0.77 -1.74 113.55 122.34 1xm8 h SER 201 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1xm8 h SER 201 Cb 0.57 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 1xm8 h SER 201 CO 0.04 0.13 0.03 2.29 -0.87 0.00 0.00 176.83 178.45 1xm8 n LYS 202 N -3.74 3.20 -2.61 4.77 2.85 -0.77 -4.98 118.16 116.88 1xm8 n LYS 202 Ca -0.02 -2.96 -0.19 0.00 -1.05 0.00 0.00 58.31 54.09 1xm8 n LYS 202 Cb 0.24 -1.95 0.01 0.00 -0.65 0.00 0.00 35.03 32.67 1xm8 n LYS 202 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1xm8 n LYS 203 N -0.37 -2.77 -4.01 -1.58 5.02 -0.65 -5.00 118.16 108.80 1xm8 n LYS 203 Ca 0.26 0.87 -0.28 0.00 -2.02 0.00 0.00 58.31 57.14 1xm8 n LYS 203 Cb 1.02 -5.47 -0.05 0.00 -0.02 0.00 0.00 35.03 30.51 1xm8 n LYS 203 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xm8 s LEU 204 N -5.68 4.05 0.75 -0.35 1.43 -0.50 -5.00 118.68 113.38 1xm8 s LEU 204 Ca 0.12 0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.14 1xm8 s LEU 204 Cb -0.05 -2.67 0.05 0.00 0.03 0.00 0.00 46.19 43.55 1xm8 s LEU 204 CO 0.15 0.11 1.18 -2.84 0.23 0.00 0.00 176.35 175.18 1xm8 s PRO 205 N -2.81 2.07 0.00 1.29 0.02 -1.26 -4.06 135.00 130.25 1xm8 s PRO 205 Ca 0.32 1.65 0.18 0.00 0.02 0.00 0.00 61.00 63.18 1xm8 s PRO 205 Cb -0.11 -1.84 0.29 0.00 0.02 0.00 0.00 34.50 32.86 1xm8 s PRO 205 CO 0.25 -1.86 1.23 0.25 -0.33 0.00 0.00 177.00 176.54 1xm8 n THR 206 N -2.94 0.39 -4.81 0.99 -2.24 -1.26 -4.92 114.28 99.49 1xm8 n THR 206 Ca 0.13 -0.70 -0.33 0.00 -2.27 0.00 0.00 64.05 60.88 1xm8 n THR 206 Cb 0.51 1.04 -0.13 0.00 -2.10 0.00 0.00 70.33 69.65 1xm8 n THR 206 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xm8 s ILE 207 N -1.34 3.22 0.56 2.28 -1.09 -1.26 -4.20 121.20 119.37 1xm8 s ILE 207 Ca 0.29 -0.66 -0.15 0.00 -2.23 0.00 0.00 60.65 57.90 1xm8 s ILE 207 Cb 0.18 -2.28 -0.06 0.00 -1.58 0.00 0.00 42.46 38.71 1xm8 s ILE 207 CO 0.25 0.59 1.01 -2.16 -1.23 0.00 0.00 174.94 173.39 1xm8 s PRO 208 N -0.63 3.70 0.00 2.79 0.04 -1.26 -5.07 135.00 134.57 1xm8 s PRO 208 Ca 0.09 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1xm8 s PRO 208 Cb -0.11 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1xm8 s PRO 208 CO 0.01 -0.48 0.00 -2.37 0.04 0.00 0.00 177.00 174.20 1xm8 n THR 209 N -1.99 0.00 -4.23 1.26 5.66 -0.79 -4.88 114.28 109.32 1xm8 n THR 209 Ca 0.07 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.94 1xm8 n THR 209 Cb 0.54 -0.93 -0.10 0.00 -1.55 0.00 0.00 70.33 68.28 1xm8 n THR 209 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1xm8 s THR 210 N 1.06 0.80 0.21 1.09 -4.23 -1.26 -0.45 115.64 112.85 1xm8 s THR 210 Ca 0.00 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 58.44 1xm8 s THR 210 Cb 0.00 -1.95 0.15 0.00 1.34 0.00 0.00 72.50 72.04 1xm8 s THR 210 CO 0.00 -0.64 1.79 0.58 -0.54 0.00 0.00 174.62 175.81 1xm8 h VAL 211 N 2.78 0.91 -0.08 2.29 2.07 -1.30 -1.36 116.25 121.57 1xm8 h VAL 211 Ca -0.36 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1xm8 h VAL 211 Cb 1.19 