#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8xia s ASN 2 N 0.00 4.20 -0.45 3.17 0.01 -1.26 -5.10 114.94 115.50 8xia s ASN 2 Ca 0.00 -0.76 0.03 0.00 -0.71 0.00 0.00 52.86 51.42 8xia s ASN 2 Cb 0.00 -0.65 0.15 0.00 0.41 0.00 0.00 41.25 41.16 8xia s ASN 2 CO 0.00 0.03 0.30 -0.31 -1.51 0.00 0.00 177.10 175.61 8xia s TYR 3 N -2.28 1.69 -0.22 2.20 1.51 -1.26 -5.11 117.35 113.88 8xia s TYR 3 Ca 0.30 -2.36 -0.13 0.00 -1.01 0.00 0.00 57.07 53.86 8xia s TYR 3 Cb -0.06 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 8xia s TYR 3 CO 0.18 -0.77 0.29 -0.65 -1.11 0.00 0.00 175.55 173.48 8xia s GLN 4 N 0.16 4.12 0.47 -0.62 -1.52 -1.26 -4.71 119.66 116.29 8xia s GLN 4 Ca 0.23 -0.02 -0.20 0.00 -1.95 0.00 0.00 55.36 53.42 8xia s GLN 4 Cb -0.13 -3.55 -0.09 0.00 -0.22 0.00 0.00 33.01 29.02 8xia s GLN 4 CO -0.08 -0.01 1.02 -1.25 -0.25 0.00 0.00 175.29 174.72 8xia s PRO 5 N 1.25 3.90 0.09 2.91 0.05 -1.26 -5.07 135.00 136.88 8xia s PRO 5 Ca 0.14 1.29 0.03 0.00 0.05 0.00 0.00 61.00 62.51 8xia s PRO 5 Cb -0.14 -2.12 -0.04 0.00 0.05 0.00 0.00 34.50 32.26 8xia s PRO 5 CO 0.07 -0.33 -0.09 0.95 0.05 0.00 0.00 177.00 177.64 8xia s THR 6 N -2.05 0.84 0.60 1.26 -4.23 -1.25 -4.64 115.64 106.17 8xia s THR 6 Ca 0.66 -1.64 0.28 0.00 -1.18 0.00 0.00 61.69 59.81 8xia s THR 6 Cb -0.14 -1.34 0.38 0.00 1.34 0.00 0.00 72.50 72.74 8xia s THR 6 CO 0.18 -0.61 1.70 -0.65 -0.54 0.00 0.00 174.62 174.71 8xia h PRO 7 N 3.54 0.00 0.00 3.99 0.11 -1.80 0.35 132.00 138.19 8xia h PRO 7 Ca -0.37 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 8xia h PRO 7 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 8xia h PRO 7 CO 0.54 0.00 -0.00 0.93 -0.21 0.00 0.00 178.00 179.26 8xia h GLU 8 N 0.00 0.00 0.00 1.05 4.39 -1.95 -2.22 114.58 115.85 8xia h GLU 8 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 8xia h GLU 8 Cb 1.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.36 8xia h GLU 8 CO -0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 8xia n ASP 9 N -3.09 0.00 -2.98 1.42 10.43 0.12 -4.94 116.55 117.51 8xia n ASP 9 Ca -0.01 0.41 -0.21 0.00 2.57 0.00 0.00 54.79 57.55 8xia n ASP 9 Cb 0.21 -0.47 0.05 0.00 1.84 0.00 0.00 41.12 42.75 8xia n ASP 9 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 8xia n ARG 10 N -1.47 -5.51 -2.86 -1.24 5.12 -0.84 -4.71 116.66 105.15 8xia n ARG 10 Ca 0.07 0.81 -0.41 0.00 -1.93 0.00 0.00 57.85 56.39 8xia n ARG 10 Cb 0.28 -5.57 -0.04 0.00 -1.16 0.00 0.00 32.46 25.97 8xia n ARG 10 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 8xia s PHE 11 N -3.19 3.49 0.15 -1.55 0.08 -1.26 -0.76 117.98 114.94 8xia s PHE 11 Ca 0.37 1.36 0.06 0.00 0.12 0.00 0.00 56.93 58.84 8xia s PHE 11 Cb -0.16 -3.02 -0.04 0.00 -0.57 0.00 0.00 43.02 39.23 8xia s PHE 11 CO 0.46 -0.15 -0.13 0.95 -0.10 0.00 0.00 175.22 176.24 8xia s THR 12 N 1.76 1.37 0.01 0.64 -4.23 -0.59 0.36 115.64 114.97 8xia s THR 12 Ca 0.41 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 8xia s THR 12 Cb -0.18 -1.72 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 8xia s THR 12 CO 0.16 -0.54 