#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 9xia s ASN 2 N 0.00 4.12 -0.43 3.17 0.01 -1.26 -5.11 114.94 115.44 9xia s ASN 2 Ca 0.00 -0.78 0.03 0.00 -0.71 0.00 0.00 52.86 51.39 9xia s ASN 2 Cb 0.00 -0.61 0.16 0.00 0.41 0.00 0.00 41.25 41.21 9xia s ASN 2 CO 0.00 0.03 0.31 -0.31 -1.51 0.00 0.00 177.10 175.62 9xia s TYR 3 N -2.28 1.41 -0.25 2.20 1.51 -1.26 -5.11 117.35 113.56 9xia s TYR 3 Ca 0.30 -2.28 -0.13 0.00 -1.01 0.00 0.00 57.07 53.95 9xia s TYR 3 Cb -0.06 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 9xia s TYR 3 CO 0.17 -0.79 0.29 -1.14 -1.11 0.00 0.00 175.55 172.97 9xia s GLN 4 N 0.19 4.05 0.52 -0.62 -0.44 -1.26 -4.70 119.66 117.40 9xia s GLN 4 Ca 0.26 -0.07 -0.18 0.00 -2.50 0.00 0.00 55.36 52.87 9xia s GLN 4 Cb -0.08 -3.60 -0.07 0.00 -1.64 0.00 0.00 33.01 27.61 9xia s GLN 4 CO -0.11 -0.13 1.02 -1.25 0.50 0.00 0.00 175.29 175.32 9xia s PRO 5 N 1.62 3.73 0.09 1.67 0.04 -1.26 -5.07 135.00 135.82 9xia s PRO 5 Ca 0.13 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.37 9xia s PRO 5 Cb -0.15 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 9xia s PRO 5 CO 0.08 -0.47 -0.08 0.95 0.04 0.00 0.00 177.00 177.53 9xia s THR 6 N -2.31 0.76 0.59 1.26 -4.23 -1.25 -4.66 115.64 105.80 9xia s THR 6 Ca 0.63 -1.72 0.30 0.00 -1.18 0.00 0.00 61.69 59.72 9xia s THR 6 Cb -0.14 -1.42 0.41 0.00 1.34 0.00 0.00 72.50 72.69 9xia s THR 6 CO 0.27 -0.70 1.69 -0.65 -0.54 0.00 0.00 174.62 174.69 9xia h PRO 7 N 3.37 0.00 0.00 3.99 0.11 -1.78 0.51 132.00 138.20 9xia h PRO 7 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 9xia h PRO 7 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 9xia h PRO 7 CO 0.57 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.29 9xia h GLU 8 N 0.00 0.00 0.00 1.05 4.39 -1.95 -2.25 114.58 115.82 9xia h GLU 8 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 9xia h GLU 8 Cb 1.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.55 9xia h GLU 8 CO -0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 9xia n ASP 9 N -2.91 0.00 -3.31 1.42 10.43 0.18 -4.92 116.55 117.44 9xia n ASP 9 Ca 0.00 -0.01 -0.23 0.00 2.57 0.00 0.00 54.79 57.12 9xia n ASP 9 Cb 0.25 -0.31 0.06 0.00 1.84 0.00 0.00 41.12 42.96 9xia n ASP 9 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 9xia n ARG 10 N -1.31 -6.67 -2.90 -1.24 5.12 -0.85 -4.69 116.66 104.13 9xia n ARG 10 Ca 0.12 0.85 -0.41 0.00 -1.93 0.00 0.00 57.85 56.47 9xia n ARG 10 Cb 0.22 -5.78 -0.04 0.00 -1.16 0.00 0.00 32.46 25.69 9xia n ARG 10 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 9xia s PHE 11 N -3.26 3.50 0.14 -1.55 0.08 -1.26 -0.34 117.98 115.29 9xia s PHE 11 Ca 0.47 1.33 0.06 0.00 0.12 0.00 0.00 56.93 58.91 9xia s PHE 11 Cb -0.21 -2.97 -0.04 0.00 -0.57 0.00 0.00 43.02 39.23 9xia s PHE 11 CO 0.58 -0.11 -0.14 0.95 -0.10 0.00 0.00 175.22 176.40 9xia s THR 12 N 1.60 1.38 0.02 0.64 -4.23 -0.76 0.48 115.64 114.76 9xia s THR 12 Ca 0.40 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 9xia s THR 12 Cb -0.18 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 72.01 9xia s THR 12 CO 0.16 -0.47 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.36 9xia s PHE 13 N -2.38 0.40 0.40 3.99 0.08 -1.11 -0.09 117.98 119.26 9xia s PHE 13 Ca 0.12 -0.33 -0.23 0.00 0.12 0.00 0.00 56.93 56.60 9xia s PHE 13 Cb -0.03 -0.25 -0.10 0.00 -0.57 0.00 0.00 43.02 42.06 9xia s PHE 13 CO 0.03 -0.08 0.97 0.20 -0.10 0.00 0.00 175.22 176.24 9xia s GLY 14 N -0.97 2.58 0.45 4.36 0.00 -1.23 -1.78 107.32 110.73 9xia s GLY 14 Ca -0.07 0.50 0.13 0.00 0.00 0.00 0.00 44.72 45.28 9xia s GLY 14 CO -0.00 0.86 2.03 1.41 0.00 0.00 0.00 173.10 177.40 9xia h LEU 15 N 2.34 0.31 0.00 0.66 3.38 -1.43 -2.36 115.31 118.21 9xia h LEU 15 Ca -0.48 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 9xia h LEU 15 Cb 1.19 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.87 9xia h LEU 15 CO 0.62 0.21 0.00 -2.67 0.09 0.00 0.00 178.44 176.69 9xia n TRP 16 N -4.48 0.00 0.00 1.13 2.14 -1.26 -1.95 117.44 113.02 9xia n TRP 16 Ca 0.06 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.63 9xia n TRP 16 Cb 0.24 -0.42 0.00 0.00 -0.81 0.00 0.00 31.31 30.32 9xia n TRP 16 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 9xia n THR 17 N -1.42 0.00 0.31 -1.67 -2.24 -0.89 -2.82 114.28 105.55 9xia n THR 17 Ca 0.06 0.25 0.19 0.00 -2.27 0.00 0.00 64.05 62.28 9xia n THR 17 Cb 0.18 -0.88 0.96 0.00 -2.10 0.00 0.00 70.33 68.49 9xia n THR 17 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 9xia h VAL 18 N 0.00 0.13 -0.00 2.28 -1.51 -1.72 -1.50 116.25 113.94 9xia h VAL 18 Ca 0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 9xia h VAL 18 Cb 0.00 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 9xia h VAL 18 CO 0.00 0.02 -0.02 0.61 -1.23 0.00 0.00 177.57 176.95 9xia n GLY 19 N -0.69 -0.90 3.65 5.19 0.00 -0.82 -4.90 105.19 106.72 9xia n GLY 19 Ca -0.02 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 9xia n GLY 19 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 9xia s TRP 20 N -2.21 1.67 -0.79 1.61 -0.00 -0.56 -4.68 118.94 113.98 9xia s TRP 20 Ca 0.39 0.00 0.23 0.00 -0.00 0.00 0.00 56.10 56.73 9xia s TRP 20 Cb 0.21 -4.05 0.91 0.00 -0.00 0.00 0.00 33.47 30.54 9xia s TRP 20 CO 0.40 -4.43 1.72 1.04 -0.00 0.00 0.00 176.95 175.68 9xia n GLN 21 N 7.45 0.12 -0.25 5.86 6.02 -1.26 -4.89 117.38 130.43 9xia n GLN 21 Ca 0.19 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 9xia n GLN 21 Cb 0.43 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 30.00 9xia n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 9xia n GLY 22 N 0.66 0.86 3.71 1.08 0.00 -1.26 -1.48 105.19 108.76 9xia n GLY 22 Ca 0.04 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 9xia n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 9xia s ARG 23 N -0.66 4.54 0.40 1.61 3.52 -1.26 -4.35 118.95 122.76 9xia s ARG 23 Ca 0.00 1.51 0.03 0.00 -0.13 0.00 0.00 55.73 57.15 9xia s ARG 23 Cb 0.00 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 9xia s ARG 23 CO 0.00 -0.07 0.10 0.16 -0.81 0.00 0.00 175.30 174.68 9xia s ASP 24 N 0.90 2.87 0.57 -2.12 3.84 -0.88 -4.98 116.67 116.87 9xia s ASP 24 Ca 0.53 -1.61 0.27 0.00 -0.00 0.00 0.00 52.55 51.74 9xia s ASP 24 Cb -0.23 0.38 1.58 0.00 -1.38 0.00 0.00 42.92 43.27 9xia s ASP 24 CO 0.29 -0.85 2.11 1.55 -0.00 0.00 0.00 175.17 178.26 9xia h PRO 25 N 1.80 0.00 -0.21 2.11 0.13 -2.02 -2.62 132.00 131.20 9xia h PRO 25 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 9xia h PRO 25 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 9xia h PRO 25 CO 0.62 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.58 9xia n PHE 26 N -3.99 0.39 -3.43 1.56 3.72 -1.26 -5.06 117.46 109.39 9xia n PHE 26 Ca 0.02 -0.61 -0.12 0.00 -0.05 0.00 0.00 57.45 56.68 9xia n PHE 26 Cb 0.31 -0.10 -0.02 0.00 -0.94 0.00 0.00 39.48 38.73 9xia n PHE 26 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 9xia s GLY 27 N -1.34 -0.61 0.78 1.37 0.00 -0.99 -5.16 107.32 101.37 9xia s GLY 27 Ca 0.21 0.55 -0.11 0.00 0.00 0.00 0.00 44.72 45.37 9xia s GLY 27 CO 0.09 0.21 1.09 0.99 0.00 0.00 0.00 173.10 175.48 9xia s ASP 28 N -2.66 4.66 0.33 1.64 1.01 -1.26 -2.08 116.67 118.31 9xia s ASP 28 Ca 0.01 1.39 -0.28 0.00 0.71 0.00 0.00 52.55 54.37 9xia s ASP 28 Cb -0.01 -2.16 -0.12 0.00 1.01 0.00 0.00 42.92 41.64 9xia s ASP 28 CO -0.12 -1.87 1.32 0.00 0.21 0.00 0.00 175.17 174.71 9xia n ALA 29 N -3.38 1.38 0.67 5.23 0.00 -1.26 -4.39 120.51 118.76 9xia n ALA 29 Ca 0.07 0.37 0.07 0.00 0.00 0.00 0.00 53.44 53.95 9xia n ALA 29 Cb 0.56 -2.27 -0.05 0.00 0.00 0.00 0.00 19.45 17.69 9xia n ALA 29 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 9xia n THR 30 N 0.56 0.00 -4.08 0.00 -2.24 -0.55 -4.93 114.28 103.03 9xia n THR 30 Ca 0.05 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 9xia n THR 30 Cb 0.36 1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 69.54 9xia n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 9xia s ARG 31 N -2.13 0.57 0.63 -0.78 0.52 -0.97 -4.99 118.95 111.80 9xia s ARG 31 Ca 0.08 -0.76 -0.15 0.00 -0.52 0.00 0.00 55.73 54.39 9xia s ARG 31 Cb 0.11 -0.37 -0.02 0.00 0.52 0.00 0.00 34.95 35.19 9xia s ARG 31 CO 0.50 0.07 1.07 -0.98 0.02 0.00 0.00 175.30 175.98 9xia s ARG 32 N -1.53 3.11 0.52 3.54 1.70 -1.26 -4.70 118.95 120.32 9xia s ARG 32 Ca -0.08 1.20 -0.21 0.00 -0.47 0.00 0.00 55.73 56.17 9xia s ARG 32 Cb -0.10 -2.00 -0.06 0.00 -0.57 0.00 0.00 34.95 32.22 9xia s ARG 32 CO 0.01 -0.98 1.16 0.00 -1.08 0.00 0.00 175.30 174.41 9xia s ALA 33 N -2.55 2.79 -0.04 7.88 0.00 -1.26 -4.89 121.76 123.70 9xia s ALA 33 Ca 0.63 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 53.50 9xia s ALA 33 Cb -0.17 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 9xia s ALA 33 CO 0.42 -0.80 0.03 -0.51 0.00 0.00 0.00 175.76 174.90 9xia s LEU 34 N -3.51 3.70 0.12 0.00 1.43 -1.26 -5.08 118.68 114.08 9xia s LEU 34 Ca 0.70 0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.62 9xia s LEU 34 Cb -0.27 -2.02 -0.06 0.00 0.03 0.00 0.00 46.19 43.86 9xia s LEU 34 CO 0.32 0.32 0.97 -0.62 0.23 0.00 0.00 176.35 177.57 9xia s ASP 35 N -1.33 7.48 0.47 2.29 3.68 -1.26 -4.91 116.67 123.09 9xia s ASP 35 Ca 0.18 1.83 0.27 0.00 2.13 0.00 0.00 52.55 56.96 9xia s ASP 35 Cb -0.12 -2.59 1.32 0.00 -1.45 0.00 0.00 42.92 40.08 9xia s ASP 35 CO 0.08 -0.07 1.81 -0.65 0.13 0.00 0.00 175.17 176.47 9xia h PRO 36 N 5.47 0.19 -0.50 4.34 0.11 -1.98 0.22 132.00 139.85 9xia h PRO 36 Ca -0.43 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 9xia h PRO 36 Cb 1.21 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 9xia h PRO 36 CO 0.72 0.12 0.23 0.28 -0.21 0.00 0.00 178.00 179.15 9xia h VAL 37 N 0.19 1.20 -0.53 3.15 2.07 -1.92 -0.58 116.25 119.84 9xia h VAL 37 Ca 0.55 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 9xia h VAL 37 Cb 1.77 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 9xia h VAL 37 CO -0.14 0.22 0.19 -0.08 0.02 0.00 0.00 177.57 177.78 9xia h GLU 38 N 0.67 0.81 -0.47 1.57 4.81 -1.35 -2.37 114.58 118.25 9xia h GLU 38 Ca 0.17 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 9xia h GLU 38 Cb 0.14 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 9xia h GLU 38 CO -0.02 0.73 0.21 0.77 -0.73 0.00 0.00 179.01 179.97 9xia h SER 39 N 0.72 0.64 -0.22 1.04 0.02 -1.26 0.16 113.55 114.65 9xia h SER 39 Ca 0.17 -0.15 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 9xia h SER 39 Cb 0.24 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 9xia h SER 39 CO -0.01 0.61 -0.04 0.58 -1.14 0.00 0.00 176.83 176.84 9xia h VAL 40 N 0.62 0.80 -0.41 2.27 2.07 -0.94 -0.24 116.25 120.42 9xia h VAL 40 Ca 0.16 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 9xia h VAL 40 Cb 0.16 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 9xia h VAL 40 CO -0.02 0.00 0.13 1.56 0.02 0.00 0.00 177.57 179.26 9xia h GLN 41 N 0.02 0.64 -0.45 1.57 4.20 -1.17 -0.95 115.11 118.97 9xia h GLN 41 Ca 0.11 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 9xia h GLN 41 Cb 0.15 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 9xia h GLN 41 CO -0.21 0.63 -0.19 0.00 -0.67 0.00 0.00 178.83 178.39 9xia h ARG 42 N 0.52 0.92 -0.61 1.46 2.47 -0.74 -1.94 114.38 116.46 9xia h ARG 42 Ca 0.13 -0.39 -0.07 0.00 -1.26 0.00 0.00 59.98 58.39 9xia h ARG 42 Cb 0.26 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 9xia h ARG 42 CO -0.00 1.05 0.12 -0.07 0.56 0.00 0.00 179.97 181.62 9xia h LEU 43 N 0.76 0.96 -0.67 3.04 3.38 -0.97 -2.60 115.31 119.20 9xia h LEU 43 Ca 0.10 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.82 9xia h LEU 43 Cb 0.76 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 9xia h LEU 43 CO 0.06 0.97 0.44 0.00 0.09 0.00 0.00 178.44 179.99 9xia h ALA 44 N 1.03 0.85 0.00 1.53 0.00 -0.95 -1.54 119.26 120.18 9xia h ALA 44 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 9xia h ALA 44 Cb 0.40 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 9xia h ALA 44 CO 0.01 0.29 -0.06 0.93 0.00 0.00 0.00 179.25 180.42 9xia h GLU 45 N 0.91 0.00 -0.00 0.00 5.08 -1.07 -1.80 114.58 117.69 9xia h GLU 45 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 9xia h GLU 45 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 9xia h GLU 45 CO -0.05 0.06 -0.11 1.28 -1.00 0.00 0.00 179.01 179.19 9xia n LEU 46 N -4.28 0.15 0.00 1.33 4.77 -0.62 -4.92 117.00 113.43 9xia n LEU 46 Ca -0.03 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 9xia n LEU 46 Cb 0.14 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 9xia n LEU 46 CO 0.33 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 9xia n GLY 47 N 1.45 1.11 3.78 -0.72 0.00 -0.68 -4.71 105.19 105.42 9xia n GLY 47 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 9xia n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9xia s ALA 48 N -2.00 2.40 -0.11 4.61 0.00 -0.96 -3.28 121.76 122.42 9xia s ALA 48 Ca 0.00 0.28 0.20 0.00 0.00 0.00 0.00 51.96 52.44 9xia s ALA 48 Cb 0.00 -3.26 -0.25 0.00 0.00 0.00 0.00 23.12 19.61 9xia s ALA 48 CO 0.00 -1.54 0.47 1.58 0.00 0.00 0.00 175.76 176.27 9xia n HIS 49 N -3.20 0.24 -3.98 0.00 -0.00 0.18 -4.53 115.22 103.93 9xia n HIS 49 Ca 0.09 0.08 0.02 0.00 -0.00 0.00 0.00 57.72 57.91 9xia n HIS 49 Cb 0.53 -0.77 0.01 0.00 -0.00 0.00 0.00 29.99 29.76 9xia n HIS 49 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 9xia n GLY 50 N 1.41 0.30 3.30 1.57 0.00 -1.14 -2.28 105.19 108.36 9xia n GLY 50 Ca -0.13 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 9xia n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 