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1xm8 h VAL 211 CO 0.64 0.11 0.03 0.50 0.02 0.00 0.00 177.57 178.87 1xm8 h LYS 212 N 0.61 0.07 -0.54 1.57 3.64 -1.61 -0.17 116.57 120.15 1xm8 h LYS 212 Ca 0.31 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1xm8 h LYS 212 Cb 0.25 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1xm8 h LYS 212 CO -0.22 0.05 0.34 1.98 -2.27 0.00 0.00 179.45 179.33 1xm8 h MET 213 N 0.07 0.72 -0.39 1.90 4.05 -1.75 -2.24 114.93 117.30 1xm8 h MET 213 Ca 0.03 -0.06 -0.15 0.00 -0.28 0.00 0.00 59.70 59.24 1xm8 h MET 213 Cb 0.01 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.65 1xm8 h MET 213 CO -0.03 0.51 -0.35 0.93 0.23 0.00 0.00 176.91 178.20 1xm8 h GLU 214 N 0.72 0.90 -0.96 0.39 4.39 -0.84 -1.18 114.58 118.00 1xm8 h GLU 214 Ca 0.19 -0.45 0.12 0.00 0.34 0.00 0.00 59.36 59.56 1xm8 h GLU 214 Cb -0.04 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.54 1xm8 h GLU 214 CO -0.04 1.11 0.61 0.87 -1.16 0.00 0.00 179.01 180.40 1xm8 h LYS 215 N 0.75 0.88 0.00 2.33 1.57 -0.87 0.13 116.57 121.36 1xm8 h LYS 215 Ca 0.07 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1xm8 h LYS 215 Cb 0.93 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1xm8 h LYS 215 CO 0.09 0.58 -0.59 0.00 -0.57 0.00 0.00 179.45 178.96 1xm8 h ALA 216 N 1.56 0.66 0.00 3.86 0.00 -0.90 -3.41 119.26 121.03 1xm8 h ALA 216 Ca 0.47 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xm8 h ALA 216 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xm8 h ALA 216 CO -0.24 0.74 -0.65 0.00 0.00 0.00 0.00 179.25 179.10 1xm8 s ASN 218 N -1.62 6.75 0.53 0.00 3.84 0.42 -4.92 114.94 119.94 1xm8 s ASN 218 Ca 0.00 0.83 0.20 0.00 0.21 0.00 0.00 52.86 54.10 1xm8 s ASN 218 Cb 0.00 -2.43 1.37 0.00 -0.55 0.00 0.00 41.25 39.64 1xm8 s ASN 218 CO 0.00 -0.62 2.12 1.55 -2.79 0.00 0.00 177.10 177.36 1xm8 h PRO 219 N 7.97 0.00 0.00 0.43 0.13 -1.87 -0.57 132.00 138.09 1xm8 h PRO 219 Ca -0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1xm8 h PRO 219 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1xm8 h PRO 219 CO 0.90 0.00 -0.04 0.74 -0.23 0.00 0.00 178.00 179.37 1xm8 h PHE 220 N 0.00 0.00 -0.12 1.56 0.04 -1.91 -1.98 116.94 114.53 1xm8 h PHE 220 Ca 0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1xm8 h PHE 220 Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1xm8 h PHE 220 CO 0.00 0.04 0.00 1.28 -0.60 0.00 0.00 178.31 179.03 1xm8 n LEU 221 N -3.15 2.41 -1.22 1.54 4.77 -0.23 -4.44 117.00 116.67 1xm8 n LEU 221 Ca 0.00 -0.90 0.04 0.00 -0.03 0.00 0.00 56.01 55.13 1xm8 n LEU 221 Cb 0.32 -0.07 0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1xm8 n LEU 221 CO 0.28 0.45 0.17 0.54 -1.33 0.00 0.00 177.39 177.50 1xm8 n ARG 222 N 0.85 0.70 0.00 3.23 1.74 -0.75 -4.89 116.66 117.54 1xm8 n ARG 222 Ca 0.17 -2.57 0.08 0.00 -0.77 0.00 0.00 57.85 54.77 1xm8 n ARG 222 Cb 0.48 -0.68 0.39 0.00 -1.02 0.00 0.00 32.46 31.63 1xm8 n ARG 222 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1xm8 