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.29 8xia s PHE 13 N -2.62 0.39 0.48 3.99 0.08 -1.10 -0.51 117.98 118.69 8xia s PHE 13 Ca 0.14 -0.25 -0.19 0.00 0.12 0.00 0.00 56.93 56.74 8xia s PHE 13 Cb -0.02 -0.25 -0.09 0.00 -0.57 0.00 0.00 43.02 42.09 8xia s PHE 13 CO 0.03 -0.06 0.99 0.20 -0.10 0.00 0.00 175.22 176.29 8xia s GLY 14 N -0.71 2.32 0.46 4.36 0.00 -1.23 -1.84 107.32 110.69 8xia s GLY 14 Ca -0.05 0.41 0.11 0.00 0.00 0.00 0.00 44.72 45.19 8xia s GLY 14 CO -0.00 0.70 2.10 1.41 0.00 0.00 0.00 173.10 177.31 8xia h LEU 15 N 1.45 0.26 0.00 0.66 3.38 -1.60 -2.13 115.31 117.33 8xia h LEU 15 Ca -0.48 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 8xia h LEU 15 Cb 1.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.88 8xia h LEU 15 CO 0.60 0.19 0.00 -2.67 0.09 0.00 0.00 178.44 176.65 8xia n TRP 16 N -4.50 0.00 0.00 1.13 2.14 -1.26 -1.98 117.44 112.96 8xia n TRP 16 Ca 0.01 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.58 8xia n TRP 16 Cb 0.08 -0.41 0.00 0.00 -0.81 0.00 0.00 31.31 30.17 8xia n TRP 16 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 8xia n THR 17 N -1.41 0.00 0.29 -1.67 -2.24 -0.80 -2.92 114.28 105.54 8xia n THR 17 Ca 0.06 0.36 0.18 0.00 -2.27 0.00 0.00 64.05 62.37 8xia n THR 17 Cb 0.18 -1.16 0.90 0.00 -2.10 0.00 0.00 70.33 68.15 8xia n THR 17 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 8xia h VAL 18 N 0.00 0.22 -0.00 2.28 -1.51 -1.72 -2.09 116.25 113.42 8xia h VAL 18 Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 8xia h VAL 18 Cb 0.00 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 8xia h VAL 18 CO 0.00 0.04 -0.02 0.61 -1.23 0.00 0.00 177.57 176.97 8xia n GLY 19 N -0.65 -0.77 3.67 5.19 0.00 -0.84 -4.88 105.19 106.91 8xia n GLY 19 Ca -0.02 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 8xia n GLY 19 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 8xia s TRP 20 N -2.14 2.32 -0.76 1.61 -0.00 -0.78 -4.67 118.94 114.52 8xia s TRP 20 Ca 0.40 0.42 0.24 0.00 -0.00 0.00 0.00 56.10 57.16 8xia s TRP 20 Cb 0.21 -3.84 0.92 0.00 -0.00 0.00 0.00 33.47 30.76 8xia s TRP 20 CO 0.39 -3.37 1.74 1.04 -0.00 0.00 0.00 176.95 176.75 8xia n GLN 21 N 6.41 0.15 -0.48 5.86 6.02 -1.26 -4.90 117.38 129.17 8xia n GLN 21 Ca 0.16 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 8xia n GLN 21 Cb 0.43 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.97 8xia n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 8xia n GLY 22 N 0.78 0.73 3.68 1.08 0.00 -1.26 -1.04 105.19 109.16 8xia n GLY 22 Ca 0.05 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 8xia n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 8xia s ARG 23 N -0.99 4.39 0.45 1.61 3.52 -1.26 -4.41 118.95 122.26 8xia s ARG 23 Ca 0.00 1.46 0.03 0.00 -0.13 0.00 0.00 55.73 57.09 8xia s ARG 23 Cb 0.00 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 8xia s ARG 23 CO 0.00 -0.38 0.07 0.16 -0.81 0.00 0.00 175.30 174.34 8xia s ASP 24 N 1.21 3.42 0.59 -2.12 3.84 -0.66 -4.98 116.67 117.97 8xia s ASP 24 Ca 0.50 -1.64 0.29 0.00 -0.00 0.00 0.00 52.55 51.70 8xia s ASP 24 Cb -0.20 0.45 