9xia s VAL 51 N -2.04 0.88 0.21 1.61 -7.23 -0.42 -2.75 120.40 110.66 9xia s VAL 51 Ca 0.26 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.43 9xia s VAL 51 Cb -0.01 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 9xia s VAL 51 CO -0.00 -0.33 0.03 0.42 -0.31 0.00 0.00 175.10 174.91 9xia s THR 52 N -3.52 0.68 0.04 5.32 -4.23 -0.73 -3.95 115.64 109.25 9xia s THR 52 Ca 0.28 -1.99 -0.24 0.00 -1.18 0.00 0.00 61.69 58.56 9xia s THR 52 Cb 0.06 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.64 9xia s THR 52 CO 0.08 -0.30 0.57 0.72 -0.54 0.00 0.00 174.62 175.15 9xia s PHE 53 N -3.66 -0.50 0.13 3.99 -0.12 -1.24 -0.94 117.98 115.64 9xia s PHE 53 Ca 0.29 0.59 -0.05 0.00 -0.05 0.00 0.00 56.93 57.71 9xia s PHE 53 Cb 0.07 0.39 -0.06 0.00 -0.63 0.00 0.00 43.02 42.79 9xia s PHE 53 CO 0.08 -0.67 0.37 -1.01 -0.05 0.00 0.00 175.22 173.94 9xia s HIS 54 N -2.38 3.49 0.23 3.49 3.76 -1.26 -1.15 115.29 121.46 9xia s HIS 54 Ca -0.06 0.57 -0.11 0.00 -0.15 0.00 0.00 55.06 55.31 9xia s HIS 54 Cb -0.01 -2.02 0.31 0.00 1.11 0.00 0.00 32.58 31.98 9xia s HIS 54 CO -0.01 0.45 1.61 0.38 -0.85 0.00 0.00 174.74 176.32 9xia h ASP 55 N 2.94 -0.65 0.55 1.40 2.03 -1.79 0.18 116.42 121.08 9xia h ASP 55 Ca -0.46 0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 9xia h ASP 55 Cb 1.17 0.44 0.00 0.00 -0.83 0.00 0.00 39.33 40.11 9xia h ASP 55 CO 0.72 -0.24 0.00 0.47 -1.03 0.00 0.00 179.24 179.16 9xia n ASP 56 N -5.47 0.00 0.06 4.15 9.92 -1.26 -1.12 116.55 122.83 9xia n ASP 56 Ca 0.10 0.40 -0.09 0.00 -0.53 0.00 0.00 54.79 54.67 9xia n ASP 56 Cb 0.38 -0.45 -0.12 0.00 -0.64 0.00 0.00 41.12 40.29 9xia n ASP 56 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 9xia h ASP 57 N 0.00 0.07 0.05 -2.24 3.45 -1.03 -3.38 116.42 113.34 9xia h ASP 57 Ca 0.00 -0.08 -0.23 0.00 0.43 0.00 0.00 57.03 57.15 9xia h ASP 57 Cb 0.28 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 9xia h ASP 57 CO 0.00 1.06 -1.25 0.25 -1.57 0.00 0.00 179.24 177.73 9xia h LEU 58 N 0.01 0.16 -7.96 1.55 5.85 -1.37 -3.45 115.31 110.10 9xia h LEU 58 Ca -0.05 -0.72 -0.68 0.00 0.84 0.00 0.00 57.88 57.27 9xia h LEU 58 Cb 1.82 -0.05 -0.35 0.00 0.37 0.00 0.00 40.66 42.45 9xia h LEU 58 CO 0.14 1.52 -0.74 -0.63 -0.34 0.00 0.00 178.44 178.38 9xia s ILE 59 N -2.40 2.63 0.10 4.05 1.01 -0.27 -4.88 121.20 121.44 9xia s ILE 59 Ca -0.24 -1.51 -0.36 0.00 0.00 0.00 0.00 60.65 58.53 9xia s ILE 59 Cb 0.05 -2.53 -0.16 0.00 0.01 0.00 0.00 42.46 39.82 9xia s ILE 59 CO 0.68 -0.08 1.36 -2.65 0.00 0.00 0.00 174.94 174.24 9xia n PRO 60 N 4.54 1.26 -1.57 2.79 -0.02 -1.26 -4.18 135.00 136.56 9xia n PRO 60 Ca -0.13 0.46 -0.47 0.00 -2.02 0.00 0.00 63.50 61.33 9xia n PRO 60 Cb 0.43 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 9xia n PRO 60 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 9xia n PHE 61 N 2.57 1.19 -0.46 6.00 7.35 -1.26 -1.67 117.46 131.19 9xia n PHE 61 Ca 0.18 0.70 0.00 0.00 -0.76 0.00 0.00 57.45 57.57 9xia n PHE 61 Cb 0.20 -2.25 0.00 0.00 0.35 0.00 0.00 39.48 37.78 9xia n PHE 61 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 9xia n GLY 62 N 1.74 1.22 3.67 7.13 0.00 -1.26 -5.03 105.19 112.65 9xia n GLY 62 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 9xia n GLY 62 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 9xia n SER 63 N 0.00 2.21 -4.85 1.61 7.64 -0.67 -4.99 113.62 114.57 9xia n SER 63 Ca 0.00 1.15 -0.31 0.00 1.01 0.00 0.00 58.87 60.72 9xia n SER 63 Cb 0.00 -1.43 0.02 0.00 -1.01 0.00 0.00 64.21 61.79 9xia n SER 63 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 9xia s SER 64 N -0.47 5.91 0.53 6.43 1.04 -1.26 -4.80 113.70 121.08 9xia s SER 64 Ca 0.58 1.50 0.28 0.00 0.48 0.00 0.00 55.95 58.80 9xia s SER 64 Cb -0.58 -2.48 1.43 0.00 0.10 0.00 0.00 66.02 64.49 9xia s SER 64 CO 0.60 -1.08 1.93 0.44 0.98 0.00 0.00 173.24 176.11 9xia h ASP 65 N -0.44 0.02 0.02 7.02 5.19 -1.99 0.27 116.42 126.51 9xia h ASP 65 Ca -0.44 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.97 9xia h ASP 65 Cb 1.20 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 9xia h ASP 65 CO 0.60 0.01 -0.01 -1.28 -3.12 0.00 0.00 179.24 175.44 9xia h SER 66 N 0.02 -0.02 -0.29 6.45 0.87 -2.00 -2.29 113.55 116.28 9xia h SER 66 Ca 0.36 -0.47 -0.11 0.00 -1.23 0.00 0.00 61.79 60.33 9xia h SER 66 Cb 1.40 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 9xia h SER 66 CO -0.01 0.47 -0.21 -0.33 -0.53 0.00 0.00 176.83 176.22 9xia h GLU 67 N -0.51 0.77 0.04 2.24 5.08 -1.38 -2.91 114.58 117.90 9xia h GLU 67 Ca -0.00 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.08 9xia h GLU 67 Cb 0.49 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 9xia h GLU 67 CO 0.00 0.92 -0.48 0.00 -1.00 0.00 0.00 179.01 178.44 9xia h ARG 68 N 0.67 -0.63 -0.99 2.33 3.08 -1.06 -0.86 114.38 116.92 9xia h ARG 68 Ca 0.10 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.32 9xia h ARG 68 Cb 0.72 0.14 -0.09 0.00 0.08 0.00 0.00 29.97 30.82 9xia h ARG 68 CO 0.06 -0.42 0.61 1.49 -1.07 0.00 0.00 179.97 180.64 9xia h GLU 69 N -0.66 0.90 -0.53 0.04 4.81 -1.35 -0.69 114.58 117.10 9xia h GLU 69 Ca 0.02 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 9xia h GLU 69 Cb 0.71 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 9xia h GLU 69 CO -0.32 0.60 -0.09 1.49 -0.73 0.00 0.00 179.01 179.95 9xia h GLU 70 N 0.93 1.01 -0.49 1.92 4.81 -1.22 -0.54 114.58 121.00 9xia h GLU 70 Ca 0.51 -0.37 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 9xia h GLU 70 Cb 0.56 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 9xia h GLU 70 CO -0.29 1.05 -0.19 0.45 -0.73 0.00 0.00 179.01 179.30 9xia h HIS 71 N 0.88 1.13 0.10 0.92 3.86 0.21 -2.36 115.15 119.88 9xia h HIS 71 Ca 0.14 -0.27 -0.00 0.00 -1.16 0.00 0.00 60.37 59.08 9xia h HIS 71 Cb 0.65 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.86 9xia h HIS 71 CO 0.05 1.09 -0.05 0.28 0.86 0.00 0.00 177.93 180.16 9xia h VAL 72 N 0.84 1.05 -0.31 2.45 2.07 -1.06 -2.46 116.25 118.85 9xia h VAL 72 Ca 0.11 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.14 9xia h VAL 72 Cb 0.77 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 9xia h VAL 72 CO 0.06 0.14 -0.08 0.50 0.02 0.00 0.00 177.57 178.21 9xia h LYS 73 N -0.39 -0.01 -0.97 1.57 3.64 -1.08 0.08 116.57 119.42 9xia h LYS 73 Ca -0.01 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 9xia h LYS 73 Cb 0.32 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 9xia h LYS 73 CO 0.02 -0.01 0.63 0.00 -2.27 0.00 0.00 179.45 177.82 9xia h ARG 74 N -0.01 1.14 -0.06 1.90 3.08 -1.42 -0.52 114.38 118.48 9xia h ARG 74 Ca 0.15 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 9xia h ARG 74 Cb 0.24 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 9xia h ARG 74 CO -0.32 0.75 -0.01 0.35 -1.07 0.00 0.00 179.97 179.67 9xia h PHE 75 N 1.17 0.14 -0.85 3.04 3.57 -0.83 -2.20 116.94 120.98 9xia h PHE 75 Ca 0.40 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.99 9xia h PHE 75 Cb 0.09 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.71 9xia h PHE 75 CO -0.00 0.45 0.48 -0.09 -2.23 0.00 0.00 178.31 176.91 9xia h ARG 76 N -0.21 0.73 -0.66 1.11 9.65 -0.77 0.17 114.38 124.40 9xia h ARG 76 Ca 0.02 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.77 9xia h ARG 76 Cb 0.40 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.79 9xia h ARG 76 CO 0.01 0.48 0.09 0.37 2.80 0.00 0.00 179.97 183.72 9xia h GLN 77 N 0.75 1.11 -0.13 0.20 5.75 -0.99 -1.13 115.11 120.68 9xia h GLN 77 Ca 0.43 -0.31 -0.11 0.00 -0.15 0.00 0.00 58.65 58.52 9xia h GLN 77 Cb 0.48 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 9xia h GLN 77 CO -0.29 1.02 -0.40 0.00 -2.65 0.00 0.00 178.83 176.51 9xia h ALA 78 N 1.05 1.09 -0.52 3.38 0.00 -0.37 0.27 119.26 124.16 9xia h ALA 78 Ca 0.20 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 9xia h ALA 78 Cb 0.47 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 9xia h ALA 78 CO 0.02 0.59 -0.10 -0.07 0.00 0.00 0.00 179.25 179.69 9xia h LEU 79 N 0.23 0.98 -0.82 0.00 3.38 -0.97 -2.15 115.31 115.96 9xia h LEU 79 Ca 0.02 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.55 9xia h LEU 79 Cb 0.82 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 9xia h LEU 79 CO 0.06 1.10 -0.14 0.44 0.09 0.00 0.00 178.44 180.00 9xia h ASP 80 N 0.84 0.72 0.71 -0.43 3.45 -0.82 0.22 116.42 121.12 9xia h ASP 80 Ca 0.13 -0.22 -0.08 0.00 0.43 0.00 0.00 57.03 57.29 9xia h ASP 80 Cb 0.66 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 9xia h ASP 80 CO 0.05 0.88 -0.37 0.44 -1.57 0.00 0.00 179.24 178.67 9xia h ASP 81 N 0.66 0.00 0.00 6.45 3.32 -0.71 -3.31 116.42 122.82 9xia h ASP 81 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 9xia h ASP 81 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 9xia h ASP 81 CO 0.04 0.37 -0.84 0.35 -1.72 0.00 0.00 179.24 177.44 9xia n THR 82 N -3.64 0.00 -0.94 0.35 -2.24 -0.83 -5.00 114.28 101.98 9xia n THR 82 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 9xia n THR 82 Cb 0.47 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 9xia n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 9xia n GLY 83 N 1.48 0.49 3.78 3.38 0.00 0.75 -5.04 105.19 110.04 9xia n GLY 83 Ca 0.01 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 9xia n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 9xia s MET 84 N -0.73 4.34 0.48 1.61 -1.94 -1.15 -4.97 119.30 116.94 9xia s MET 84 Ca 0.00 1.49 0.07 0.00 -1.71 0.00 0.00 55.69 55.53 9xia s MET 84 Cb 0.00 -2.69 0.01 0.00 2.01 0.00 0.00 34.83 34.16 9xia s MET 84 CO 0.00 0.03 0.38 0.15 -0.01 0.00 0.00 175.02 175.57 9xia s LYS 85 N -2.26 2.35 -0.45 2.03 -0.14 -0.96 -4.78 119.74 115.54 9xia s LYS 85 Ca 0.54 -1.80 0.02 0.00 -1.36 0.00 0.00 55.97 53.37 9xia s LYS 85 Cb -0.22 -2.21 0.14 0.00 -1.68 0.00 0.00 37.83 33.86 9xia s LYS 85 CO 0.28 -0.40 0.26 0.08 -0.76 0.00 0.00 175.35 174.80 9xia s VAL 86 N -2.63 1.35 -0.62 3.17 1.01 -1.26 -1.31 120.40 120.11 9xia s VAL 86 Ca 0.42 -2.61 0.25 0.00 0.00 0.00 0.00 61.98 60.04 9xia s VAL 86 Cb -0.02 -1.94 0.29 0.00 0.00 0.00 0.00 36.38 34.71 9xia s VAL 86 CO 0.25 -0.93 1.69 -0.65 0.00 0.00 0.00 175.10 175.46 9xia h PRO 87 N 6.61 0.00 -3.16 2.72 0.11 -1.85 -2.80 132.00 133.63 9xia h PRO 87 Ca 0.02 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.00 9xia h PRO 87 Cb 0.92 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 31.82 9xia h PRO 87 CO 0.48 0.00 -0.35 1.41 -0.21 0.00 0.00 178.00 179.32 9xia s MET 88 N -3.14 0.56 0.09 1.05 -2.45 -1.26 -1.25 119.30 112.89 9xia s MET 88 Ca 0.09 -0.14 -0.00 0.00 -1.25 0.00 0.00 55.69 54.39 9xia s MET 88 Cb 0.10 0.25 -0.04 0.00 1.25 0.00 0.00 34.83 36.38 9xia s MET 88 CO 0.63 -0.14 -0.02 0.00 1.05 0.00 0.00 175.02 176.54 9xia s ALA 89 N -1.06 0.77 0.30 4.11 0.00 -1.02 -3.74 121.76 121.12 9xia s ALA 89 Ca -0.11 -1.33 -0.16 0.00 0.00 0.00 0.00 51.96 50.35 9xia s ALA 89 Cb -0.05 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.48 9xia s ALA 89 CO 0.03 -0.36 0.66 -0.08 0.00 0.00 0.00 175.76 176.01 9xia s THR 90 N -3.85 0.00 -0.08 0.00 -1.32 -0.30 -0.60 115.64 109.49 9xia s THR 90 Ca 0.13 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 9xia s THR 90 Cb 0.07 -2.30 -0.03 0.00 -1.51 0.00 0.00 72.50 68.73 9xia s THR 90 CO -0.05 0.00 -0.06 -0.89 -2.21 0.00 0.00 174.62 171.41 9xia s THR 91 N -3.51 3.82 -0.62 5.08 2.01 -1.26 -2.20 115.64 118.96 9xia s THR 91 Ca 0.16 -0.43 -0.23 0.00 0.31 0.00 0.00 61.69 61.50 9xia s THR 91 Cb -0.04 -2.57 0.06 0.00 0.01 0.00 0.00 72.50 69.96 9xia s THR 91 CO 0.10 0.59 0.95 0.21 -0.69 0.00 0.00 174.62 175.78 9xia s ASN 92 N -0.75 6.22 -0.34 3.53 3.84 -1.26 -4.82 114.94 121.35 9xia s ASN 92 Ca 0.11 -0.81 0.06 0.00 0.21 0.00 0.00 52.86 52.44 9xia s ASN 92 Cb -0.11 -2.42 0.46 0.00 -0.55 0.00 0.00 41.25 38.63 9xia s ASN 92 CO 0.02 -1.37 1.36 0.18 -2.79 0.00 0.00 177.10 174.50 9xia n LEU 93 N 7.61 4.97 0.00 3.21 4.77 -1.26 -4.74 117.00 131.55 9xia n LEU 93 Ca -0.02 -4.44 0.00 0.00 -0.03 0.00 0.00 56.01 51.51 9xia n LEU 93 Cb 0.46 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 9xia n LEU 93 CO 0.64 1.81 -0.05 2.22 -1.33 0.00 0.00 177.39 180.67 9xia n PHE 94 N -0.85 0.00 -0.03 -1.77 1.16 -1.26 -4.48 117.46 110.22 9xia n PHE 94 Ca 0.42 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.88 9xia n PHE 94 Cb 0.90 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.67 9xia n PHE 94 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 9xia h THR 95 N 0.00 1.41 -3.40 1.97 2.02 -1.94 -3.46 112.91 109.51 9xia h THR 95 Ca 0.00 -1.77 -0.55 0.00 0.77 0.00 0.00 66.41 64.87 9xia h THR 95 Cb 0.08 2.53 0.10 0.00 -1.74 0.00 0.00 68.15 69.12 9xia h THR 95 CO 0.00 0.43 0.76 1.57 0.37 0.00 0.00 175.52 178.65 9xia n HIS 96 N -4.73 2.73 0.08 3.16 -0.00 -1.26 -4.87 115.22 110.32 9xia n HIS 96 Ca -0.09 0.37 0.21 0.00 0.46 0.00 0.00 57.72 58.68 9xia n HIS 96 Cb 0.35 -2.54 0.72 0.00 -0.12 0.00 0.00 29.99 28.41 9xia n HIS 96 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 9xia h PRO 97 N 3.86 0.00 0.00 1.57 0.11 -2.02 0.14 132.00 135.66 9xia h PRO 97 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 9xia h PRO 97 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 9xia h PRO 97 CO 0.72 0.00 -0.02 -0.24 -0.21 0.00 0.00 178.00 178.25 9xia h VAL 98 N 0.00 0.63 -0.40 3.15 3.04 -1.96 -1.17 116.25 119.55 9xia h VAL 98 Ca 0.21 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.82 9xia h VAL 98 Cb 1.22 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.55 9xia h VAL 98 CO -0.00 0.02 0.00 0.49 -1.01 0.00 0.00 177.57 177.07 9xia n PHE 99 N -3.96 0.91 0.03 3.17 0.99 0.50 -4.56 117.46 114.54 9xia n PHE 99 Ca -0.03 -0.36 0.21 0.00 -0.00 0.00 0.00 57.45 57.27 9xia n PHE 99 Cb 0.10 -0.17 0.73 0.00 -1.00 0.00 0.00 39.48 39.15 9xia n PHE 99 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.76 178.33 9xia h LYS 100 N 2.51 0.00 -0.25 -1.08 2.10 -1.36 0.29 116.57 118.78 9xia h LYS 100 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 9xia h LYS 100 Cb 0.