n SER 223 N -0.15 0.00 -0.60 0.55 3.41 -1.19 -1.01 113.62 114.63 1xm8 n SER 223 Ca 0.12 0.35 0.12 0.00 -0.26 0.00 0.00 58.87 59.20 1xm8 n SER 223 Cb 0.97 -0.43 0.22 0.00 -0.26 0.00 0.00 64.21 64.70 1xm8 n SER 223 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xm8 n SER 224 N -1.43 2.06 -4.73 4.04 3.41 -1.26 -4.75 113.62 110.95 1xm8 n SER 224 Ca 0.06 -1.57 -0.42 0.00 -0.26 0.00 0.00 58.87 56.68 1xm8 n SER 224 Cb 0.18 0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1xm8 n SER 224 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xm8 s ASN 225 N -2.21 6.42 0.23 4.04 3.84 -0.18 -4.89 114.94 122.19 1xm8 s ASN 225 Ca 0.27 2.85 -0.08 0.00 0.21 0.00 0.00 52.86 56.11 1xm8 s ASN 225 Cb 0.20 -2.61 0.20 0.00 -0.55 0.00 0.00 41.25 38.49 1xm8 s ASN 225 CO 0.42 -0.92 1.88 0.74 -2.79 0.00 0.00 177.10 176.43 1xm8 h THR 226 N 3.69 1.24 -0.26 -5.21 2.02 -1.92 -1.44 112.91 111.03 1xm8 h THR 226 Ca -0.44 -0.50 -0.15 0.00 0.77 0.00 0.00 66.41 66.08 1xm8 h THR 226 Cb 1.21 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1xm8 h THR 226 CO 0.89 0.25 -0.44 0.44 0.37 0.00 0.00 175.52 177.03 1xm8 h ASP 227 N 1.21 0.83 -0.49 4.18 3.32 -1.90 -1.14 116.42 122.43 1xm8 h ASP 227 Ca 0.32 -0.53 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1xm8 h ASP 227 Cb -0.07 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 1xm8 h ASP 227 CO -0.06 1.20 0.29 0.40 -1.72 0.00 0.00 179.24 179.35 1xm8 h ILE 228 N 0.50 1.16 -0.60 0.35 2.04 -1.63 -0.09 117.51 119.23 1xm8 h ILE 228 Ca 0.02 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 1xm8 h ILE 228 Cb 1.04 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1xm8 h ILE 228 CO 0.10 0.16 0.02 0.03 0.00 0.00 0.00 178.15 178.46 1xm8 h ARG 229 N 0.66 1.05 -0.59 2.37 3.08 -1.13 -2.51 114.38 117.30 1xm8 h ARG 229 Ca 0.18 -0.33 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 1xm8 h ARG 229 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1xm8 h ARG 229 CO -0.03 1.02 0.09 -0.09 -1.07 0.00 0.00 179.97 179.89 1xm8 h ARG 230 N 0.95 0.98 -0.37 0.04 2.43 -1.06 0.19 114.38 117.54 1xm8 h ARG 230 Ca 0.17 -0.26 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1xm8 h ARG 230 Cb 0.54 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1xm8 h ARG 230 CO 0.03 0.93 0.25 0.00 -1.51 0.00 0.00 179.97 179.66 1xm8 h ALA 231 N 1.01 1.86 -0.46 2.80 0.00 -0.64 -2.64 119.26 121.20 1xm8 h ALA 231 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xm8 h ALA 231 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1xm8 h ALA 231 CO 0.01 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1xm8 n LEU 232 N -4.48 3.23 -4.04 0.00 4.77 -0.98 -4.98 117.00 110.52 1xm8 n LEU 232 Ca 0.03 -2.01 -0.30 0.00 -0.03 0.00 0.00 56.01 53.71 1xm8 n LEU 232 Cb 0.15 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1xm8 n LEU 232 CO 0.35 0.80 -0.13 -1.14 -1.33 0.00 0.00 177.39 175.94 1xm8 n ARG 233 N 0.83 -3.45 -2.96 3.23 0.63 0.03 -4.94 116.66 110.04 