1.69 0.00 -1.38 0.00 0.00 42.92 43.48 8xia s ASP 24 CO 0.18 -0.86 2.14 1.55 -0.00 0.00 0.00 175.17 178.18 8xia h PRO 25 N 1.61 0.00 -0.26 2.11 0.13 -2.02 -2.63 132.00 130.95 8xia h PRO 25 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 8xia h PRO 25 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 8xia h PRO 25 CO 0.66 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.62 8xia n PHE 26 N -3.82 0.34 -3.46 1.56 3.72 -1.26 -5.06 117.46 109.48 8xia n PHE 26 Ca 0.00 -0.42 -0.14 0.00 -0.05 0.00 0.00 57.45 56.84 8xia n PHE 26 Cb 0.26 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 8xia n PHE 26 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 8xia s GLY 27 N -0.97 -0.60 0.79 1.37 0.00 -0.99 -5.16 107.32 101.77 8xia s GLY 27 Ca 0.19 0.81 -0.11 0.00 0.00 0.00 0.00 44.72 45.60 8xia s GLY 27 CO 0.13 0.45 1.09 0.99 0.00 0.00 0.00 173.10 175.77 8xia s ASP 28 N -2.19 4.54 0.52 1.64 1.01 -1.26 -1.64 116.67 119.28 8xia s ASP 28 Ca -0.03 1.39 -0.23 0.00 0.71 0.00 0.00 52.55 54.39 8xia s ASP 28 Cb -0.01 -2.14 -0.06 0.00 1.01 0.00 0.00 42.92 41.72 8xia s ASP 28 CO -0.05 -1.95 1.39 0.00 0.21 0.00 0.00 175.17 174.77 8xia s ALA 29 N -3.11 2.96 -0.76 5.23 0.00 -1.26 -4.40 121.76 120.42 8xia s ALA 29 Ca 0.61 1.40 0.09 0.00 0.00 0.00 0.00 51.96 54.06 8xia s ALA 29 Cb -0.15 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 8xia s ALA 29 CO 0.55 -1.34 0.56 0.25 0.00 0.00 0.00 175.76 175.77 8xia n THR 30 N -0.77 0.00 -4.02 0.00 -2.24 -0.21 -4.94 114.28 102.10 8xia n THR 30 Ca 0.09 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.37 8xia n THR 30 Cb 0.44 1.09 -0.12 0.00 -2.10 0.00 0.00 70.33 69.64 8xia n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 8xia s ARG 31 N -1.41 0.41 0.68 -0.78 0.52 -0.76 -5.00 118.95 112.61 8xia s ARG 31 Ca 0.07 -0.63 -0.12 0.00 -0.52 0.00 0.00 55.73 54.52 8xia s ARG 31 Cb 0.07 -0.12 0.01 0.00 0.52 0.00 0.00 34.95 35.43 8xia s ARG 31 CO 0.26 0.01 1.07 -0.98 0.02 0.00 0.00 175.30 175.68 8xia s ARG 32 N -1.38 2.89 0.52 3.54 1.70 -1.26 -4.69 118.95 120.26 8xia s ARG 32 Ca -0.11 1.11 -0.22 0.00 -0.47 0.00 0.00 55.73 56.04 8xia s ARG 32 Cb -0.09 -1.98 -0.06 0.00 -0.57 0.00 0.00 34.95 32.25 8xia s ARG 32 CO -0.00 -1.15 1.24 0.00 -1.08 0.00 0.00 175.30 174.30 8xia s ALA 33 N -2.78 2.83 -0.10 7.88 0.00 -1.26 -4.88 121.76 123.45 8xia s ALA 33 Ca 0.61 1.08 -0.04 0.00 0.00 0.00 0.00 51.96 53.61 8xia s ALA 33 Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 8xia s ALA 33 CO 0.49 -1.00 0.05 -0.51 0.00 0.00 0.00 175.76 174.80 8xia s LEU 34 N -3.41 3.89 0.03 0.00 1.43 -1.26 -5.08 118.68 114.28 8xia s LEU 34 Ca 0.69 0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.76 8xia s LEU 34 Cb -0.33 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 8xia s LEU 34 CO 0.38 0.39 1.06 -0.62 0.23 0.00 0.00 176.35 177.79 8xia s ASP 35 N -0.95 7.28 0.45 2.29 3.68 -1.26 -4.91 116.67 123.25 8xia s ASP 35 Ca 0.14 1.80 0.27 0.00 2.13 0.00 0.00 52.55 56.89 8xia s ASP 35 Cb -0.12 -2.58 1.32 0.00 -1.45 0.00 0.00 42.92 40.09 8xia s ASP 35 CO 0.03 -0.32 1.74 -0.65 