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 9xia h LYS 100 CO 0.14 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.12 9xia n ASP 101 N -4.06 3.26 0.00 7.07 4.64 -1.26 -5.04 116.55 121.16 9xia n ASP 101 Ca 0.09 -2.56 0.00 0.00 -1.38 0.00 0.00 54.79 50.95 9xia n ASP 101 Cb 0.63 -0.38 0.00 0.00 -1.04 0.00 0.00 41.12 40.34 9xia n ASP 101 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 9xia n GLY 102 N -0.18 1.18 0.00 0.27 0.00 0.09 -3.83 105.19 102.72 9xia n GLY 102 Ca 0.16 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.91 9xia n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9xia n GLY 103 N -0.84 -0.01 0.26 -0.02 0.00 -1.26 -4.29 105.19 99.03 9xia n GLY 103 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 9xia n GLY 103 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 9xia h PHE 104 N 0.00 0.00 -0.06 1.61 0.04 -1.90 -3.06 116.94 113.57 9xia h PHE 104 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 9xia h PHE 104 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 9xia h PHE 104 CO 0.00 0.08 -0.07 0.25 -0.60 0.00 0.00 178.31 177.96 9xia n THR 105 N -3.21 2.04 -1.83 -1.55 -2.24 -1.26 -4.45 114.28 101.78 9xia n THR 105 Ca 0.00 -2.37 -0.38 0.00 -2.27 0.00 0.00 64.05 59.04 9xia n THR 105 Cb 0.35 -0.25 0.04 0.00 -2.10 0.00 0.00 70.33 68.38 9xia n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 9xia s ALA 106 N -2.94 2.71 0.27 6.98 0.00 -1.16 -4.83 121.76 122.79 9xia s ALA 106 Ca 0.35 1.25 -0.01 0.00 0.00 0.00 0.00 51.96 53.56 9xia s ALA 106 Cb 0.31 -3.54 0.37 0.00 0.00 0.00 0.00 23.12 20.26 9xia s ALA 106 CO 0.02 -1.35 1.78 -0.91 0.00 0.00 0.00 175.76 175.31 9xia h ASN 107 N 1.26 0.74 -3.03 0.00 2.35 -1.93 -3.41 115.58 111.55 9xia h ASN 107 Ca -0.51 -0.16 -0.56 0.00 -0.55 0.00 0.00 56.30 54.52 9xia h ASN 107 Cb 1.30 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.45 9xia h ASN 107 CO 0.56 0.79 0.77 -1.81 -1.65 0.00 0.00 177.43 176.09 9xia s ASP 108 N -6.64 7.03 0.29 5.81 -0.00 -1.26 -4.93 116.67 116.97 9xia s ASP 108 Ca -0.09 1.73 -0.02 0.00 -0.00 0.00 0.00 52.55 54.17 9xia s ASP 108 Cb 0.15 -2.55 0.42 0.00 -0.00 0.00 0.00 42.92 40.94 9xia s ASP 108 CO 0.80 -0.64 1.91 -0.09 -0.00 0.00 0.00 175.17 177.15 9xia h ARG 109 N 7.70 0.99 -0.94 8.23 2.43 -2.00 -2.68 114.38 128.10 9xia h ARG 109 Ca -0.30 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 58.79 9xia h ARG 109 Cb 1.13 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 30.43 9xia h ARG 109 CO 0.92 0.74 0.61 0.38 -1.51 0.00 0.00 179.97 181.11 9xia h ASP 110 N 1.00 1.01 -0.50 -3.80 -0.00 -1.95 -1.79 116.42 110.38 9xia h ASP 110 Ca 0.25 -0.00 -0.09 0.00 -0.00 0.00 0.00 57.03 57.19 9xia h ASP 110 Cb 0.04 -0.22 -0.02 0.00 -0.00 0.00 0.00 39.33 39.13 9xia h ASP 110 CO -0.04 0.68 -0.04 0.58 -0.00 0.00 0.00 179.24 180.42 9xia h VAL 111 N 1.17 1.27 -0.69 4.15 2.07 -1.85 -1.91 116.25 120.45 9xia h VAL 111 Ca 0.38 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.75 9xia h VAL 111 Cb 0.04 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 9xia h VAL 111 CO -0.13 0.40 0.43 0.03 0.02 0.00 0.00 177.57 178.33 9xia h ARG 112 N 0.78 0.93 -0.44 1.57 3.08 -1.16 0.14 114.38 119.27 9xia h ARG 112 Ca 0.14 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 9xia h ARG 112 Cb 0.58 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 9xia h ARG 112 CO 0.03 0.64 0.07 0.00 -1.07 0.00 0.00 179.97 179.65 9xia h ARG 113 N 0.94 0.73 -0.41 0.04 3.08 -1.20 -2.62 114.38 114.94 9xia h ARG 113 Ca 0.25 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 60.11 9xia h ARG 113 Cb -0.06 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 9xia h ARG 113 CO -0.05 0.75 0.26 -0.92 -1.07 0.00 0.00 179.97 178.95 9xia h TYR 114 N 0.59 0.49 -0.80 3.04 3.20 -1.06 -1.27 116.97 121.17 9xia h TYR 114 Ca 0.13 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.12 9xia h TYR 114 Cb 0.38 -0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.41 9xia h TYR 114 CO 0.03 0.30 0.43 0.00 -1.64 0.00 0.00 178.16 177.28 9xia h ALA 115 N 1.16 1.14 -0.43 1.82 0.00 -0.47 0.44 119.26 122.92 9xia h ALA 115 Ca 0.16 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 9xia h ALA 115 Cb -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 9xia h ALA 115 CO -0.05 0.02 -0.01 -0.07 0.00 0.00 0.00 179.25 179.14 9xia h LEU 116 N 0.71 0.76 -0.63 0.00 3.38 -1.11 -1.87 115.31 116.55 9xia h LEU 116 Ca 0.40 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 9xia h LEU 116 Cb 0.42 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 9xia h LEU 116 CO -0.28 0.89 0.12 0.03 0.09 0.00 0.00 178.44 179.30 9xia h ARG 117 N 0.61 1.02 -0.59 1.13 2.47 -0.60 -0.79 114.38 117.64 9xia h ARG 117 Ca 0.12 -0.27 -0.09 0.00 -1.26 0.00 0.00 59.98 58.49 9xia h ARG 117 Cb 0.51 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 9xia h ARG 117 CO 0.02 0.95 0.02 -0.22 0.56 0.00 0.00 179.97 181.30 9xia h LYS 118 N 0.94 1.01 -0.01 0.04 3.64 -0.86 -2.45 116.57 118.87 9xia h LYS 118 Ca 0.19 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 9xia h LYS 118 Cb 0.41 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 9xia h LYS 118 CO 0.01 0.98 0.00 1.15 -2.27 0.00 0.00 179.45 179.32 9xia h THR 119 N 0.93 1.20 -0.94 1.00 2.02 -1.10 -3.04 112.91 112.98 9xia h THR 119 Ca 0.17 -0.59 0.03 0.00 0.77 0.00 0.00 66.41 66.79 9xia h THR 119 Cb 0.51 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 68.45 9xia h THR 119 CO 0.02 0.16 0.62 0.40 0.37 0.00 0.00 175.52 177.09 9xia h ILE 120 N -0.23 1.19 -0.87 3.11 2.04 -1.05 -1.36 117.51 120.33 9xia h ILE 120 Ca 0.00 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 9xia h ILE 120 Cb 0.25 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 9xia h ILE 120 CO 0.00 0.22 0.49 -0.09 0.00 0.00 0.00 178.15 178.77 9xia h ARG 121 N 1.21 1.21 -0.01 2.37 2.43 -1.44 -2.54 114.38 117.61 9xia h ARG 121 Ca 0.36 -0.13 -0.16 0.00 -0.81 0.00 0.00 59.98 59.24 9xia h ARG 121 Cb -0.04 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.25 9xia h ARG 121 CO -0.10 0.88 -0.72 -0.97 -1.51 0.00 0.00 179.97 177.55 9xia h ASN 122 N 1.22 0.12 -0.39 -3.80 -1.24 -1.17 -2.72 115.58 107.59 9xia h ASN 122 Ca 0.31 -0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 9xia h ASN 122 Cb 0.01 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 9xia h ASN 122 CO -0.05 0.80 0.22 0.40 -1.29 0.00 0.00 177.43 177.50 9xia h ILE 123 N 0.06 1.15 -0.55 2.57 2.04 -0.88 0.16 117.51 122.06 9xia h ILE 123 Ca -0.02 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.50 9xia h ILE 123 Cb 1.28 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 9xia h ILE 123 CO 0.10 0.15 0.30 0.44 0.00 0.00 0.00 178.15 179.15 9xia h ASP 124 N 0.50 0.46 -0.44 1.72 3.32 -1.45 -0.82 116.42 119.71 9xia h ASP 124 Ca 0.14 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 9xia h ASP 124 Cb 0.06 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 9xia h ASP 124 CO -0.02 0.32 0.07 0.25 -1.72 0.00 0.00 179.24 178.13 9xia h LEU 125 N 0.59 0.70 -0.49 1.55 5.85 -1.12 -1.87 115.31 120.52 9xia h LEU 125 Ca 0.24 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.72 9xia h LEU 125 Cb 0.10 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 9xia h LEU 125 CO -0.14 0.79 0.29 0.00 -0.34 0.00 0.00 178.44 179.03 9xia h ALA 126 N 0.94 0.62 -0.37 1.25 0.00 -0.08 -1.58 119.26 120.04 9xia h ALA 126 Ca 0.13 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.07 9xia h ALA 126 Cb 0.39 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 9xia h ALA 126 CO 0.01 -0.02 0.17 0.28 0.00 0.00 0.00 179.25 179.69 9xia h VAL 127 N 0.58 0.95 -0.94 0.00 2.07 -1.06 -0.37 116.25 117.47 9xia h VAL 127 Ca 0.20 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.67 9xia h VAL 127 Cb 0.02 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 9xia h VAL 127 CO -0.09 0.06 0.59 -0.08 0.02 0.00 0.00 177.57 178.07 9xia h GLU 128 N 0.34 1.02 -0.01 1.57 4.81 -0.76 -1.84 114.58 119.72 9xia h GLU 128 Ca 0.16 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 9xia h GLU 128 Cb 0.09 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.24 9xia h GLU 128 CO -0.13 0.68 0.00 1.28 -0.73 0.00 0.00 179.01 180.10 9xia n LEU 129 N -4.58 0.52 0.00 1.64 4.77 -0.65 -4.93 117.00 113.78 9xia n LEU 129 Ca 0.15 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 9xia n LEU 129 Cb 0.21 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 9xia n LEU 129 CO 0.31 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 9xia n GLY 130 N 1.06 0.74 3.76 -0.72 0.00 -0.69 -4.47 105.19 104.87 9xia n GLY 130 Ca 0.22 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 9xia n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9xia s ALA 131 N -2.00 3.05 -0.28 4.61 0.00 -0.21 -4.74 121.76 122.19 9xia s ALA 131 Ca 0.00 1.13 0.17 0.00 0.00 0.00 0.00 51.96 53.26 9xia s ALA 131 Cb 0.00 -3.46 -0.24 0.00 0.00 0.00 0.00 23.12 19.42 9xia s ALA 131 CO 0.00 -0.87 0.49 0.39 0.00 0.00 0.00 175.76 175.77 9xia n GLU 132 N -0.35 0.84 -4.55 0.00 4.71 -0.38 -4.62 120.64 116.30 9xia n GLU 132 Ca 0.06 -0.10 -0.22 0.00 -0.01 0.00 0.00 57.16 56.89 9xia n GLU 132 Cb 0.46 -1.37 -0.14 0.00 -1.01 0.00 0.00 31.44 29.37 9xia n GLU 132 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 9xia s THR 133 N -2.99 1.15 -0.21 2.62 2.01 -1.02 -1.81 115.64 115.39 9xia s THR 133 Ca -0.02 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.21 9xia s THR 133 Cb 0.12 -0.99 0.04 0.00 0.01 0.00 0.00 72.50 71.67 9xia s THR 133 CO 0.71 0.20 -0.12 -0.47 -0.69 0.00 0.00 174.62 174.25 9xia s TYR 134 N -0.54 2.69 0.17 4.92 5.04 0.26 -2.43 117.35 127.46 9xia s TYR 134 Ca 0.04 -1.78 -0.08 0.00 -2.44 0.00 0.00 57.07 52.81 9xia s TYR 134 Cb -0.07 -1.76 -0.06 0.00 0.35 0.00 0.00 41.96 40.42 9xia s TYR 134 CO 0.00 -0.79 0.46 0.08 -1.34 0.00 0.00 175.55 173.97 9xia s VAL 135 N 1.30 5.04 -0.17 3.14 1.01 0.23 -1.00 120.40 129.95 9xia s VAL 135 Ca -0.02 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.29 9xia s VAL 135 Cb -0.16 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.62 9xia s VAL 135 CO -0.08 0.05 -0.08 0.00 0.00 0.00 0.00 175.10 174.98 9xia s ALA 136 N -1.67 1.70 -0.32 5.51 0.00 -0.46 -4.12 121.76 122.40 9xia s ALA 136 Ca 0.42 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 9xia s ALA 136 Cb -0.12 -1.15 0.06 0.00 0.00 0.00 0.00 23.12 21.90 9xia s ALA 136 CO 0.22 -0.71 0.04 -0.46 0.00 0.00 0.00 175.76 174.84 9xia s TRP 137 N 1.54 3.32 -1.29 0.00 -0.00 -1.26 -1.00 118.94 120.25 9xia s TRP 137 Ca 0.01 -1.91 -0.10 0.00 -0.00 0.00 0.00 56.10 54.09 9xia s TRP 137 Cb -0.15 -2.30 0.16 0.00 -0.00 0.00 0.00 33.47 31.17 9xia s TRP 137 CO -0.08 -0.82 1.85 0.41 -0.00 0.00 0.00 176.95 178.31 9xia n GLY 138 N 4.64 4.54 0.27 5.86 0.00 -1.26 -4.78 105.19 114.46 9xia n GLY 138 Ca -0.11 -2.03 0.15 0.00 0.00 0.00 0.00 46.02 44.02 9xia n GLY 138 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 9xia h GLY 139 N 8.34 0.00 -2.13 -0.02 0.00 -1.93 -2.71 103.07 104.62 9xia h GLY 139 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 9xia h GLY 139 CO 1.60 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.68 9xia n ARG 140 N -3.44 2.39 -2.91 4.80 5.12 -1.26 -3.99 116.66 117.37 9xia n ARG 140 Ca -0.01 -2.14 -0.43 0.00 -1.93 0.00 0.00 57.85 53.34 9xia n ARG 140 Cb 0.25 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 30.01 9xia n ARG 140 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 9xia s GLU 141 N -1.63 3.34 0.00 5.56 0.41 -1.02 -3.01 118.70 122.34 9xia s GLU 141 Ca 0.34 -0.26 0.00 0.00 -0.41 0.00 0.00 54.97 54.64 9xia s GLU 141 Cb 0.21 -4.01 0.00 0.00 -1.78 0.00 0.00 34.13 28.55 9xia s GLU 141 CO 0.30 -1.32 0.00 0.41 -0.49 0.00 0.00 175.26 174.17 9xia n GLY 142 N 5.07 -0.36 3.63 -1.39 0.00 -1.26 -0.89 105.19 109.99 9xia n GLY 142 Ca 0.01 -0.88 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 9xia n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9xia s ALA 143 N -1.00 -1.76 -0.49 4.61 0.00 -0.71 -4.90 121.76 117.52 9xia s ALA 143 Ca 0.00 0.57 0.14 0.00 0.00 0.00 0.00 51.96 52.67 9xia s ALA 143 Cb 0.00 0.52 -0.17 0.00 0.00 0.00 0.00 23.12 23.47 9xia s ALA 143 CO 0.00 -0.87 0.52 0.39 0.00 0.00 0.00 175.76 175.80 9xia n GLU 144 N -0.36 1.87 -4.02 0.00 4.71 -1.26 -1.35 120.64 120.22 9xia n GLU 144 Ca -0.07 -0.04 -0.08 0.00 -0.01 0.00 0.00 57.16 56.96 9xia n GLU 144 Cb 0.61 -1.21 -0.10 0.00 -1.01 0.00 0.00 31.44 29.73 9xia n GLU 144 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 9xia s SER 145 N -2.68 0.34 0.23 1.62 1.04 -1.26 -4.94 113.70 108.06 9xia s SER 145 Ca 0.02 -0.71 -0.06 0.00 0.48 0.00 0.00 55.95 55.69 9xia s SER 145 Cb 0.10 0.15 0.23 0.00 0.10 0.00 0.00 66.02 66.61 9xia s SER 145 CO 0.58 -0.44 1.80 1.23 0.98 0.00 0.00 173.24 177.39 9xia h GLY 146 N 3.95 1.20 1.98 7.32 0.00 -1.95 -3.20 103.07 112.37 9xia h GLY 146 Ca -0.33 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.36 9xia h GLY 146 CO 0.52 0.61 -0.02 -1.33 0.00 0.00 0.00 176.54 176.32 9xia h GLY 147 N 1.13 0.00 2.00 4.60 0.00 -2.04 -3.35 103.07 