1xm8 n ARG 233 Ca 0.15 0.41 -0.41 0.00 -0.92 0.00 0.00 57.85 57.08 1xm8 n ARG 233 Cb 0.49 -4.81 -0.05 0.00 0.45 0.00 0.00 32.46 28.54 1xm8 n ARG 233 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1xm8 s ILE 234 N -3.67 4.93 0.34 5.15 1.01 0.44 -5.02 121.20 124.38 1xm8 s ILE 234 Ca 0.32 1.50 -0.27 0.00 0.00 0.00 0.00 60.65 62.20 1xm8 s ILE 234 Cb -0.17 -4.08 -0.12 0.00 0.01 0.00 0.00 42.46 38.10 1xm8 s ILE 234 CO 0.90 0.06 1.17 -2.65 0.00 0.00 0.00 174.94 174.42 1xm8 n PRO 235 N 5.11 1.80 -0.16 2.79 -0.02 -1.26 -4.64 135.00 138.62 1xm8 n PRO 235 Ca 0.03 0.63 0.14 0.00 -2.02 0.00 0.00 63.50 62.28 1xm8 n PRO 235 Cb 0.49 -2.16 0.49 0.00 -0.02 0.00 0.00 33.50 32.30 1xm8 n PRO 235 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xm8 h GLU 236 N 2.24 0.44 0.00 -0.52 5.08 -1.96 -1.68 114.58 118.17 1xm8 h GLU 236 Ca -0.44 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1xm8 h GLU 236 Cb 1.31 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1xm8 h GLU 236 CO 0.61 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.91 1xm8 n ALA 237 N -2.51 1.94 -1.77 3.43 0.00 -1.26 -4.84 120.51 115.51 1xm8 n ALA 237 Ca 0.14 -0.02 -0.39 0.00 0.00 0.00 0.00 53.44 53.17 1xm8 n ALA 237 Cb 0.49 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.57 1xm8 n ALA 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xm8 s ALA 238 N -3.10 3.16 0.94 0.00 0.00 -0.63 -5.02 121.76 117.11 1xm8 s ALA 238 Ca 0.09 1.17 -0.15 0.00 0.00 0.00 0.00 51.96 53.08 1xm8 s ALA 238 Cb 0.12 -3.47 0.20 0.00 0.00 0.00 0.00 23.12 19.97 1xm8 s ALA 238 CO 0.43 -0.83 1.30 0.16 0.00 0.00 0.00 175.76 176.81 1xm8 s ASP 239 N -0.88 3.20 0.29 0.00 1.47 -1.26 -4.83 116.67 114.66 1xm8 s ASP 239 Ca 0.59 0.19 0.01 0.00 1.18 0.00 0.00 52.55 54.52 1xm8 s ASP 239 Cb -0.36 -0.26 0.44 0.00 -0.34 0.00 0.00 42.92 42.40 1xm8 s ASP 239 CO 0.46 -2.67 1.80 -0.33 0.68 0.00 0.00 175.17 175.11 1xm8 h GLU 240 N -1.55 0.67 -0.29 2.11 5.08 -1.95 -0.90 114.58 117.75 1xm8 h GLU 240 Ca -0.44 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 57.68 1xm8 h GLU 240 Cb 1.24 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1xm8 h GLU 240 CO 0.38 0.70 -0.10 0.00 -1.00 0.00 0.00 179.01 178.98 1xm8 h ALA 241 N 1.36 0.40 -0.59 3.43 0.00 -1.93 0.12 119.26 122.05 1xm8 h ALA 241 Ca 0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1xm8 h ALA 241 Cb 0.41 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1xm8 h ALA 241 CO 0.02 0.25 0.28 0.93 0.00 0.00 0.00 179.25 180.73 1xm8 h GLU 242 N 0.34 0.85 -0.29 0.00 5.08 -1.87 -1.34 114.58 117.34 1xm8 h GLU 242 Ca 0.07 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1xm8 h GLU 242 Cb 0.60 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1xm8 h GLU 242 CO 0.03 0.69 0.17 0.00 -1.00 0.00 0.00 179.01 178.90 1xm8 h ALA 243 N 1.11 0.37 -0.52 3.43 0.00 -1.00 -2.03 119.26 120.62 1xm8 h ALA 243 Ca 0.20 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1xm8 h ALA 243 Cb 0.12 