0.13 0.00 0.00 175.17 176.10 8xia h PRO 36 N 6.65 0.20 -0.57 4.34 0.11 -1.98 0.24 132.00 141.01 8xia h PRO 36 Ca -0.41 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 8xia h PRO 36 Cb 1.22 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 8xia h PRO 36 CO 0.77 0.13 0.10 -0.39 -0.21 0.00 0.00 178.00 178.40 8xia h VAL 37 N 0.21 1.24 -0.39 3.15 -1.51 -1.92 -1.50 116.25 115.53 8xia h VAL 37 Ca 0.65 -0.93 -0.12 0.00 -1.23 0.00 0.00 66.70 65.07 8xia h VAL 37 Cb 2.03 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.89 8xia h VAL 37 CO -0.24 0.34 -0.23 -0.08 -1.23 0.00 0.00 177.57 176.13 8xia h GLU 38 N 0.85 0.84 -0.64 5.19 4.81 -0.91 -2.47 114.58 122.26 8xia h GLU 38 Ca 0.18 -0.39 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 8xia h GLU 38 Cb 0.37 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 8xia h GLU 38 CO 0.01 1.03 0.25 0.77 -0.73 0.00 0.00 179.01 180.33 8xia h SER 39 N 0.65 0.88 -0.22 1.04 0.02 -1.20 -0.62 113.55 114.10 8xia h SER 39 Ca 0.08 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 8xia h SER 39 Cb 0.80 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 8xia h SER 39 CO 0.07 0.81 0.04 0.58 -1.14 0.00 0.00 176.83 177.19 8xia h VAL 40 N 0.90 0.90 -0.23 2.27 2.07 -1.19 0.30 116.25 121.26 8xia h VAL 40 Ca 0.21 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 8xia h VAL 40 Cb 0.21 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 8xia h VAL 40 CO -0.02 0.02 0.13 1.56 0.02 0.00 0.00 177.57 179.29 8xia h GLN 41 N 0.13 0.32 -0.56 1.57 4.20 -1.25 -1.42 115.11 118.09 8xia h GLN 41 Ca 0.10 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 8xia h GLN 41 Cb 0.10 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 8xia h GLN 41 CO -0.13 0.27 -0.03 0.00 -0.67 0.00 0.00 178.83 178.27 8xia h ARG 42 N 0.27 1.02 -0.49 1.46 2.47 -0.91 -2.51 114.38 115.70 8xia h ARG 42 Ca 0.08 -0.34 -0.09 0.00 -1.26 0.00 0.00 59.98 58.37 8xia h ARG 42 Cb 0.04 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 8xia h ARG 42 CO -0.01 1.03 -0.05 -0.07 0.56 0.00 0.00 179.97 181.43 8xia h LEU 43 N 0.90 0.82 -0.78 3.04 3.38 -0.86 -2.65 115.31 119.16 8xia h LEU 43 Ca 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 8xia h LEU 43 Cb 0.59 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 8xia h LEU 43 CO 0.04 0.91 0.46 0.00 0.09 0.00 0.00 178.44 179.94 8xia h ALA 44 N 1.17 1.00 0.00 1.53 0.00 -1.07 -1.82 119.26 120.08 8xia h ALA 44 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 8xia h ALA 44 Cb 0.53 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 8xia h ALA 44 CO 0.03 0.48 -0.14 0.93 0.00 0.00 0.00 179.25 180.55 8xia h GLU 45 N 1.08 0.00 -0.00 0.00 5.08 -1.21 -2.31 114.58 117.21 8xia h GLU 45 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 8xia h GLU 45 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 8xia h GLU 45 CO -0.05 0.14 -0.25 1.28 -1.00 0.00 0.00 179.01 179.13 8xia n LEU 46 N -4.24 0.29 0.00 1.33 4.77 -0.74 -4.92 117.00 113.49 8xia n LEU 46 Ca -0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 8xia n LEU 46 Cb 0.21 