105.41 9xia h GLY 147 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 9xia h GLY 147 CO -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 176.41 9xia h ALA 148 N 2.33 1.11 -3.27 3.60 0.00 -1.99 -3.43 119.26 117.61 9xia h ALA 148 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 9xia h ALA 148 Cb 0.84 -0.02 -0.36 0.00 0.00 0.00 0.00 17.79 18.25 9xia h ALA 148 CO 0.00 0.13 -0.69 0.21 0.00 0.00 0.00 179.25 178.90 9xia s LYS 149 N -3.91 -0.02 -0.32 0.00 2.47 -1.26 -5.00 119.74 111.71 9xia s LYS 149 Ca -0.01 0.40 -0.23 0.00 -1.56 0.00 0.00 55.97 54.57 9xia s LYS 149 Cb 0.11 -0.35 0.00 0.00 -1.46 0.00 0.00 37.83 36.13 9xia s LYS 149 CO 0.57 -0.28 0.77 0.34 0.16 0.00 0.00 175.35 176.91 9xia s ASP 150 N 1.90 6.62 0.30 1.43 2.15 -1.26 -4.94 116.67 122.86 9xia s ASP 150 Ca 0.00 0.56 -0.00 0.00 0.43 0.00 0.00 52.55 53.54 9xia s ASP 150 Cb -0.12 -2.39 0.45 0.00 -0.30 0.00 0.00 42.92 40.56 9xia s ASP 150 CO -0.04 -0.62 1.87 0.58 -0.17 0.00 0.00 175.17 176.78 9xia h VAL 151 N 5.63 1.21 -0.46 1.11 2.07 -1.98 0.35 116.25 124.17 9xia h VAL 151 Ca -0.25 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 9xia h VAL 151 Cb 1.10 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 9xia h VAL 151 CO 0.88 0.27 0.11 0.03 0.02 0.00 0.00 177.57 178.88 9xia h ARG 152 N 0.81 0.74 -0.30 1.57 3.08 -2.00 0.12 114.38 118.41 9xia h ARG 152 Ca 0.19 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 9xia h ARG 152 Cb 0.20 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 9xia h ARG 152 CO -0.01 0.73 -0.25 -0.44 -1.07 0.00 0.00 179.97 178.93 9xia h ASP 153 N 0.62 0.60 -0.79 7.04 3.45 -1.90 -1.90 116.42 123.54 9xia h ASP 153 Ca 0.15 -0.21 -0.01 0.00 0.43 0.00 0.00 57.03 57.38 9xia h ASP 153 Cb 0.32 -0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 38.89 9xia h ASP 153 CO 0.00 0.83 0.44 0.00 -1.57 0.00 0.00 179.24 178.95 9xia h ALA 154 N 1.21 1.02 -0.22 3.45 0.00 -0.36 -1.28 119.26 123.08 9xia h ALA 154 Ca 0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 9xia h ALA 154 Cb 0.70 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 9xia h ALA 154 CO 0.05 0.52 -0.25 -0.07 0.00 0.00 0.00 179.25 179.51 9xia h LEU 155 N 1.10 0.40 -0.44 0.00 3.38 -0.54 0.29 115.31 119.50 9xia h LEU 155 Ca 0.28 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 9xia h LEU 155 Cb 0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 9xia h LEU 155 CO -0.05 0.65 0.22 0.44 0.09 0.00 0.00 178.44 179.80 9xia h ASP 156 N 0.36 0.57 -0.03 -0.43 3.45 -0.98 0.30 116.42 119.67 9xia h ASP 156 Ca 0.06 -0.12 -0.08 0.00 0.43 0.00 0.00 57.03 57.32 9xia h ASP 156 Cb 0.63 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 9xia h ASP 156 CO 0.05 0.53 -0.19 0.03 -1.57 0.00 0.00 179.24 178.08 9xia h ARG 157 N 0.58 0.39 -0.22 3.56 2.47 -0.64 0.20 114.38 120.72 9xia h ARG 157 Ca 0.15 -0.12 -0.11 0.00 -1.26 0.00 0.00 59.98 58.64 9xia h ARG 157 Cb 0.10 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 9xia h ARG 157 CO -0.02 0.57 -0.30 1.98 0.56 0.00 0.00 179.97 182.76 9xia h MET 158 N 0.36 0.60 -0.23 0.04 4.05 -0.52 -2.11 114.93 117.11 9xia h MET 158 Ca 0.06 -0.35 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 9xia h MET 158 Cb 0.55 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.36 9xia h MET 158 CO 0.04 0.95 0.15 -0.22 0.23 0.00 0.00 176.91 178.05 9xia h LYS 159 N 0.29 0.31 -0.64 0.39 3.64 -0.16 -1.92 116.57 118.48 9xia h LYS 159 Ca 0.03 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 9xia h LYS 159 Cb 0.88 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.56 9xia h LYS 159 CO 0.07 0.22 0.28 1.49 -2.27 0.00 0.00 179.45 179.25 9xia h GLU 160 N 0.30 0.49 0.08 1.90 4.81 -0.47 0.18 114.58 121.87 9xia h GLU 160 Ca 0.08 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 9xia h GLU 160 Cb -0.01 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.26 9xia h GLU 160 CO -0.02 0.32 -0.04 0.00 -0.73 0.00 0.00 179.01 178.55 9xia h ALA 161 N 1.40 -0.10 -0.69 2.92 0.00 -1.22 -0.85 119.26 120.72 9xia h ALA 161 Ca 0.31 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 9xia h ALA 161 Cb 0.34 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 9xia h ALA 161 CO -0.27 -0.49 0.13 0.74 0.00 0.00 0.00 179.25 179.36 9xia h PHE 162 N -0.24 1.20 -0.66 0.00 -1.00 -0.90 -0.58 116.94 114.77 9xia h PHE 162 Ca -0.01 -0.16 -0.03 0.00 2.81 0.00 0.00 57.97 60.58 9xia h PHE 162 Cb 0.20 -0.33 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 9xia h PHE 162 CO -0.03 0.99 0.31 -0.44 -1.61 0.00 0.00 178.31 177.53 9xia h ASP 163 N 1.07 0.87 -0.61 2.17 3.45 -0.53 -1.29 116.42 121.55 9xia h ASP 163 Ca 0.21 -0.14 -0.06 0.00 0.43 0.00 0.00 57.03 57.48 9xia h ASP 163 Cb 0.42 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.94 9xia h ASP 163 CO 0.01 0.77 0.17 -0.07 -1.57 0.00 0.00 179.24 178.55 9xia h LEU 164 N 0.92 0.93 -1.11 1.55 3.38 -0.73 -0.17 115.31 120.09 9xia h LEU 164 Ca 0.23 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 9xia h LEU 164 Cb 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 9xia h LEU 164 CO -0.03 0.89 -0.43 -0.07 0.09 0.00 0.00 178.44 178.89 9xia h LEU 165 N 0.96 0.03 -0.47 1.67 3.38 -0.62 -1.19 115.31 119.06 9xia h LEU 165 Ca 0.21 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.99 9xia h LEU 165 Cb 0.31 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 9xia h LEU 165 CO -0.00 0.46 -0.72 1.23 0.09 0.00 0.00 178.44 179.50 9xia h GLY 166 N 1.29 0.30 0.94 0.83 0.00 -0.75 -1.36 103.07 104.32 9xia h GLY 166 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 9xia h GLY 166 CO 0.06 0.38 0.08 -2.09 0.00 0.00 0.00 176.54 174.96 9xia h GLU 167 N 0.18 0.66 0.43 4.80 4.81 -0.63 -2.65 114.58 122.18 9xia h GLU 167 Ca -0.02 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 9xia h GLU 167 Cb 1.28 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.58 9xia h GLU 167 CO 0.11 0.70 -0.21 -0.92 -0.73 0.00 0.00 179.01 177.96 9xia h TYR 168 N 0.51 -0.54 -0.50 0.92 3.20 -1.04 0.02 116.97 119.54 9xia h TYR 168 Ca 0.12 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.05 9xia h TYR 168 Cb 0.35 0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.74 9xia h TYR 168 CO 0.02 -0.33 0.18 0.28 -1.64 0.00 0.00 178.16 176.68 9xia h VAL 169 N -0.59 0.83 -0.46 1.81 2.07 -1.24 -0.39 116.25 118.28 9xia h VAL 169 Ca -0.06 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 9xia h VAL 169 Cb 0.45 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 9xia h VAL 169 CO 0.10 0.07 -0.00 0.71 0.02 0.00 0.00 177.57 178.46 9xia h THR 170 N 0.36 1.26 -0.55 2.57 1.35 -1.43 -0.51 112.91 115.96 9xia h THR 170 Ca 0.24 -1.06 -0.04 0.00 -0.55 0.00 0.00 66.41 65.00 9xia h THR 170 Cb 0.26 1.04 -0.03 0.00 -1.73 0.00 0.00 68.15 67.69 9xia h THR 170 CO -0.24 0.37 0.18 0.77 -0.25 0.00 0.00 175.52 176.34 9xia h SER 171 N 0.66 0.76 0.55 5.36 4.64 -0.52 -1.18 113.55 123.82 9xia h SER 171 Ca 0.13 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 9xia h SER 171 Cb 0.51 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 9xia h SER 171 CO 0.02 0.71 -0.20 0.00 -0.87 0.00 0.00 176.83 176.50 9xia n GLN 172 N -4.30 0.34 -2.10 4.77 1.13 -0.20 -4.93 117.38 112.09 9xia n GLN 172 Ca 0.04 -0.13 -0.10 0.00 -1.94 0.00 0.00 57.00 54.88 9xia n GLN 172 Cb 0.19 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.04 9xia n GLN 172 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 9xia n GLY 173 N 1.40 0.08 3.83 1.08 0.00 -0.43 -5.00 105.19 106.14 9xia n GLY 173 Ca 0.10 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 9xia n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 9xia s TYR 174 N -2.49 3.38 -1.07 1.61 4.12 -0.33 -5.00 117.35 117.58 9xia s TYR 174 Ca 0.00 1.46 -0.09 0.00 0.02 0.00 0.00 57.07 58.46 9xia s TYR 174 Cb 0.00 -2.72 0.27 0.00 -1.52 0.00 0.00 41.96 37.99 9xia s TYR 174 CO 0.00 0.02 1.05 0.34 0.02 0.00 0.00 175.55 176.98 9xia s ASP 175 N -2.14 7.16 -0.07 2.29 2.15 -1.26 -4.78 116.67 120.02 9xia s ASP 175 Ca 0.57 -3.54 -0.09 0.00 0.43 0.00 0.00 52.55 49.93 9xia s ASP 175 Cb -0.11 -2.18 0.02 0.00 -0.30 0.00 0.00 42.92 40.35 9xia s ASP 175 CO 0.16 -0.30 0.23 -0.51 -0.17 0.00 0.00 175.17 174.58 9xia s ILE 176 N -1.16 0.02 0.27 4.11 2.07 -1.26 -4.73 121.20 120.52 9xia s ILE 176 Ca 0.29 -0.13 0.12 0.00 -1.41 0.00 0.00 60.65 59.53 9xia s ILE 176 Cb -0.10 -0.38 -0.05 0.00 0.13 0.00 0.00 42.46 42.07 9xia s ILE 176 CO -0.08 -0.07 -0.20 -0.13 -1.91 0.00 0.00 174.94 172.55 9xia s ARG 177 N -0.18 1.65 0.02 3.50 0.52 -0.75 -5.01 118.95 118.70 9xia s ARG 177 Ca -0.03 -1.74 -0.01 0.00 -0.52 0.00 0.00 55.73 53.43 9xia s ARG 177 Cb -0.03 -1.75 -0.04 0.00 0.52 0.00 0.00 34.95 33.65 9xia s ARG 177 CO 0.01 0.33 0.14 -0.06 0.02 0.00 0.00 175.30 175.74 9xia s PHE 178 N -2.46 3.42 -0.08 -0.53 0.40 0.04 -0.57 117.98 118.19 9xia s PHE 178 Ca 0.29 0.26 -0.01 0.00 -0.60 0.00 0.00 56.93 56.87 9xia s PHE 178 Cb -0.05 -1.76 0.03 0.00 0.51 0.00 0.00 43.02 41.74 9xia s PHE 178 CO 0.14 0.59 -0.03 0.00 0.70 0.00 0.00 175.22 176.62 9xia s ALA 179 N -1.33 0.92 -0.00 5.36 0.00 -0.17 -1.18 121.76 125.36 9xia s ALA 179 Ca 0.28 -0.26 -0.18 0.00 0.00 0.00 0.00 51.96 51.79 9xia s ALA 179 Cb -0.12 -0.76 -0.06 0.00 0.00 0.00 0.00 23.12 22.18 9xia s ALA 179 CO 0.19 -0.37 0.50 0.42 0.00 0.00 0.00 175.76 176.50 9xia s ILE 180 N 1.72 4.96 -0.21 0.00 1.01 -0.10 -1.35 121.20 127.22 9xia s ILE 180 Ca 0.02 1.03 -0.05 0.00 0.00 0.00 0.00 60.65 61.66 9xia s ILE 180 Cb -0.13 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 9xia s ILE 180 CO -0.05 0.50 -0.02 -0.70 0.00 0.00 0.00 174.94 174.67 9xia s GLU 181 N -0.60 3.51 0.47 2.79 2.12 -0.17 -0.55 118.70 126.28 9xia s GLU 181 Ca 0.27 -0.57 -0.09 0.00 0.36 0.00 0.00 54.97 54.94 9xia s GLU 181 Cb -0.17 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 9xia s GLU 181 CO 0.15 -0.09 0.82 -2.14 -0.54 0.00 0.00 175.26 173.47 9xia s PRO 182 N 1.23 3.66 -0.27 4.30 0.02 -1.26 -4.44 135.00 138.24 9xia s PRO 182 Ca 0.03 0.41 -0.20 0.00 0.02 0.00 0.00 61.00 61.27 9xia s PRO 182 Cb -0.15 -2.33 0.07 0.00 0.02 0.00 0.00 34.50 32.12 9xia s PRO 182 CO 0.00 -0.20 0.69 0.21 -0.33 0.00 0.00 177.00 177.38 9xia s LYS 183 N -4.43 0.75 0.16 5.54 2.20 -1.23 -4.71 119.74 118.02 9xia s LYS 183 Ca 0.50 1.12 0.08 0.00 -0.36 0.00 0.00 55.97 57.31 9xia s LYS 183 Cb -0.10 0.25 -0.07 0.00 -1.51 0.00 0.00 37.83 36.40 9xia s LYS 183 CO 0.40 -0.13 1.36 -1.00 -0.36 0.00 0.00 175.35 175.63 9xia h PRO 184 N 6.14 0.00 -2.68 4.03 0.13 -1.67 -3.39 132.00 134.56 9xia h PRO 184 Ca -0.30 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.95 9xia h PRO 184 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 9xia h PRO 184 CO 0.12 0.89 0.36 0.54 -0.23 0.00 0.00 178.00 179.67 9xia s ASN 185 N -6.72 -0.21 0.00 1.44 4.22 -1.26 -1.94 114.94 110.47 9xia s ASN 185 Ca 0.01 -0.53 -0.00 0.00 -2.14 0.00 0.00 52.86 50.19 9xia s ASN 185 Cb 0.10 0.62 0.00 0.00 1.28 0.00 0.00 41.25 43.25 9xia s ASN 185 CO 0.80 -1.14 0.00 1.21 -2.04 0.00 0.00 177.10 175.93 9xia n GLU 186 N -0.47 -0.73 0.12 3.55 2.13 -1.26 -4.85 120.64 119.13 9xia n GLU 186 Ca -0.05 0.96 0.13 0.00 0.66 0.00 0.00 57.16 58.86 9xia n GLU 186 Cb 0.60 -1.14 0.36 0.00 0.27 0.00 0.00 31.44 31.53 9xia n GLU 186 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 9xia h PRO 187 N 0.60 0.00 -7.03 5.31 0.13 -1.99 -3.50 132.00 125.53 9xia h PRO 187 Ca -0.01 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.63 9xia h PRO 187 Cb 0.01 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.17 9xia h PRO 187 CO 0.00 0.00 0.22 1.03 -0.23 0.00 0.00 178.00 179.02 9xia s ARG 188 N -3.12 3.71 0.17 0.86 1.81 -1.26 -4.98 118.95 116.15 9xia s ARG 188 Ca 0.10 0.54 -0.14 0.00 -1.72 0.00 0.00 55.73 54.50 9xia s ARG 188 Cb 0.11 -2.28 0.14 0.00 -0.45 0.00 0.00 34.95 32.46 9xia s ARG 188 CO 0.61 -0.22 1.72 0.78 -0.68 0.00 0.00 175.30 177.51 9xia h GLY 189 N 0.63 0.51 -5.78 -3.53 0.00 -1.88 -3.41 103.07 89.62 9xia h GLY 189 Ca -0.46 -0.01 -0.26 0.00 0.00 0.00 0.00 47.33 46.59 9xia h GLY 189 CO 0.62 -0.05 -0.73 0.99 0.00 0.00 0.00 176.54 177.37 9xia s ASP 190 N -5.31 0.11 -0.03 0.19 1.11 -0.46 -4.66 116.67 107.62 9xia s ASP 190 Ca -0.13 -0.00 -0.01 0.00 0.18 0.00 0.00 52.55 52.59 9xia s ASP 190 Cb 0.14 -0.04 -0.04 0.00 1.07 0.00 0.00 42.92 44.06 9xia s ASP 190 CO 0.72 -0.03 0.03 -0.63 1.18 0.00 0.00 175.17 176.45 9xia s ILE 191 N 0.27 4.46 0.55 0.77 1.01 -0.82 -1.74 121.20 125.69 9xia s ILE 191 Ca -0.02 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.04 9xia s ILE 191 Cb -0.04 -2.97 -0.06 0.00 0.01 0.00 0.00 42.46 39.41 9xia s ILE 191 CO -0.01 0.45 1.11 -0.76 0.00 0.00 0.00 174.94 175.73 9xia s LEU 192 N -1.40 3.71 -0.85 2.97 1.43 -0.07 -3.62 118.68 120.86 9xia s LEU 192 Ca 0.19 2.09 -0.04 0.00 -1.03 0.00 0.00 54.13 55.34 9xia s LEU 192 Cb -0.12 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.53 9xia s LEU 192 CO 0.09 -1.18 0.70 0.18 0.23 0.00 0.00 176.35 176.37 9xia n LEU 193 N -1.40 -4.75 0.20 1.79 4.77 -1.26 -4.81 117.00 111.53 9xia n LEU 193 Ca 0.11 -0.51 0.14 0.00 -0.03 0.00 0.00 56.01 55.72 9xia n LEU 193 Cb 0.51 -2.70 0.53 0.00 -2.33 0.00 0.00 43.42 39.43 9xia n LEU 193 CO 0.43 -0.38 0.91 1.55 -1.33 0.00 0.00 177.39 178.57 9xia h PRO 194 N -0.21 0.00 -4.61 3.23 0.13 -1.75 -3.32 132.00 125.47 9xia h PRO 194 Ca -0.32 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.56 9xia h PRO 194 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 9xia h PRO 194 CO 0.36 0.00 -0.62 0.95 -0.23 0.00 0.00 178.00 178.45 9xia s