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1xm8 h ALA 243 CO -0.02 -0.12 0.18 1.25 0.00 0.00 0.00 179.25 180.54 1xm8 h LEU 244 N 0.36 0.17 -1.03 0.00 6.46 -0.57 -0.83 115.31 119.88 1xm8 h LEU 244 Ca 0.10 0.07 0.04 0.00 -0.12 0.00 0.00 57.88 57.97 1xm8 h LEU 244 Cb 0.03 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 39.96 1xm8 h LEU 244 CO -0.02 0.12 0.65 1.23 -0.62 0.00 0.00 178.44 179.80 1xm8 h GLY 245 N 0.36 1.46 0.92 3.75 0.00 -0.92 0.10 103.07 108.73 1xm8 h GLY 245 Ca 0.25 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1xm8 h GLY 245 CO -0.26 0.42 0.03 -2.22 0.00 0.00 0.00 176.54 174.50 1xm8 h ILE 246 N 1.25 1.25 -0.63 2.60 2.04 -0.62 -0.90 117.51 122.49 1xm8 h ILE 246 Ca 0.40 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1xm8 h ILE 246 Cb 0.02 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1xm8 h ILE 246 CO -0.13 0.30 0.40 0.40 0.00 0.00 0.00 178.15 179.13 1xm8 h ILE 247 N 0.43 1.11 -0.50 -0.67 2.04 -0.75 -0.95 117.51 118.22 1xm8 h ILE 247 Ca 0.10 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 1xm8 h ILE 247 Cb 0.41 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1xm8 h ILE 247 CO 0.01 0.15 -0.01 -0.09 0.00 0.00 0.00 178.15 178.21 1xm8 h ARG 248 N 0.80 0.88 -0.58 2.37 9.65 -0.60 0.14 114.38 127.03 1xm8 h ARG 248 Ca 0.25 -0.28 -0.11 0.00 -1.10 0.00 0.00 59.98 58.74 1xm8 h ARG 248 Cb -0.02 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.46 1xm8 h ARG 248 CO -0.09 0.92 -0.06 0.87 2.80 0.00 0.00 179.97 184.42 1xm8 h LYS 249 N 0.74 1.07 -0.62 0.20 1.57 -0.91 -1.26 116.57 117.36 1xm8 h LYS 249 Ca 0.14 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1xm8 h LYS 249 Cb 0.53 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1xm8 h LYS 249 CO 0.03 1.07 0.38 0.00 -0.57 0.00 0.00 179.45 180.35 1xm8 h ALA 250 N 0.96 0.78 -0.54 3.86 0.00 -0.81 -2.54 119.26 120.98 1xm8 h ALA 250 Ca 0.16 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1xm8 h ALA 250 Cb 0.63 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1xm8 h ALA 250 CO 0.04 0.26 0.10 -0.22 0.00 0.00 0.00 179.25 179.43 1xm8 h LYS 251 N 0.83 0.89 -0.99 0.00 3.64 -0.82 -1.94 116.57 118.18 1xm8 h LYS 251 Ca 0.22 -0.23 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1xm8 h LYS 251 Cb -0.03 -0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 31.60 1xm8 h LYS 251 CO -0.04 0.85 0.63 -0.44 -2.27 0.00 0.00 179.45 178.18 1xm8 h ASP 252 N 0.78 0.95 -0.63 4.20 3.32 -1.01 -2.58 116.42 121.45 1xm8 h ASP 252 Ca 0.17 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1xm8 h ASP 252 Cb 0.38 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1xm8 h ASP 252 CO 0.01 0.54 0.00 -0.67 -1.72 0.00 0.00 179.24 177.40 1xm8 n ASP 253 N -4.57 5.28 -0.17 6.45 2.03 -0.98 -5.12 116.55 119.48 1xm8 n ASP 253 Ca 0.18 -2.68 0.15 0.00 0.52 0.00 0.00 54.79 52.96 1xm8 n ASP 253 Cb 0.30 -0.64 0.80 0.00 -0.72 0.00 0.00 41.12 40.86 1xm8 n ASP 253 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61