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 8xia n LEU 46 CO 0.35 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 8xia n GLY 47 N 1.48 1.12 3.80 -0.72 0.00 -0.87 -4.69 105.19 105.31 8xia n GLY 47 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 8xia n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8xia s ALA 48 N -2.00 2.51 -0.13 4.61 0.00 -0.86 -3.43 121.76 122.46 8xia s ALA 48 Ca 0.00 0.10 0.19 0.00 0.00 0.00 0.00 51.96 52.24 8xia s ALA 48 Cb 0.00 -3.19 -0.23 0.00 0.00 0.00 0.00 23.12 19.69 8xia s ALA 48 CO 0.00 -1.43 0.45 1.58 0.00 0.00 0.00 175.76 176.36 8xia n HIS 49 N -3.27 0.34 -3.95 0.00 -0.00 0.16 -4.56 115.22 103.93 8xia n HIS 49 Ca 0.08 0.11 0.02 0.00 -0.00 0.00 0.00 57.72 57.93 8xia n HIS 49 Cb 0.54 -0.89 0.01 0.00 -0.00 0.00 0.00 29.99 29.65 8xia n HIS 49 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 8xia n GLY 50 N 1.49 0.37 3.27 1.57 0.00 -1.15 -2.32 105.19 108.43 8xia n GLY 50 Ca -0.17 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 8xia n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 8xia s VAL 51 N -2.07 0.81 0.25 1.61 -7.23 -0.53 -2.72 120.40 110.52 8xia s VAL 51 Ca 0.20 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.40 8xia s VAL 51 Cb -0.01 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 8xia s VAL 51 CO -0.00 -0.42 0.04 0.42 -0.31 0.00 0.00 175.10 174.83 8xia s THR 52 N -3.57 0.91 0.12 5.32 -4.23 -0.77 -4.00 115.64 109.42 8xia s THR 52 Ca 0.26 -2.01 -0.20 0.00 -1.18 0.00 0.00 61.69 58.55 8xia s THR 52 Cb 0.06 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.45 8xia s THR 52 CO 0.06 -0.18 0.51 0.72 -0.54 0.00 0.00 174.62 175.19 8xia s PHE 53 N -3.51 -0.39 0.11 3.99 -0.12 -1.25 -1.33 117.98 115.49 8xia s PHE 53 Ca 0.32 0.19 0.01 0.00 -0.05 0.00 0.00 56.93 57.41 8xia s PHE 53 Cb 0.07 0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 8xia s PHE 53 CO 0.11 -0.75 0.25 -1.01 -0.05 0.00 0.00 175.22 173.78 8xia s HIS 54 N -3.51 3.50 0.23 3.49 3.76 -1.26 -1.02 115.29 120.48 8xia s HIS 54 Ca 0.01 0.18 -0.07 0.00 -0.15 0.00 0.00 55.06 55.02 8xia s HIS 54 Cb 0.00 -1.71 0.40 0.00 1.11 0.00 0.00 32.58 32.39 8xia s HIS 54 CO -0.10 0.54 1.67 0.38 -0.85 0.00 0.00 174.74 176.39 8xia h ASP 55 N 2.53 -0.11 0.62 1.40 2.03 -1.76 -0.27 116.42 120.87 8xia h ASP 55 Ca -0.47 0.15 0.00 0.00 -0.73 0.00 0.00 57.03 55.98 8xia h ASP 55 Cb 1.18 0.23 0.00 0.00 -0.83 0.00 0.00 39.33 39.91 8xia h ASP 55 CO 0.72 -0.07 0.00 0.47 -1.03 0.00 0.00 179.24 179.32 8xia n ASP 56 N -5.21 0.47 0.10 4.15 8.00 -1.26 -1.40 116.55 121.40 8xia n ASP 56 Ca 0.12 0.62 -0.16 0.00 0.71 0.00 0.00 54.79 56.09 8xia n ASP 56 Cb 0.42 -0.72 -0.13 0.00 -0.02 0.00 0.00 41.12 40.67 8xia n ASP 56 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 8xia h ASP 57 N 0.00 0.45 0.10 -2.24 3.45 -1.44 -3.39 116.42 113.35 8xia h ASP 57 Ca 0.00 -0.47 -0.31 0.00 0.43 0.00 0.00 57.03 56.68 8xia h ASP 57 Cb 0.31 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.92 8xia h ASP 57 CO 0.00 1.35 -1.65 0.25 -1.57 0.00 0.00 179.24 177.63 8xia h LEU 58 N 0.09 0.32 -7.87 1.55 5.85 -1.41 -3.46 115.31 110.38 8xia h LEU 58 Ca -0.13 -0.82 -0.66 0.00 0.84 0.00 0.00 57.88 57.10 8xia h LEU 58 Cb 1.94 -0.10 -0.37 0.00 0.37 0.00 0.00 40.66 42.50 8xia h LEU 58 CO 0.20 1.70 -0.81 -0.63 -0.34 0.00 0.00 178.44 178.57 8xia s ILE 59 N -2.49 2.06 0.22 4.05 1.01 -0.50 -4.87 121.20 120.69 8xia s ILE 59 Ca -0.23 -1.47 -0.32 0.00 0.00 0.00 0.00 60.65 58.64 8xia s ILE 59 Cb 0.06 -2.14 -0.14 0.00 0.01 0.00 0.00 42.46 40.24 8xia s ILE 59 CO 0.73 0.05 1.29 -2.65 0.00 0.00 0.00 174.94 174.36 8xia n PRO 60 N 4.49 1.65 -1.58 2.79 -0.02 -1.26 -4.20 135.00 136.88 8xia n PRO 60 Ca -0.15 0.59 -0.50 0.00 -2.02 0.00 0.00 63.50 61.42 8xia n PRO 60 Cb 0.44 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 8xia n PRO 60 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 8xia n PHE 61 N 1.63 1.36 -0.34 6.00 7.35 -1.26 -2.14 117.46 130.05 8xia n PHE 61 Ca 0.13 0.67 0.00 0.00 -0.76 0.00 0.00 57.45 57.49 8xia n PHE 61 Cb 0.29 -2.29 0.00 0.00 0.35 0.00 0.00 39.48 37.82 8xia n PHE 61 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 8xia n GLY 62 N 2.21 1.09 3.71 7.13 0.00 -1.26 -5.04 105.19 113.04 8xia n GLY 62 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 8xia n GLY 62 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 8xia n SER 63 N 0.00 2.99 -4.87 1.61 7.64 -0.91 -5.00 113.62 115.08 8xia n SER 63 Ca 0.00 1.21 -0.30 0.00 1.01 0.00 0.00 58.87 60.79 8xia n SER 63 Cb 0.00 -1.51 0.06 0.00 -1.01 0.00 0.00 64.21 61.75 8xia n SER 63 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 8xia s SER 64 N -0.25 5.07 0.58 6.43 1.04 -1.26 -4.79 113.70 120.52 8xia s SER 64 Ca 0.55 1.11 0.28 0.00 0.48 0.00 0.00 55.95 58.38 8xia s SER 64 Cb -0.55 -1.85 1.51 0.00 0.10 0.00 0.00 66.02 65.23 8xia s SER 64 CO 0.62 -1.58 1.96 0.44 0.98 0.00 0.00 173.24 175.66 8xia h ASP 65 N -0.82 0.00 0.00 7.02 5.19 -1.99 -0.67 116.42 125.15 8xia h ASP 65 Ca -0.46 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.95 8xia h ASP 65 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 8xia h ASP 65 CO 0.63 0.00 -0.00 -1.28 -3.12 0.00 0.00 179.24 175.47 8xia h SER 66 N 0.00 -0.00 -0.17 6.45 0.87 -2.00 -2.56 113.55 116.13 8xia h SER 66 Ca 0.20 -0.61 -0.10 0.00 -1.23 0.00 0.00 61.79 60.05 8xia h SER 66 Cb 1.02 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 8xia h SER 66 CO -0.00 0.61 -0.22 -0.33 -0.53 0.00 0.00 176.83 176.36 8xia h GLU 67 N -0.61 0.61 0.31 2.24 5.08 -1.53 -2.86 114.58 117.83 8xia h GLU 67 Ca -0.00 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 8xia h GLU 67 Cb 0.61 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 8xia h GLU 67 CO 0.00 0.78 -0.51 -0.09 -1.00 0.00 0.00 179.01 178.20 8xia h ARG 68 N 0.54 -0.84 -0.82 2.33 1.12 -1.24 -0.59 114.38 114.87 8xia h ARG 68 Ca 0.08 0.06 0.13 0.00 -1.11 0.00 0.00 59.98 59.14 8xia h ARG 68 Cb 0.67 0.19 -0.06 0.00 -0.01 0.00 0.00 29.97 30.76 8xia h ARG 68 CO 0.05 -0.56 0.54 1.49 -3.11 0.00 0.00 179.97 178.37 8xia h GLU 69 N -0.88 0.62 -0.41 0.20 4.81 -1.40 -0.32 114.58 117.21 8xia h GLU 69 Ca -0.03 