THR 195 N -3.43 0.11 0.25 1.56 -4.23 -1.26 -2.15 115.64 106.48 9xia s THR 195 Ca 0.04 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.52 9xia s THR 195 Cb 0.09 -2.44 0.21 0.00 1.34 0.00 0.00 72.50 71.70 9xia s THR 195 CO 0.51 -0.08 1.80 0.58 -0.54 0.00 0.00 174.62 176.89 9xia h VAL 196 N 2.63 0.87 -0.43 2.29 2.07 -1.93 -1.66 116.25 120.09 9xia h VAL 196 Ca -0.36 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 9xia h VAL 196 Cb 1.24 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 9xia h VAL 196 CO 0.55 0.13 0.09 1.23 0.02 0.00 0.00 177.57 179.59 9xia h GLY 197 N 0.73 0.75 0.97 2.17 0.00 -1.96 -0.61 103.07 105.12 9xia h GLY 197 Ca 0.40 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 47.27 9xia h GLY 197 CO -0.27 0.45 0.60 0.45 0.00 0.00 0.00 176.54 177.77 9xia h HIS 198 N 0.56 1.14 -0.36 5.60 -0.00 -1.75 -1.66 115.15 118.67 9xia h HIS 198 Ca 0.13 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.44 9xia h HIS 198 Cb 0.35 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 9xia h HIS 198 CO 0.02 0.70 -0.12 0.00 -0.00 0.00 0.00 177.93 178.53 9xia h ALA 199 N 1.35 0.51 -0.90 2.45 0.00 -1.18 -2.27 119.26 119.22 9xia h ALA 199 Ca 0.34 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 9xia h ALA 199 Cb -0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 9xia h ALA 199 CO -0.09 0.38 0.53 -0.07 0.00 0.00 0.00 179.25 180.01 9xia h LEU 200 N 0.52 1.09 -0.66 0.00 3.38 -0.75 -2.22 115.31 116.67 9xia h LEU 200 Ca 0.09 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 9xia h LEU 200 Cb 0.64 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 9xia h LEU 200 CO 0.04 0.85 -0.18 0.00 0.09 0.00 0.00 178.44 179.23 9xia h ALA 201 N 1.29 0.85 -0.63 1.53 0.00 -1.25 -3.09 119.26 117.95 9xia h ALA 201 Ca 0.32 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 9xia h ALA 201 Cb -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 9xia h ALA 201 CO -0.06 0.64 0.19 0.35 0.00 0.00 0.00 179.25 180.37 9xia h PHE 202 N 0.75 1.03 -0.98 0.00 3.04 -1.06 -2.80 116.94 116.92 9xia h PHE 202 Ca 0.11 -0.11 0.15 0.00 3.98 0.00 0.00 57.97 62.10 9xia h PHE 202 Cb 0.71 -0.30 -0.09 0.00 2.56 0.00 0.00 35.95 38.84 9xia h PHE 202 CO 0.04 0.84 0.62 0.82 -2.02 0.00 0.00 178.31 178.61 9xia h ILE 203 N 0.92 0.83 0.00 1.41 2.04 -1.33 -1.36 117.51 120.02 9xia h ILE 203 Ca 0.20 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.77 9xia h ILE 203 Cb 0.30 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 9xia h ILE 203 CO -0.01 0.16 0.00 -0.62 0.00 0.00 0.00 178.15 177.68 9xia n GLU 204 N -4.65 0.17 -0.12 2.37 -0.58 -1.06 -1.50 120.64 115.27 9xia n GLU 204 Ca 0.20 0.54 0.12 0.00 -0.42 0.00 0.00 57.16 57.60 9xia n GLU 204 Cb 0.45 -1.92 0.18 0.00 -0.57 0.00 0.00 31.44 29.58 9xia n GLU 204 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 9xia n ARG 205 N -2.25 2.44 -2.06 3.49 5.12 -0.51 -4.97 116.66 117.92 9xia n ARG 205 Ca 0.00 -2.15 -0.31 0.00 -1.93 0.00 0.00 57.85 53.47 9xia n ARG 205 Cb 0.12 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 9xia n ARG 205 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 9xia s LEU 206 N -1.69 3.35 0.29 0.55 1.43 -0.56 -4.97 118.68 117.08 9xia s LEU 206 Ca 0.35 1.39 -0.01 0.00 -1.03 0.00 0.00 54.13 54.83 9xia s LEU 206 Cb 0.22 -4.40 0.44 0.00 0.03 0.00 0.00 46.19 42.47 9xia s LEU 206 CO 0.31 -0.78 1.87 -0.33 0.23 0.00 0.00 176.35 177.65 9xia h GLU 207 N -0.03 0.85 -2.69 1.70 4.39 -1.93 -3.32 114.58 113.55 9xia h GLU 207 Ca -0.45 -0.14 -0.60 0.00 0.34 0.00 0.00 59.36 58.51 9xia h GLU 207 Cb 1.19 -0.15 -0.40 0.00 -0.10 0.00 0.00 28.75 29.29 9xia h GLU 207 CO 0.62 0.71 -0.77 0.54 -1.16 0.00 0.00 179.01 178.96 9xia n ARG 208 N -4.31 1.13 0.07 2.33 1.74 -1.26 -4.97 116.66 111.38 9xia n ARG 208 Ca 0.05 -3.89 0.21 0.00 -0.77 0.00 0.00 57.85 53.44 9xia n ARG 208 Cb 0.18 -1.98 0.74 0.00 -1.02 0.00 0.00 32.46 30.38 9xia n ARG 208 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 9xia h PRO 209 N 5.37 0.00 0.00 5.56 0.11 -1.80 -2.13 132.00 139.12 9xia h PRO 209 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 9xia h PRO 209 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 9xia h PRO 209 CO 0.57 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.41 9xia h GLU 210 N 0.00 0.00 -0.00 1.05 9.09 -1.93 -2.30 114.58 120.49 9xia h GLU 210 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.62 9xia h GLU 210 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 9xia h GLU 210 CO -0.00 0.00 -0.17 1.28 0.05 0.00 0.00 179.01 180.17 9xia n LEU 211 N -2.52 0.56 -4.13 3.06 4.77 -0.80 -4.88 117.00 113.06 9xia n LEU 211 Ca 0.01 -0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.74 9xia n LEU 211 Cb 0.21 -0.20 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 9xia n LEU 211 CO 0.20 0.11 -0.48 -0.31 -1.33 0.00 0.00 177.39 175.57 9xia s TYR 212 N -2.56 1.37 0.00 -1.77 2.02 -0.87 -0.78 117.35 114.77 9xia s TYR 212 Ca 0.25 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.69 9xia s TYR 212 Cb 0.20 -0.89 0.00 0.00 -0.40 0.00 0.00 41.96 40.87 9xia s TYR 212 CO 0.51 -0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.87 9xia n GLY 213 N 2.72 4.61 3.52 0.71 0.00 -0.33 -4.99 105.19 111.43 9xia n GLY 213 Ca -0.14 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 43.97 9xia n GLY 213 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 9xia s VAL 214 N -1.45 2.92 -0.66 1.61 -7.23 -0.34 -0.92 120.40 114.33 9xia s VAL 214 Ca 0.00 -1.73 0.05 0.00 -1.81 0.00 0.00 61.98 58.49 9xia s VAL 214 Cb 0.00 -2.42 0.17 0.00 0.56 0.00 0.00 36.38 34.69 9xia s VAL 214 CO 0.00 -0.07 0.47 0.21 -0.31 0.00 0.00 175.10 175.39 9xia s ASN 215 N -2.67 4.32 0.56 4.85 2.47 0.29 -2.67 114.94 122.08 9xia s ASN 215 Ca 0.23 -3.73 -0.17 0.00 0.42 0.00 0.00 52.86 49.60 9xia s ASN 215 Cb -0.09 -1.46 -0.05 0.00 -1.45 0.00 0.00 41.25 38.20 9xia s ASN 215 CO 0.13 -0.10 1.05 -2.84 -3.72 0.00 0.00 177.10 171.63 9xia s PRO 216 N -1.22 3.48 -0.07 0.43 0.02 -1.26 -4.27 135.00 132.12 9xia s PRO 216 Ca 0.26 1.28 0.05 0.00 0.02 0.00 0.00 61.00 62.61 9xia s PRO 216 Cb -0.04 -2.05 -0.01 0.00 0.02 0.00 0.00 34.50 32.43 9xia s PRO 216 CO -0.17 -0.69 -0.25 -2.00 -0.33 0.00 0.00 177.00 173.57 9xia s GLU 217 N -3.76 2.70 0.11 5.54 2.12 -1.26 -0.68 118.70 123.48 9xia s GLU 217 Ca 0.65 -0.90 -0.29 0.00 0.36 0.00 0.00 54.97 54.79 9xia s GLU 217 Cb -0.17 -2.20 -0.10 0.00 0.26 0.00 0.00 34.13 31.92 9xia s GLU 217 CO 0.31 0.32 1.48 0.28 -0.54 0.00 0.00 175.26 177.11 9xia h VAL 218 N 5.27 0.00 -0.35 3.70 2.07 -1.57 -2.40 116.25 122.97 9xia h VAL 218 Ca -0.28 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.26 9xia h VAL 218 Cb 1.20 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 9xia h VAL 218 CO 0.47 0.00 0.23 1.23 0.02 0.00 0.00 177.57 179.52 9xia h GLY 219 N -0.42 0.43 0.85 2.17 0.00 -1.86 -3.07 103.07 101.17 9xia h GLY 219 Ca 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 9xia h GLY 219 CO -0.47 0.14 -0.05 0.45 0.00 0.00 0.00 176.54 176.62 9xia h HIS 220 N 0.39 0.53 -0.05 5.60 3.86 -1.77 -1.30 115.15 122.41 9xia h HIS 220 Ca 0.14 -0.11 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 9xia h HIS 220 Cb 0.07 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 9xia h HIS 220 CO -0.00 0.68 -0.37 0.93 0.86 0.00 0.00 177.93 180.03 9xia h GLU 221 N 0.23 0.10 0.00 2.45 4.39 -1.53 -2.33 114.58 117.88 9xia h GLU 221 Ca 0.07 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 9xia h GLU 221 Cb 0.50 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 9xia h GLU 221 CO 0.02 0.47 -0.22 1.96 -1.16 0.00 0.00 179.01 180.08 9xia h GLN 222 N 0.09 0.00 0.00 2.33 4.20 -1.41 -1.55 115.11 118.77 9xia h GLN 222 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 9xia h GLN 222 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 9xia h GLN 222 CO 0.05 0.22 0.00 0.52 -0.67 0.00 0.00 178.83 178.95 9xia h MET 223 N 0.00 0.00 -0.44 1.46 2.86 -0.66 -0.91 114.93 117.24 9xia h MET 223 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 9xia h MET 223 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 9xia h MET 223 CO 0.03 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.00 9xia n ALA 224 N -1.81 2.22 -1.38 6.32 0.00 -0.66 -4.72 120.51 120.49 9xia n ALA 224 Ca 0.01 -1.18 -0.13 0.00 0.00 0.00 0.00 53.44 52.14 9xia n ALA 224 Cb 0.20 -0.56 -0.06 0.00 0.00 0.00 0.00 19.45 19.04 9xia n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9xia n GLY 225 N 0.79 1.39 3.93 0.00 0.00 -0.34 -5.02 105.19 105.94 9xia n GLY 225 Ca 0.15 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 9xia n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 9xia s LEU 226 N -2.99 3.44 -0.40 0.99 1.43 -0.77 -4.99 118.68 115.39 9xia s LEU 226 Ca 0.00 0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 53.44 9xia s LEU 226 Cb 0.00 -3.43 0.02 0.00 0.03 0.00 0.00 46.19 42.80 9xia s LEU 226 CO 0.00 -0.87 0.76 0.21 0.23 0.00 0.00 176.35 176.68 9xia s ASN 227 N -4.25 6.47 0.09 2.29 3.84 -1.26 -4.32 114.94 117.80 9xia s ASN 227 Ca 0.51 0.10 -0.26 0.00 0.21 0.00 0.00 52.86 53.42 9xia s ASN 227 Cb -0.10 -2.38 -0.15 0.00 -0.55 0.00 0.00 41.25 38.07 9xia s ASN 227 CO 0.42 -0.80 1.69 0.15 -2.79 0.00 0.00 177.10 175.78 9xia h PHE 228 N 8.71 -0.32 -0.95 0.43 3.04 -1.91 -2.16 116.94 123.77 9xia h PHE 228 Ca -0.25 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 61.81 9xia h PHE 228 Cb 1.09 0.12 -0.08 0.00 2.56 0.00 0.00 35.95 39.64 9xia h PHE 228 CO 0.79 -0.20 0.61 -1.35 -2.02 0.00 0.00 178.31 176.14 9xia h PRO 229 N -0.32 0.89 -0.64 6.41 0.11 -1.92 -1.02 132.00 135.51 9xia h PRO 229 Ca -0.02 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 9xia h PRO 229 Cb 0.27 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 9xia h PRO 229 CO 0.02 0.59 0.13 0.45 -0.21 0.00 0.00 178.00 178.98 9xia h HIS 230 N 0.92 1.10 -0.65 0.65 3.86 -1.91 -1.05 115.15 118.07 9xia h HIS 230 Ca 0.46 -0.14 -0.06 0.00 -1.16 0.00 0.00 60.37 59.47 9xia h HIS 230 Cb 0.49 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 9xia h HIS 230 CO -0.00 0.92 0.16 0.78 0.86 0.00 0.00 177.93 180.65 9xia h GLY 231 N 0.96 1.11 0.98 2.45 0.00 -0.63 -1.30 103.07 106.63 9xia h GLY 231 Ca 0.20 -0.67 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 9xia h GLY 231 CO 0.01 0.63 0.10 -2.22 0.00 0.00 0.00 176.54 175.06 9xia h ILE 232 N 0.98 1.24 -0.82 2.60 1.08 -1.07 -1.46 117.51 120.06 9xia h ILE 232 Ca 0.21 -0.88 -0.01 0.00 -0.39 0.00 0.00 64.86 63.78 9xia h ILE 232 Cb 0.34 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 34.91 9xia h ILE 232 CO 0.00 0.32 0.47 0.00 -0.69 0.00 0.00 178.15 178.25 9xia h ALA 233 N 0.98 1.28 -0.54 1.87 0.00 -0.80 0.15 119.26 122.19 9xia h ALA 233 Ca 0.15 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 9xia h ALA 233 Cb 0.36 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 9xia h ALA 233 CO 0.01 0.60 -0.07 0.37 0.00 0.00 0.00 179.25 180.15 9xia h GLN 234 N 1.14 1.01 -0.42 0.00 4.15 -0.89 0.15 115.11 120.24 9xia h GLN 234 Ca 0.29 -0.36 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 9xia h GLN 234 Cb -0.01 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 9xia h GLN 234 CO -0.05 1.04 -0.10 0.00 -1.93 0.00 0.00 178.83 177.79 9xia h ALA 235 N 0.93 0.58 -0.47 3.38 0.00 -0.69 -1.82 119.26 121.18 9xia h ALA 235 Ca 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 9xia h ALA 235 Cb 0.63 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 9xia h ALA 235 CO 0.04 0.46 0.23 -0.07 0.00 0.00 0.00 179.25 179.91 9xia h LEU 236 N 0.64 0.61 -1.02 0.00 3.38 -0.47 -1.23 115.31 117.22 9xia h LEU 236 Ca 0.11 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.01 9xia h LEU 236 Cb 0.63 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 9xia h LEU 236 CO 0.04 0.56 0.65 -0.25 0.09 0.00 0.00 178.44 179.54 9xia h TRP 237 N 0.62 1.21 0.00 1.13 7.01 -0.52 -1.04 115.95 124.36 9xia h TRP 237 Ca 0.16 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.19 9xia h TRP 237 Cb 0.11 -0.40 0.00 0.00 -2.10 0.00 0.00 29.16 26.77 9xia h TRP 237 CO -0.01 0.66 0.00 0.00 -2.79 0.00 0.00 178.44 176.30 9xia n ALA 238 N -2.37 2.50 -1.87 2.65 0.00 -0.70 -4.91 120.51 115.81 9xia n ALA 238 Ca 0.15 -0.15 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 9xia n ALA 238 Cb 0.15 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.10 9xia n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9xia n GLY 239 N 1.16 0.34 0.42 0.00 0.00 -0.39 -4.96 105.19 101.76 9xia n GLY 239 Ca 0.16 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.69 9xia n GLY 239 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 9xia n LYS 240 N -2.11 2.26 -2.73 1.61 4.76 -0.50 -4.90 118.16 116.55 9xia n LYS 240 Ca -0.10 -2.48 -0.42 0.00 -2.87 0.00 0.00 58.31 52.44 9xia n LYS 240 Cb 0.48 -1.54 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 9xia n LYS 240 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 9xia s LEU 241 N -2.43 4.22 0.13 -0.35 2.96 -1.24 -1.20 118.68 120.78 9xia s LEU 241 Ca 0.31 -1.80 0.13 0.00 -0.22 0.00 0.00 54.13 52.55 9xia s LEU 241 Cb 0.25 -2.49 -0.10 0.00 0.50 0.00 0.00 46.19 44.35 9xia s LEU 241 CO 0.06 -1.28 1.12 -0.26 -1.32 0.00 0.00 176.35 174.67 9xia h PHE 242 N 9.20 0.00 -2.87 5.38 -1.00 -1.86 -3.49 116.94 122.30 9xia h PHE 242 Ca 0.20 0.00 0.08 0.00 2.81 0.00 0.00 57.97 61.06 9xia h PHE 242 Cb 1.00 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.52 9xia h PHE 242 CO 1.23 0.72 0.29 -1.58 -1.61 0.00 0.00 178.31 177.36 9xia s HIS 243 N -2.84 -0.12 -0.08 -0.55 2.46 -1.21 -4.88 115.29 108.08 9xia s HIS 243 Ca 0.00 -0.34 -0.16 0.00 0.47 0.00 0.00 55.06 55.03 9xia s HIS 243 Cb 0.09 0.72 0.04 0.00 -0.13 0.00 0.00 32.58 33.29 9xia s HIS 243 CO 0.79 -1.21 0.39 -1.50 -2.47 0.00 0.00 174.74 170.75 9xia s ILE 244 N -3.51 0.03 -0.24 0.89 2.07 -1.26 -4.06 121.20 115.11 9xia s ILE 244 Ca 0.12 -0.23 -0.04 0.00 -1.41 0.00 0.00 60.65 59.10 9xia s ILE 244 Cb -0.05 -0.64 0.00 0.00 0.13 0.00 0.00 42.46 41.90 9xia s ILE 244 CO 0.07 -0.13 -0.04 -1.81 -1.91 0.00 0.00 174.94 171.13 9xia s ASP 245 N -0.68 4.37 -0.15 4.50 -0.00 0.15 -3.41 116.67 121.45 9xia s ASP 245 Ca -0.08 -0.56 -0.07 0.00 -0.00 0.00 0.00 52.55 51.84 9xia s ASP 245 Cb -0.04 -1.73 -0.04 0.00 -0.00 0.00 0.00 42.92 41.11 9xia s ASP 245 CO 0.03 -0.07 0.09 -0.76 -0.00 0.00 0.00 175.17 174.47 9xia s LEU 246 N 1.44 4.06 0.00 1.23 1.43 0.45 -1.49 118.68 125.80 9xia s LEU 246 Ca 0.04 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 9xia s LEU 246 Cb -0.15 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.06 9xia s LEU 246 CO -0.03 0.28 0.00 -0.46 0.23 0.00 0.00 176.35 176.36 9xia n ASN 247 N 2.86 0.00 -4.14 2.29 0.23 -1.26 -2.04 115.26 113.21 9xia n ASN 247 Ca -0.18 -0.80 -0.13 0.00 -0.53 0.00 0.00 54.58 52.94 9xia n ASN 247 Cb 0.53 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.12 9xia n ASN 247 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 9xia s GLY 248 N -1.75 0.71 -0.16 4.83 0.00 -0.18 -4.46 107.32 106.31 9xia s GLY 248 Ca 0.00 -1.07 -0.14 0.00 0.00 0.00 0.00 44.72 43.51 9xia s GLY 248 CO 0.00 -1.15 0.42 1.62 0.00 0.00 0.00 173.10 173.99 9xia s GLN 249 N -2.57 0.47 -1.12 2.90 2.00 -1.26 -1.54 119.66 118.54 9xia s GLN 249 Ca 0.01 0.61 -0.09 0.00 -2.00 0.00 0.00 55.36 53.90 9xia s GLN 249 Cb -0.04 0.20 0.28 0.00 0.80 0.00 0.00 33.01 34.25 9xia s GLN 249 CO -0.01 -0.07 1.16 0.09 -0.50 0.00 0.00 175.29 175.95 9xia n ASN 250 N 3.06 5.59 -0.04 6.67 3.02 -1.26 -3.60 115.26 128.71 9xia n ASN 250 Ca -0.15 -3.07 0.00 0.00 -0.03 0.00 0.00 54.58 51.34 9xia n ASN 250 Cb 0.57 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 9xia n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 9xia n GLY 251 N 2.60 -1.73 3.49 7.41 0.00 -1.26 -4.72 105.19 110.97 9xia n GLY 251 Ca 0.24 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 9xia n GLY 251 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 9xia s ILE 252 N 0.00 4.27 0.01 -0.61 1.01 -1.26 -4.41 121.20 120.21 9xia s ILE 252 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 9xia s ILE 252 Cb 0.00 -4.66 0.00 0.00 0.01 0.00 0.00 42.46 37.81 9xia s ILE 252 CO 0.00 -1.39 0.04 2.29 0.00 0.00 0.00 174.94 175.87 9xia n LYS 253 N 7.83 0.03 -0.78 2.79 2.85 -1.26 -5.10 118.16 124.52 9xia n LYS 253 Ca -0.01 -0.06 -0.33 0.00 -1.05 0.00 0.00 58.31 56.86 9xia n LYS 253 Cb 0.47 0.08 0.13 0.00 -0.65 0.00 0.00 35.03 35.05 9xia n LYS 253 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 9xia n TYR 254 N -0.03 -1.48 -2.30 5.58 0.18 -1.26 -4.84 117.16 113.01 9xia n TYR 254 Ca -0.00 0.22 -0.42 0.00 1.88 0.00 0.00 57.90 59.57 9xia n TYR 254 Cb 0.02 -1.75 -0.02 0.00 -0.38 0.00 0.00 39.34 37.20 9xia n TYR 254 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 9xia s ASP 255 N -1.99 6.15 0.05 9.48 3.68 -1.26 -4.88 116.67 127.90 9xia s ASP 255 Ca 0.57 0.70 -0.05 0.00 2.13 0.00 0.00 52.55 55.90 9xia s ASP 255 Cb -0.20 -2.54 -0.29 0.00 -1.45 0.00 0.00 42.92 38.44 9xia s ASP 255 CO 0.67 -1.61 1.03 1.56 0.13 0.00 0.00 175.17 176.96 9xia h GLN 256 N 11.35 0.30 -6.16 4.34 4.20 -1.88 -3.49 115.11 123.77 9xia h GLN 256 Ca -0.28 -0.51 -0.43 0.00 0.06 0.00 0.00 58.65 57.49 9xia h GLN 256 Cb 1.11 0.19 0.03 0.00 0.30 0.00 0.00 27.48 29.11 9xia h GLN 256 CO 1.11 1.21 -0.83 -0.25 -0.67 0.00 0.00 178.83 179.40 9xia n ASP 257 N -3.53 -1.40 -4.88 1.46 10.43 -1.23 -4.66 116.55 112.74 9xia n ASP 257 Ca -0.12 -0.84 -0.30 0.00 2.57 0.00 0.00 54.79 56.10 9xia n ASP 257 Cb 1.04 -3.92 0.03 0.00 1.84 0.00 0.00 41.12 40.12 9xia n ASP 257 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 9xia s LEU 258 N -6.77 3.01 0.64 0.64 1.43 -0.59 -0.50 118.68 116.54 9xia s LEU 258 Ca 0.07 1.22 -0.18 0.00 -1.03 0.00 0.00 54.13 54.21 9xia s LEU 258 Cb -0.03 -4.10 -0.03 0.00 0.03 0.00 0.00 46.19 42.06 9xia s LEU 258 CO 0.82 -1.18 1.09 -2.11 0.23 0.00 0.00 176.35 175.20 9xia n ARG 259 N -2.92 0.92 -1.86 1.70 1.85 -1.26 -1.01 116.66 114.08 9xia n ARG 259 Ca 0.07 0.36 -0.41 0.00 -1.00 0.00 0.00 57.85 56.87 9xia n ARG 259 Cb 0.56 -2.32 -0.02 0.00 -1.05 0.00 0.00 32.46 29.64 9xia n ARG 259 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 9xia s PHE 260 N -1.50 2.81 0.00 2.89 5.36 -1.26 -1.96 117.98 124.32 9xia s PHE 260 Ca 0.79 0.94 0.00 0.00 -0.96 0.00 0.00 56.93 57.70 9xia s PHE 260 Cb -0.39 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.31 9xia s PHE 260 CO 0.44 -3.16 0.00 0.41 -1.46 0.00 0.00 175.22 171.45 9xia n GLY 261 N 1.83 2.68 3.89 13.12 0.00 -1.26 -4.42 105.19 121.03 9xia n GLY 261 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 9xia n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9xia s ALA 262 N -2.65 2.81 0.00 4.61 0.00 -0.83 -4.32 121.76 121.39 9xia s ALA 262 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.47 9xia s ALA 262 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.14 9xia s ALA 262 CO 0.00 -1.35 0.00 0.41 0.00 0.00 0.00 175.76 174.82 9xia n GLY 263 N -3.12 0.56 3.50 0.00 0.00 -1.26 -4.07 105.19 100.79 9xia n GLY 263 Ca 0.07 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 9xia n GLY 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 9xia s ASP 264 N -4.00 6.39 0.19 1.61 -1.08 -1.24 -4.88 116.67 113.66 9xia s ASP 264 Ca 0.00 -1.30 -0.09 0.00 -0.52 0.00 0.00 52.55 50.64 9xia s ASP 264 Cb 0.00 -2.49 0.11 0.00 -1.46 0.00 0.00 42.92 39.08 9xia s ASP 264 CO 0.00 -1.44 1.72 0.25 0.52 0.00 0.00 175.17 176.22 9xia h LEU 265 N 11.85 1.01 -1.07 -1.34 5.85 -1.81 -2.53 115.31 127.26 9xia h LEU 265 Ca -0.03 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 9xia h LEU 265 Cb 1.04 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 9xia h LEU 265 CO 1.25 0.95 -0.13 0.03 -0.34 0.00 0.00 178.44 180.21 9xia h ARG 266 N 1.01 0.51 -0.35 1.25 2.47 -1.94 -2.43 114.38 114.90 9xia h ARG 266 Ca 0.22 -0.15 -0.07 0.00 -1.26 0.00 0.00 59.98 58.73 9xia h ARG 266 Cb 0.31 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 9xia h ARG 266 CO -0.01 0.63 -0.06 0.00 0.56 0.00 0.00 179.97 181.09 9xia h ALA 267 N 1.40 1.25 -0.47 0.04 0.00 -1.92 -1.70 119.26 117.86 9xia h ALA 267 Ca 0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 9xia h ALA 267 Cb 0.50 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 9xia h ALA 267 CO 0.03 0.49 0.15 0.00 0.00 0.00 0.00 179.25 179.93 9xia h ALA 268 N 1.41 0.62 0.11 0.00 0.00 -1.09 0.39 119.26 120.69 9xia h ALA 268 Ca 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 9xia h ALA 268 Cb 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.04 9xia h ALA 268 CO 0.02 0.27 -0.05 0.35 0.00 0.00 0.00 179.25 179.84 9xia h PHE 269 N 0.63 -0.13 0.00 0.00 3.04 -0.95 -1.18 116.94 118.35 9xia h PHE 269 Ca 0.15 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.05 9xia h PHE 269 Cb 0.26 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 9xia h PHE 269 CO 0.01 0.06 -0.25 -1.49 -2.02 0.00 0.00 178.31 174.62 9xia h TRP 270 N -0.31 0.00 -0.09 0.41 -0.00 -1.17 -1.02 115.95 113.78 9xia h TRP 270 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.80 9xia h TRP 270 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.41 9xia h TRP 270 CO -0.02 0.25 -0.25 1.25 -0.00 0.00 0.00 178.44 179.67 9xia h LEU 271 N 0.00 0.38 -0.94 -4.49 5.85 -0.67 -1.78 115.31 113.66 9xia h LEU 271 Ca -0.00 -0.60 -0.00 0.00 0.84 0.00 0.00 57.88 58.11 9xia h LEU 271 Cb 0.54 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 9xia h LEU 271 CO 0.03 0.91 0.57 0.58 -0.34 0.00 0.00 178.44 180.20 9xia h VAL 272 N -0.13 1.26 -0.54 1.05 2.07 -0.96 0.22 116.25 119.21 9xia h VAL 272 Ca -0.01 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.00 9xia h VAL 272 Cb 0.87 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 9xia h VAL 272 CO 0.05 0.27 0.31 -0.78 0.02 0.00 0.00 177.57 177.44 9xia h ASP 273 N 1.29 0.49 -0.14 0.57 1.82 -1.13 -1.15 116.42 118.16 9xia h ASP 273 Ca 0.34 0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.92 9xia h ASP 273 Cb -0.07 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 39.85 9xia h ASP 273 CO -0.06 0.34 -0.17 0.25 -1.61 0.00 0.00 179.24 177.98 9xia h LEU 274 N 0.61 0.40 -0.78 2.28 5.85 -0.70 0.99 115.31 123.96 9xia h LEU 274 Ca 0.23 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.46 9xia h LEU 274 Cb 0.06 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 9xia h LEU 274 CO -0.12 0.82 0.50 -0.07 -0.34 0.00 0.00 178.44 179.24 9xia h LEU 275 N -0.01 0.85 -0.14 2.25 3.38 -0.72 0.92 115.31 121.84 9xia h LEU 275 Ca 0.02 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 9xia h LEU 275 Cb 0.72 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.28 9xia h LEU 275 CO 0.04 0.60 -0.48 -0.33 0.09 0.00 0.00 178.44 178.37 9xia h GLU 276 N 1.01 0.58 0.00 1.13 4.39 -1.22 0.09 114.58 120.54 9xia h GLU 276 Ca 0.30 -0.43 -0.12 0.00 0.34 0.00 0.00 59.36 59.45 9xia h GLU 276 Cb -0.05 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 9xia h GLU 276 CO -0.09 1.05 -0.59 0.66 -1.16 0.00 0.00 179.01 178.88 9xia h SER 277 N 0.22 0.00 0.68 1.42 4.64 -0.50 -2.53 113.55 117.47 9xia h SER 277 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 9xia h SER 277 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 9xia h SER 277 CO 0.10 0.59 -0.08 0.00 -0.87 0.00 0.00 176.83 176.57 9xia n ALA 278 N -2.41 2.61 -2.41 5.18 0.00 0.29 -4.92 120.51 118.85 9xia n ALA 278 Ca -0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.19 9xia n ALA 278 Cb 0.60 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.65 9xia n ALA 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9xia n GLY 279 N 1.39 0.33 3.73 0.00 0.00 -0.76 -4.97 105.19 104.91 9xia n GLY 279 Ca 0.10 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 9xia n GLY 279 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 9xia s TYR 280 N -2.64 2.89 -0.10 1.61 5.04 -0.05 -4.89 117.35 119.22 9xia s TYR 280 Ca 0.07 0.61 0.14 0.00 -2.44 0.00 0.00 57.07 55.45 9xia s TYR 280 Cb -0.03 -4.05 0.22 0.00 0.35 0.00 0.00 41.96 38.45 9xia s TYR 280 CO 0.09 -3.75 1.10 -1.13 -1.34 0.00 0.00 175.55 170.52 9xia n SER 281 N 3.22 2.08 -3.82 4.32 3.41 -1.26 -4.91 113.62 116.66 9xia n SER 281 Ca 0.12 -2.80 -0.23 0.00 -0.26 0.00 0.00 58.87 55.70 9xia n SER 281 Cb 0.37 -0.34 0.14 0.00 -0.26 0.00 0.00 64.21 64.13 9xia n SER 281 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 9xia n GLY 282 N -1.16 -0.62 3.74 5.00 0.00 -1.26 -5.03 105.19 105.86 9xia n GLY 282 Ca 0.12 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 9xia n GLY 282 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 9xia s PRO 283 N -5.15 2.71 -0.81 1.61 0.02 -1.26 -4.97 135.00 127.16 9xia s PRO 283 Ca 0.61 1.83 -0.12 0.00 0.02 0.00 0.00 61.00 63.34 9xia s PRO 283 Cb -0.02 -1.90 0.21 0.00 0.02 0.00 0.00 34.50 32.81 9xia s PRO 283 CO 0.42 -1.41 0.73 1.03 -0.33 0.00 0.00 177.00 177.43 9xia s ARG 284 N -3.50 3.45 -0.07 5.54 3.00 0.54 -4.42 118.95 123.49 9xia s ARG 284 Ca 0.77 -2.52 -0.16 0.00 0.00 0.00 0.00 55.73 53.81 9xia s ARG 284 Cb -0.31 -4.31 -0.05 0.00 0.00 0.00 0.00 34.95 30.29 9xia s ARG 284 CO 0.37 -1.27 0.43 -1.58 0.00 0.00 0.00 175.30 173.25 9xia s HIS 285 N 0.03 3.60 -0.26 -0.53 2.46 -1.22 -1.83 115.29 117.55 9xia s HIS 285 Ca 0.18 0.91 -0.12 0.00 0.47 0.00 0.00 55.06 56.51 9xia s HIS 285 Cb -0.12 -2.42 -0.05 0.00 -0.13 0.00 0.00 32.58 29.87 9xia s HIS 285 CO -0.08 0.38 0.21 -0.06 -2.47 0.00 0.00 174.74 172.72 9xia s PHE 286 N -0.14 3.28 -0.62 3.88 0.08 0.87 -0.41 117.98 124.92 9xia s PHE 286 Ca 0.24 0.24 0.01 0.00 0.12 0.00 0.00 56.93 57.53 9xia s PHE 286 Cb -0.16 -2.36 0.16 0.00 -0.57 0.00 0.00 43.02 40.09 9xia s PHE 286 CO 0.11 -0.06 0.41 0.34 -0.10 0.00 0.00 175.22 175.92 9xia s ASP 287 N 1.38 4.89 0.24 1.36 2.15 -0.86 -3.57 116.67 122.26 9xia s ASP 287 Ca 0.09 -3.11 0.01 0.00 0.43 0.00 0.00 52.55 49.96 9xia s ASP 287 Cb -0.15 -1.75 -0.04 0.00 -0.30 0.00 0.00 42.92 40.68 9xia s ASP 287 CO 0.08 -0.26 0.12 0.72 -0.17 0.00 0.00 175.17 175.66 9xia s PHE 288 N -0.43 1.39 -0.12 -5.34 -0.71 -1.26 -4.59 117.98 106.91 9xia s PHE 288 Ca 0.19 -1.30 -0.01 0.00 -1.04 0.00 0.00 56.93 54.77 9xia s PHE 288 Cb -0.20 -0.74 0.03 0.00 -1.21 0.00 0.00 43.02 40.90 9xia s PHE 288 CO -0.04 -0.50 -0.03 0.15 -1.34 0.00 0.00 175.22 173.45 9xia s LYS 289 N -4.05 1.11 0.16 1.99 1.02 0.34 -4.37 119.74 115.94 9xia s LYS 289 Ca 0.38 -0.20 -0.31 0.00 0.02 0.00 0.00 55.97 55.85 9xia s LYS 289 Cb 0.07 -1.52 -0.10 0.00 -0.52 0.00 0.00 37.83 35.75 9xia s LYS 289 CO 0.14 -0.35 1.64 -2.14 -0.92 0.00 0.00 175.35 173.71 9xia s PRO 290 N 1.80 4.19 0.48 -1.68 0.02 -1.26 -4.66 135.00 133.88 9xia s PRO 290 Ca 0.03 2.43 -0.21 0.00 0.02 0.00 0.00 61.00 63.28 9xia s PRO 290 Cb -0.13 -3.23 -0.11 0.00 0.02 0.00 0.00 34.50 31.04 9xia s PRO 290 CO -0.07 -0.68 0.56 -2.30 -0.33 0.00 0.00 177.00 174.18 9xia n PRO 291 N 4.34 0.60 0.01 5.54 -0.02 -1.26 -4.83 135.00 139.37 9xia n PRO 291 Ca 0.15 0.22 0.06 0.00 -2.02 0.00 0.00 63.50 61.91 9xia n PRO 291 Cb 0.38 -1.60 0.26 0.00 -0.02 0.00 0.00 33.50 32.51 9xia n PRO 291 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 9xia n ARG 292 N 0.36 0.01 0.08 -0.52 1.85 -1.26 -1.54 116.66 115.64 9xia n ARG 292 Ca 0.11 0.31 0.11 0.00 -1.00 0.00 0.00 57.85 57.38 9xia n ARG 292 Cb 0.43 -1.52 0.44 0.00 -1.05 0.00 0.00 32.46 30.75 9xia n ARG 292 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 9xia n THR 293 N -1.54 0.79 -3.57 8.89 -2.24 -1.26 -4.81 114.28 110.55 9xia n THR 293 Ca 0.03 0.16 -0.27 0.00 -2.27 0.00 0.00 64.05 61.69 9xia n THR 293 Cb 0.14 -0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 67.34 9xia n THR 293 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 9xia s GLU 294 N -3.17 3.55 0.11 -0.78 0.41 -0.59 -5.11 118.70 113.12 9xia s GLU 294 Ca 0.07 -0.24 0.00 0.00 -0.41 0.00 0.00 54.97 54.39 9xia s GLU 294 Cb 0.10 -2.77 0.02 0.00 -1.78 0.00 0.00 34.13 29.71 9xia s GLU 294 CO 0.39 0.33 0.15 -0.40 -0.49 0.00 0.00 175.26 175.24 9xia n ASP 295 N -0.83 0.24 -0.25 -0.19 3.85 -1.26 -4.86 116.55 113.25 9xia n ASP 295 Ca -0.04 -1.20 -0.01 0.00 -0.71 0.00 0.00 54.79 52.84 9xia n ASP 295 Cb 0.54 -0.09 0.20 0.00 -1.35 0.00 0.00 41.12 40.41 9xia n ASP 295 CO 0.00 0.00 0.00 -0.26 -1.01 0.00 0.00 177.20 175.93 9xia h PHE 296 N -0.31 1.03 -0.52 2.11 -1.00 -1.99 -1.83 116.94 114.43 9xia h PHE 296 Ca -0.05 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.75 9xia h PHE 296 Cb 0.19 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.38 9xia h PHE 296 CO 0.00 0.68 0.33 -0.44 -1.61 0.00 0.00 178.31 177.27 9xia h ASP 297 N 1.09 0.56 -0.03 2.17 3.32 -2.00 -1.92 116.42 119.62 9xia h ASP 297 Ca 0.29 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 9xia h ASP 297 Cb -0.07 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 9xia h ASP 297 CO -0.06 0.40 -0.18 1.23 -1.72 0.00 0.00 179.24 178.92 9xia h GLY 298 N 0.67 0.42 0.97 2.75 0.00 -1.78 -1.60 103.07 104.51 9xia h GLY 298 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.23 9xia h GLY 298 CO -0.06 0.28 0.01 -2.08 0.00 0.00 0.00 176.54 174.69 9xia h VAL 299 N 0.36 0.99 -0.16 4.60 2.07 -0.57 -0.49 116.25 123.05 9xia h VAL 299 Ca 0.06 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.45 9xia h VAL 299 Cb 0.52 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 9xia h VAL 299 CO 0.03 0.01 -0.41 -0.50 0.02 0.00 0.00 177.57 176.72 9xia h TRP 300 N 0.03 0.43 -0.57 1.57 4.06 -1.29 -1.90 115.95 118.28 9xia h TRP 300 Ca 0.02 -0.12 -0.09 0.00 2.06 0.00 0.00 58.89 60.76 9xia h TRP 300 Cb 0.01 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.05 9xia h TRP 300 CO -0.09 0.72 0.01 0.00 -3.56 0.00 0.00 178.44 175.52 9xia h ALA 301 N 1.27 0.77 -0.16 1.49 0.00 -1.14 -0.80 119.26 120.67 9xia h ALA 301 Ca 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 9xia h ALA 301 Cb 0.86 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 9xia h ALA 301 CO 0.07 0.59 0.03 1.03 0.00 0.00 0.00 179.25 180.97 9xia h SER 302 N 0.89 0.26 -0.57 0.00 0.87 -0.86 -0.92 113.55 113.22 9xia h SER 302 Ca 0.16 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 9xia h SER 302 Cb 0.54 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 9xia h SER 302 CO 0.03 0.45 0.28 0.00 -0.53 0.00 0.00 176.83 177.06 9xia h ALA 303 N 0.82 0.74 -0.74 6.23 0.00 -1.25 -2.12 119.26 122.94 9xia h ALA 303 Ca 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 9xia h ALA 303 Cb 0.30 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 9xia h ALA 303 CO 0.00 0.29 0.46 0.00 0.00 0.00 0.00 179.25 180.00 9xia h ALA 304 N 1.12 0.94 -0.35 0.00 0.00 -1.07 -2.61 119.26 117.29 9xia h ALA 304 Ca 0.20 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.04 9xia h ALA 304 Cb 0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 9xia h ALA 304 CO -0.03 0.40 0.23 0.78 0.00 0.00 0.00 179.25 180.64 9xia h GLY 305 N 1.01 0.47 0.76 0.00 0.00 -0.62 -2.06 103.07 102.62 9xia h GLY 305 Ca 0.27 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.45 9xia h GLY 305 CO -0.05 0.16 0.08 0.00 0.00 0.00 0.00 176.54 176.73 9xia h MET 307 N 0.19 0.80 -0.28 0.00 2.86 -1.37 -2.70 114.93 114.42 9xia h MET 307 Ca 0.12 -0.58 0.02 0.00 -2.06 0.00 0.00 59.70 57.20 9xia h MET 307 Cb 0.10 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 9xia h MET 307 CO -0.13 1.20 0.14 -0.09 1.06 0.00 0.00 176.91 179.09 9xia h ARG 308 N 0.55 0.28 -0.69 1.72 2.43 -1.22 -1.21 114.38 116.23 9xia h ARG 308 Ca -0.02 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 9xia h ARG 308 Cb 1.25 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 9xia h ARG 308 CO 0.14 0.19 0.42 -0.91 -1.51 0.00 0.00 179.97 178.29 9xia h ASN 309 N 0.29 0.83 -0.30 -3.80 2.35 -1.02 0.13 115.58 114.07 9xia h ASN 309 Ca 0.12 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 9xia h ASN 309 Cb 0.04 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 9xia h ASN 309 CO -0.08 0.65 0.16 0.22 -1.65 0.00 0.00 177.43 176.72 9xia h TYR 310 N 0.95 0.29 -0.56 1.19 3.20 -1.12 -1.32 116.97 119.61 9xia h TYR 310 Ca 0.25 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 9xia h TYR 310 Cb -0.03 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 9xia h TYR 310 CO -0.01 0.16 0.07 -0.07 -1.64 0.00 0.00 178.16 176.67 9xia h LEU 311 N 0.32 0.86 -0.38 2.82 3.38 -0.32 0.12 115.31 122.11 9xia h LEU 311 Ca 0.12 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 9xia h LEU 311 Cb 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 9xia h LEU 311 CO -0.08 0.88 0.02 0.40 0.09 0.00 0.00 178.44 179.75 9xia h ILE 312 N 0.85 1.25 -0.81 1.22 2.04 -0.47 -2.38 117.51 119.21 9xia h ILE 312 Ca 0.17 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 9xia h ILE 312 Cb 0.41 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 9xia h ILE 312 CO 0.01 0.32 0.47 -0.07 0.00 0.00 0.00 178.15 178.89 9xia h LEU 313 N 0.50 0.98 -0.58 1.44 -0.00 -1.00 -1.45 115.31 115.19 9xia h LEU 313 Ca 0.11 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 9xia h LEU 313 Cb 0.44 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.82 9xia h LEU 313 CO 0.02 0.77 0.34 0.50 -0.00 0.00 0.00 178.44 180.06 9xia h LYS 314 N 1.12 0.80 -0.19 1.13 3.64 -0.57 -0.69 116.57 121.82 9xia h LYS 314 Ca 0.29 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 9xia h LYS 314 Cb -0.02 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 9xia h LYS 314 CO -0.05 0.59 0.07 1.49 -2.27 0.00 0.00 179.45 179.28 9xia h GLU 315 N 0.78 0.28 -0.77 1.90 4.81 -0.87 -2.46 114.58 118.26 9xia h GLU 315 Ca 0.21 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 9xia h GLU 315 Cb 0.01 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 9xia h GLU 315 CO -0.04 0.36 0.28 0.00 -0.73 0.00 0.00 179.01 178.88 9xia h ARG 316 N 0.14 1.17 -0.26 1.92 2.47 -1.02 -0.42 114.38 118.38 9xia h ARG 316 Ca 0.06 -0.23 -0.10 0.00 -1.26 0.00 0.00 59.98 58.45 9xia h ARG 316 Cb 0.19 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 9xia h ARG 316 CO -0.00 0.97 -0.27 0.00 0.56 0.00 0.00 179.97 181.22 9xia h ALA 317 N 1.14 1.05 -0.19 0.04 0.00 -1.10 -0.58 119.26 119.61 9xia h ALA 317 Ca 0.25 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 9xia h ALA 317 Cb 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 9xia h ALA 317 CO -0.01 0.58 -0.33 0.00 0.00 0.00 0.00 179.25 179.48 9xia h ALA 318 N 1.26 0.30 -0.52 0.00 0.00 -1.27 -0.79 119.26 118.24 9xia h ALA 318 Ca 0.06 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 9xia h ALA 318 Cb 0.71 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 9xia h ALA 318 CO 0.05 0.34 0.22 0.00 0.00 0.00 0.00 179.25 179.86 9xia h ALA 319 N 0.60 0.67 0.00 0.00 0.00 -0.94 -1.65 119.26 117.95 9xia h ALA 319 Ca 0.01 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.79 9xia h ALA 319 Cb 0.92 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 9xia h ALA 319 CO 0.07 0.28 -0.11 0.35 0.00 0.00 0.00 179.25 179.84 9xia h PHE 320 N 0.70 -0.29 0.00 0.00 3.57 -0.83 -2.24 116.94 117.85 9xia h PHE 320 Ca 0.17 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 9xia h PHE 320 Cb 0.18 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 9xia h PHE 320 CO 0.00 -0.17 -0.36 0.00 -2.23 0.00 0.00 178.31 175.55 9xia h ARG 321 N -0.19 0.00 0.00 1.11 2.47 -0.99 -3.02 114.38 113.75 9xia h ARG 321 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 9xia h ARG 321 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 9xia h ARG 321 CO -0.11 0.36 -0.01 0.00 0.56 0.00 0.00 179.97 180.76 9xia h ALA 322 N 1.64 0.99 -2.24 0.04 0.00 -1.14 -3.44 119.26 115.11 9xia h ALA 322 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 9xia h ALA 322 Cb 0.72 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 9xia h ALA 322 CO 0.05 0.00 0.81 0.34 0.00 0.00 0.00 179.25 180.44 9xia s ASP 323 N -4.76 6.99 0.37 0.00 -1.08 -0.86 -4.92 116.67 112.41 9xia s ASP 323 Ca 0.10 1.78 0.08 0.00 -0.52 0.00 0.00 52.55 53.99 9xia s ASP 323 Cb 0.11 -2.55 0.81 0.00 -1.46 0.00 0.00 42.92 39.83 9xia s ASP 323 CO 0.61 -0.68 1.92 -0.65 0.52 0.00 0.00 175.17 176.90 9xia h PRO 324 N 7.85 0.67 -0.21 4.34 0.11 -1.90 0.16 132.00 143.02 9xia h PRO 324 Ca -0.31 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.69 9xia h PRO 324 Cb 1.14 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 9xia h PRO 324 CO 0.92 0.44 -0.19 1.49 -0.21 0.00 0.00 178.00 180.46 9xia h GLU 325 N 0.69 0.36 -0.11 1.05 4.81 -1.95 -1.70 114.58 117.73 9xia h GLU 325 Ca 0.37 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 59.33 9xia h GLU 325 Cb 0.49 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.84 9xia h GLU 325 CO -0.14 0.54 -0.55 0.28 -0.73 0.00 0.00 179.01 178.41 9xia h VAL 326 N 0.33 1.36 -0.90 0.32 2.07 -1.01 -1.90 116.25 116.52 9xia h VAL 326 Ca 0.06 -1.85 0.10 0.00 0.82 0.00 0.00 66.70 65.82 9xia h VAL 326 Cb 0.52 2.18 -0.08 0.00 -1.52 0.00 0.00 31.29 32.40 9xia h VAL 326 CO 0.03 0.56 0.54 1.56 0.02 0.00 0.00 177.57 180.28 9xia h GLN 327 N 0.17 0.86 -0.42 1.57 4.20 -0.99 0.28 115.11 120.78 9xia h GLN 327 Ca -0.04 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 9xia h GLN 327 Cb 1.19 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 9xia h GLN 327 CO 0.11 0.57 0.13 1.49 -0.67 0.00 0.00 178.83 180.47 9xia h GLU 328 N 0.89 0.65 -0.61 1.46 4.81 -1.32 -2.27 114.58 118.18 9xia h GLU 328 Ca 0.43 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.47 9xia h GLU 328 Cb 0.39 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 9xia h GLU 328 CO -0.25 0.64 0.14 0.00 -0.73 0.00 0.00 179.01 178.81 9xia h ALA 329 N 0.98 1.09 -0.86 2.92 0.00 -0.32 0.98 119.26 124.04 9xia h ALA 329 Ca 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 9xia h ALA 329 Cb 0.26 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 9xia h ALA 329 CO -0.00 0.60 0.44 -0.07 0.00 0.00 0.00 179.25 180.22 9xia h LEU 330 N 0.92 1.11 -0.58 0.00 3.38 -0.28 0.05 115.31 119.90 9xia h LEU 330 Ca 0.20 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 9xia h LEU 330 Cb 0.34 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 9xia h LEU 330 CO 0.00 0.91 -0.31 0.03 0.09 0.00 0.00 178.44 179.16 9xia h ARG 331 N 1.22 0.79 -0.02 1.13 3.08 -0.90 -1.00 114.38 118.68 9xia h ARG 331 Ca 0.30 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 9xia h ARG 331 Cb 0.07 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 9xia h ARG 331 CO -0.04 0.99 -0.15 0.00 -1.07 0.00 0.00 179.97 179.70 9xia h ALA 332 N 0.98 1.71 -0.35 0.04 0.00 0.08 -1.37 119.26 120.34 9xia h ALA 332 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 9xia h ALA 332 Cb 0.85 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 9xia h ALA 332 CO 0.07 0.22 0.00 0.43 0.00 0.00 0.00 179.25 179.98 9xia n SER 333 N -4.34 2.57 -1.69 0.00 7.64 -0.08 -4.76 113.62 112.95 9xia n SER 333 Ca -0.02 -1.89 -0.15 0.00 1.01 0.00 0.00 58.87 57.82 9xia n SER 333 Cb 0.23 -0.23 -0.01 0.00 -1.01 0.00 0.00 64.21 63.20 9xia n SER 333 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 9xia n ARG 334 N 0.91 -1.19 0.17 1.43 3.00 -0.52 -4.90 116.66 115.55 9xia n ARG 334 Ca 0.17 0.73 0.04 0.00 -0.01 0.00 0.00 57.85 58.79 9xia n ARG 334 Cb 0.45 -5.06 0.47 0.00 0.00 0.00 0.00 32.46 28.32 9xia n ARG 334 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 9xia h LEU 335 N 0.00 0.13 -0.91 0.55 -0.00 -1.45 -1.42 115.31 112.22 9xia h LEU 335 Ca -0.35 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.88 57.44 9xia h LEU 335 Cb 1.26 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.86 9xia h LEU 335 CO 0.42 0.25 0.05 -2.24 -0.00 0.00 0.00 178.44 176.92 9xia h ASP 336 N 0.14 0.82 0.73 -0.43 -0.00 -1.89 -2.67 116.42 113.12 9xia h ASP 336 Ca 0.03 -0.18 -0.13 0.00 -0.00 0.00 0.00 57.03 56.74 9xia h ASP 336 Cb 0.26 -0.22 -0.02 0.00 -0.00 0.00 0.00 39.33 39.36 9xia h ASP 336 CO 0.01 0.85 -0.64 -0.33 -0.00 0.00 0.00 179.24 179.14 9xia h GLU 337 N 0.81 0.00 -0.09 4.15 5.08 -1.67 -3.04 114.58 119.82 9xia h GLU 337 Ca 0.16 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 9xia h GLU 337 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 9xia h GLU 337 CO 0.01 0.64 -0.15 1.25 -1.00 0.00 0.00 179.01 179.76 9xia h LEU 338 N 0.00 0.13 0.00 1.33 5.85 -0.98 -2.31 115.31 119.33 9xia h LEU 338 Ca -0.01 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.69 9xia h LEU 338 Cb 1.17 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.17 9xia h LEU 338 CO 0.08 0.30 0.00 0.00 -0.34 0.00 0.00 178.44 178.48 9xia n ALA 339 N -2.50 2.17 -2.75 1.25 0.00 -1.15 -4.83 120.51 112.71 9xia n ALA 339 Ca -0.01 -0.10 -0.34 0.00 0.00 0.00 0.00 53.44 52.99 9xia n ALA 339 Cb 0.26 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 9xia n ALA 339 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 9xia s ARG 340 N -2.82 3.59 0.39 0.00 0.52 -0.87 -5.05 118.95 114.70 9xia s ARG 340 Ca 0.17 -0.10 -0.27 0.00 -0.52 0.00 0.00 55.73 55.01 9xia s ARG 340 Cb 0.16 -3.03 -0.11 0.00 0.52 0.00 0.00 34.95 32.50 9xia s ARG 340 CO 0.41 0.61 1.39 -2.30 0.02 0.00 0.00 175.30 175.43 9xia n PRO 341 N 0.83 2.36 0.03 3.54 -0.02 -1.26 -4.90 135.00 135.57 9xia n PRO 341 Ca -0.09 0.83 -0.09 0.00 -2.02 0.00 0.00 63.50 62.14 9xia n PRO 341 Cb 0.52 -2.53 0.07 0.00 -0.02 0.00 0.00 33.50 31.54 9xia n PRO 341 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 9xia h THR 342 N 2.61 1.34 -1.05 3.45 2.02 -1.94 -3.39 112.91 115.95 9xia h THR 342 Ca -0.49 -1.86 -0.39 0.00 0.77 0.00 0.00 66.41 64.44 9xia h THR 342 Cb 1.26 1.85 -0.27 0.00 -1.74 0.00 0.00 68.15 69.25 9xia h THR 342 CO 0.62 0.57 -0.82 0.00 0.37 0.00 0.00 175.52 176.27 9xia n ALA 343 N -2.51 0.61 0.28 6.16 0.00 -1.26 -4.93 120.51 118.86 9xia n ALA 343 Ca -0.03 -2.45 0.17 0.00 0.00 0.00 0.00 53.44 51.12 9xia n ALA 343 Cb 0.62 -1.06 0.74 0.00 0.00 0.00 0.00 19.45 19.75 9xia n ALA 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 9xia h ALA 344 N 3.77 1.03 0.00 0.00 0.00 -1.99 -1.08 119.26 120.99 9xia h ALA 344 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 9xia h ALA 344 Cb 0.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 9xia h ALA 344 CO 0.38 0.05 0.00 0.38 0.00 0.00 0.00 179.25 180.06 9xia h ASP 345 N 0.00 0.00 -4.69 0.00 -0.00 -1.96 -3.49 116.42 106.29 9xia h ASP 345 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 9xia h ASP 345 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.79 9xia h ASP 345 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.85 9xia n GLY 346 N -0.16 0.66 0.13 7.15 0.00 -0.41 -4.30 105.19 108.26 9xia n GLY 346 Ca 0.01 -1.78 -0.07 0.00 0.00 0.00 0.00 46.02 44.18 9xia n GLY 346 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 9xia h LEU 347 N 0.00 -0.14 -0.64 0.99 6.46 -1.94 -0.80 115.31 119.23 9xia h LEU 347 Ca 0.00 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.85 9xia h LEU 347 Cb 0.00 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 9xia h LEU 347 CO 0.00 -0.04 0.40 -0.61 -0.62 0.00 0.00 178.44 177.58 9xia h GLN 348 N 0.06 0.78 -0.46 1.25 5.75 -1.99 0.10 115.11 120.60 9xia h GLN 348 Ca 0.13 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 9xia h GLN 348 Cb 0.17 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 9xia h GLN 348 CO -0.23 0.51 0.29 0.00 -2.65 0.00 0.00 178.83 176.76 9xia h ALA 349 N 1.27 0.58 -0.69 3.38 0.00 -1.71 -0.70 119.26 121.39 9xia h ALA 349 Ca 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 9xia h ALA 349 Cb -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 9xia h ALA 349 CO -0.09 0.05 0.26 1.25 0.00 0.00 0.00 179.25 180.71 9xia h LEU 350 N 0.61 0.98 -1.45 0.00 5.85 -0.55 0.23 115.31 120.98 9xia h LEU 350 Ca 0.17 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 9xia h LEU 350 Cb -0.04 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 9xia h LEU 350 CO -0.03 0.90 0.02 -0.07 -0.34 0.00 0.00 178.44 178.92 9xia h LEU 351 N 1.00 0.35 0.00 2.25 3.38 -0.27 -2.54 115.31 119.48 9xia h LEU 351 Ca 0.23 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.15 9xia h LEU 351 Cb 0.24 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.90 9xia h LEU 351 CO -0.01 0.39 -0.47 0.47 0.09 0.00 0.00 178.44 178.90 9xia n ASP 352 N -4.35 0.50 -4.57 -0.43 10.43 -0.32 -4.83 116.55 112.98 9xia n ASP 352 Ca 0.01 -0.03 -0.41 0.00 2.57 0.00 0.00 54.79 56.92 9xia n ASP 352 Cb 0.19 0.12 -0.03 0.00 1.84 0.00 0.00 41.12 43.24 9xia n ASP 352 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 9xia s ASP 353 N -3.40 5.88 0.50 -2.24 3.68 0.03 -4.88 116.67 116.25 9xia s ASP 353 Ca 0.10 0.46 0.27 0.00 2.13 0.00 0.00 52.55 55.50 9xia s ASP 353 Cb 0.16 -2.54 1.30 0.00 -1.45 0.00 0.00 42.92 40.40 9xia s ASP 353 CO 0.68 -1.87 2.00 0.03 0.13 0.00 0.00 175.17 176.14 9xia h ARG 354 N 12.29 0.00 0.00 4.34 3.08 -1.88 -2.50 114.38 129.71 9xia h ARG 354 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 9xia h ARG 354 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 9xia h ARG 354 CO 1.16 0.15 0.00 0.66 -1.07 0.00 0.00 179.97 180.87 9xia h SER 355 N 0.00 0.00 0.58 7.04 4.64 -1.89 0.52 113.55 124.43 9xia h SER 355 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 9xia h SER 355 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 9xia h SER 355 CO 0.02 0.00 -0.22 0.00 -0.87 0.00 0.00 176.83 175.76 9xia n ALA 356 N -1.98 2.93 -0.33 5.18 0.00 -0.94 -3.90 120.51 121.47 9xia n ALA 356 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.20 9xia n ALA 356 Cb 0.35 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.52 9xia n ALA 356 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 9xia n PHE 357 N -1.27 -1.31 -0.20 0.00 -0.00 -1.06 -4.81 117.46 108.81 9xia n PHE 357 Ca 0.09 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.55 9xia n PHE 357 Cb 0.32 0.34 0.10 0.00 -0.00 0.00 0.00 39.48 40.24 9xia n PHE 357 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 9xia h GLU 358 N 0.00 0.16 -0.24 -4.13 3.07 -1.77 -1.68 114.58 109.98 9xia h GLU 358 Ca 0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 9xia h GLU 358 Cb 0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 9xia h GLU 358 CO 0.00 0.10 -0.00 0.39 -1.40 0.00 0.00 179.01 178.10 9xia n GLU 359 N -5.23 2.71 -2.59 2.33 1.02 0.18 -4.99 120.64 114.08 9xia n GLU 359 Ca 0.09 -2.84 -0.41 0.00 -0.02 0.00 0.00 57.16 53.97 9xia n GLU 359 Cb 0.34 -1.82 -0.04 0.00 -0.02 0.00 0.00 31.44 29.91 9xia n GLU 359 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 9xia s PHE 360 N -2.86 3.62 -0.70 -0.32 5.36 -0.64 -4.83 117.98 117.62 9xia s PHE 360 Ca 0.42 1.60 -0.19 0.00 -0.96 0.00 0.00 56.93 57.80 9xia s PHE 360 Cb 0.34 -3.22 0.12 0.00 -0.34 0.00 0.00 43.02 39.92 9xia s PHE 360 CO 0.08 -0.44 0.83 0.34 -1.46 0.00 0.00 175.22 174.56 9xia s ASP 361 N 0.43 6.36 0.13 6.13 3.68 -1.26 -4.90 116.67 127.24 9xia s ASP 361 Ca 0.52 -1.70 -0.15 0.00 2.13 0.00 0.00 52.55 53.34 9xia s ASP 361 Cb -0.26 -2.32 -0.00 0.00 -1.45 0.00 0.00 42.92 38.89 9xia s ASP 361 CO 0.31 -1.06 1.65 -0.37 0.13 0.00 0.00 175.17 175.83 9xia h VAL 362 N 5.75 1.22 -0.53 1.11 -1.51 -1.96 -1.96 116.25 118.37 9xia h VAL 362 Ca -0.14 -0.73 -0.04 0.00 -1.23 0.00 0.00 66.70 64.56 9xia h VAL 362 Cb 1.07 0.90 -0.03 0.00 -2.13 0.00 0.00 31.29 31.10 9xia h VAL 362 CO 1.06 0.26 0.17 0.44 -1.23 0.00 0.00 177.57 178.27 9xia h ASP 363 N 0.54 0.72 -0.13 4.19 3.32 -1.98 1.00 116.42 124.06 9xia h ASP 363 Ca 0.14 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 9xia h ASP 363 Cb 0.27 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 9xia h ASP 363 CO -0.00 0.68 -0.20 0.00 -1.72 0.00 0.00 179.24 178.00 9xia h ALA 364 N 1.42 0.20 -0.58 3.45 0.00 -1.96 -2.55 119.26 119.23 9xia h ALA 364 Ca 0.18 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 9xia h ALA 364 Cb 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 9xia h ALA 364 CO -0.01 0.13 0.12 0.00 0.00 0.00 0.00 179.25 179.49 9xia h ALA 365 N 0.56 0.77 -0.42 0.00 0.00 -1.14 -3.05 119.26 115.98 9xia h ALA 365 Ca 0.01 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.74 9xia h ALA 365 Cb 0.76 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 9xia h ALA 365 CO 0.05 0.50 0.28 0.00 0.00 0.00 0.00 179.25 180.08 9xia h ALA 366 N 1.02 1.95 0.00 0.00 0.00 -0.74 -2.26 119.26 119.23 9xia h ALA 366 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 9xia h ALA 366 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 9xia h ALA 366 CO 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.24 9xia h ALA 367 N 1.77 1.00 -2.21 0.00 0.00 -1.34 -3.44 119.26 115.04 9xia h ALA 367 Ca 0.18 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.53 9xia h ALA 367 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 9xia h ALA 367 CO -0.04 0.00 0.92 1.03 0.00 0.00 0.00 179.25 181.15 9xia s ARG 368 N -3.20 4.24 0.54 0.00 0.52 -0.85 -5.01 118.95 115.19 9xia s ARG 368 Ca 0.08 1.81 -0.19 0.00 -0.52 0.00 0.00 55.73 56.90 9xia s ARG 368 Cb 0.11 -3.77 -0.06 0.00 0.52 0.00 0.00 34.95 31.74 9xia s ARG 368 CO 0.55 -0.70 1.12 0.20 0.02 0.00 0.00 175.30 176.48 9xia s GLY 369 N 2.22 2.61 0.10 -3.53 0.00 -1.26 -4.95 107.32 102.50 9xia s GLY 369 Ca 0.60 0.79 0.25 0.00 0.00 0.00 0.00 44.72 46.36 9xia s GLY 369 CO 0.20 1.15 1.41 1.03 0.00 0.00 0.00 173.10 176.88 9xia n MET 370 N -1.27 0.22 -2.45 2.90 0.00 -1.26 -4.94 117.12 110.31 9xia n MET 370 Ca 0.11 0.08 -0.19 0.00 0.00 0.00 0.00 57.70 57.70 9xia n MET 370 Cb 0.51 -1.65 -0.01 0.00 0.00 0.00 0.00 33.22 32.07 9xia n MET 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 9xia n ALA 371 N -1.75 -0.68 0.14 3.04 0.00 -1.26 -4.17 120.51 115.83 9xia n ALA 371 Ca 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.63 9xia n ALA 371 Cb 0.41 -2.16 0.20 0.00 0.00 0.00 0.00 19.45 17.90 9xia n ALA 371 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 9xia h PHE 372 N -0.09 0.06 -0.31 0.00 0.04 -1.96 -2.97 116.94 111.71 9xia h PHE 372 Ca -0.46 -0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.14 9xia h PHE 372 Cb 1.34 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.47 9xia h PHE 372 CO 0.59 0.60 -0.41 0.93 -0.60 0.00 0.00 178.31 179.41 9xia h GLU 373 N 0.04 0.77 -0.22 1.51 4.39 -1.98 0.24 114.58 119.32 9xia h GLU 373 Ca -0.00 -0.41 -0.03 0.00 0.34 0.00 0.00 59.36 59.25 9xia h GLU 373 Cb 1.01 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 9xia h GLU 373 CO 0.08 1.04 0.02 -0.09 -1.16 0.00 0.00 179.01 178.90 9xia h ARG 374 N 0.63 0.38 -0.44 2.33 2.43 -1.98 -0.76 114.38 116.97 9xia h ARG 374 Ca 0.05 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 9xia h ARG 374 Cb 0.97 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.45 9xia h ARG 374 CO 0.09 0.54 0.24 1.25 -1.51 0.00 0.00 179.97 180.58 9xia h LEU 375 N 0.17 0.37 -1.23 3.80 5.85 -1.39 -1.88 115.31 121.01 9xia h LEU 375 Ca 0.07 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 9xia h LEU 375 Cb 0.35 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 9xia h LEU 375 CO 0.01 0.26 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.57 9xia h ASP 376 N 0.48 0.47 0.11 1.25 1.82 -0.20 -1.23 116.42 119.12 9xia h ASP 376 Ca 0.18 -0.09 -0.13 0.00 -0.39 0.00 0.00 57.03 56.60 9xia h ASP 376 Cb 0.05 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 9xia h ASP 376 CO -0.11 0.56 -0.44 -0.61 -1.61 0.00 0.00 179.24 177.03 9xia h GLN 377 N 0.48 0.41 -0.66 0.28 5.75 -0.86 -0.68 115.11 119.83 9xia h GLN 377 Ca 0.10 -0.21 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 9xia h GLN 377 Cb 0.35 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 9xia h GLN 377 CO 0.01 0.77 0.39 -0.07 -2.65 0.00 0.00 178.83 177.29 9xia h LEU 378 N 0.33 0.80 -1.08 -2.39 3.38 -0.70 0.88 115.31 116.53 9xia h LEU 378 Ca 0.03 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 9xia h LEU 378 Cb 0.91 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 9xia h LEU 378 CO 0.08 0.63 0.17 0.00 0.09 0.00 0.00 178.44 179.40 9xia h ALA 379 N 1.20 1.26 -0.08 1.53 0.00 -0.88 -0.66 119.26 121.64 9xia h ALA 379 Ca 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 9xia h ALA 379 Cb -0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 9xia h ALA 379 CO -0.04 0.53 0.01 1.98 0.00 0.00 0.00 179.25 181.72 9xia h MET 380 N 0.80 0.13 -0.58 0.00 1.85 -0.62 0.75 114.93 117.26 9xia h MET 380 Ca 0.18 -0.04 0.06 0.00 -0.61 0.00 0.00 59.70 59.29 9xia h MET 380 Cb 0.24 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.21 9xia h MET 380 CO -0.01 0.37 0.30 -0.44 -0.40 0.00 0.00 176.91 176.73 9xia h ASP 381 N -0.13 0.42 -0.31 1.39 3.45 -0.67 -1.08 116.42 119.49 9xia h ASP 381 Ca 0.02 0.03 -0.05 0.00 0.43 0.00 0.00 57.03 57.47 9xia h ASP 381 Cb 0.31 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 9xia h ASP 381 CO 0.00 0.28 0.00 0.45 -1.57 0.00 0.00 179.24 178.41 9xia h HIS 382 N 0.56 0.60 -0.59 4.55 3.86 -0.95 0.28 115.15 123.46 9xia h HIS 382 Ca 0.26 -0.10 0.07 0.00 -1.16 0.00 0.00 60.37 59.44 9xia h HIS 382 Cb 0.18 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.44 9xia h HIS 382 CO -0.10 0.67 0.27 1.25 0.86 0.00 0.00 177.93 180.88 9xia h LEU 383 N 0.35 0.34 -0.03 2.43 5.85 -0.48 -2.52 115.31 121.26 9xia h LEU 383 Ca 0.09 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.86 9xia h LEU 383 Cb 0.43 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 9xia h LEU 383 CO 0.02 0.22 -0.01 0.18 -0.34 0.00 0.00 178.44 178.51 9xia n LEU 384 N -4.91 0.05 -1.77 2.25 4.77 -0.44 -4.91 117.00 112.04 9xia n LEU 384 Ca 0.07 0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 56.12 9xia n LEU 384 Cb 0.21 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 9xia n LEU 384 CO 0.26 0.01 0.05 0.61 -1.33 0.00 0.00 177.39 176.99 9xia n GLY 385 N 1.21 0.15 1.50 -0.72 0.00 -0.49 -4.89 105.19 101.95 9xia n GLY 385 Ca 0.17 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 9xia n GLY 385 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9xia n ALA 386 N -3.10 4.76 -0.82 4.61 0.00 0.88 -5.04 120.51 121.80 9xia n ALA 386 Ca -0.03 -3.23 0.00 0.00 0.00 0.00 0.00 53.44 50.18 9xia n ALA 386 Cb 0.55 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.12 9xia n ALA 386 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04