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 8xia h GLU 69 Cb 0.81 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 8xia h GLU 69 CO -0.17 0.41 -0.06 1.49 -0.73 0.00 0.00 179.01 179.94 8xia h GLU 70 N 0.64 0.77 -0.54 1.92 4.81 -1.17 0.27 114.58 121.28 8xia h GLU 70 Ca 0.40 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 8xia h GLU 70 Cb 0.65 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 8xia h GLU 70 CO -0.16 0.88 0.04 0.45 -0.73 0.00 0.00 179.01 179.49 8xia h HIS 71 N 0.59 0.99 0.06 0.92 3.86 0.31 -2.06 115.15 119.82 8xia h HIS 71 Ca 0.11 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 8xia h HIS 71 Cb 0.58 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.78 8xia h HIS 71 CO 0.05 0.90 -0.03 0.28 0.86 0.00 0.00 177.93 179.98 8xia h VAL 72 N 0.80 1.13 -0.47 2.45 2.07 -0.98 -2.57 116.25 118.67 8xia h VAL 72 Ca 0.16 -0.65 0.09 0.00 0.82 0.00 0.00 66.70 67.11 8xia h VAL 72 Cb 0.47 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 8xia h VAL 72 CO 0.02 0.16 0.04 0.50 0.02 0.00 0.00 177.57 178.31 8xia h LYS 73 N -0.37 0.15 -0.80 1.57 3.64 -0.87 -0.19 116.57 119.70 8xia h LYS 73 Ca -0.01 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 8xia h LYS 73 Cb 0.33 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 8xia h LYS 73 CO 0.01 0.10 0.52 0.00 -2.27 0.00 0.00 179.45 177.81 8xia h ARG 74 N 0.15 1.00 -0.23 1.90 3.08 -1.37 -1.43 114.38 117.49 8xia h ARG 74 Ca 0.24 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 8xia h ARG 74 Cb 0.34 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 8xia h ARG 74 CO -0.36 0.66 0.08 0.35 -1.07 0.00 0.00 179.97 179.63 8xia h PHE 75 N 1.03 0.35 -0.88 3.04 3.57 -0.92 -2.44 116.94 120.69 8xia h PHE 75 Ca 0.31 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.84 8xia h PHE 75 Cb -0.04 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.53 8xia h PHE 75 CO -0.02 0.40 0.55 -0.09 -2.23 0.00 0.00 178.31 176.92 8xia h ARG 76 N 0.21 0.99 -0.51 1.11 9.65 -0.84 -0.68 114.38 124.31 8xia h ARG 76 Ca 0.08 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.79 8xia h ARG 76 Cb 0.20 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 8xia h ARG 76 CO -0.00 0.66 -0.09 0.37 2.80 0.00 0.00 179.97 183.70 8xia h GLN 77 N 1.02 0.93 -0.33 0.20 5.75 -1.11 -1.35 115.11 120.22 8xia h GLN 77 Ca 0.38 -0.32 -0.09 0.00 -0.15 0.00 0.00 58.65 58.47 8xia h GLN 77 Cb 0.14 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 8xia h GLN 77 CO -0.16 0.98 -0.16 0.00 -2.65 0.00 0.00 178.83 176.84 8xia h ALA 78 N 1.05 1.11 -0.50 3.38 0.00 -0.70 -1.08 119.26 122.52 8xia h ALA 78 Ca 0.14 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 8xia h ALA 78 Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 8xia h ALA 78 CO 0.04 0.55 -0.16 -0.07 0.00 0.00 0.00 179.25 179.61 8xia h LEU 79 N 0.53 0.98 -0.84 0.00 3.38 -0.91 -2.50 115.31 115.95 8xia h LEU 79 Ca 0.09 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 8xia h LEU 79 Cb 0.58 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 8xia h LEU 79 CO 0.04 1.12 -0.12 0.44 0.09 0.00 0.00 178.44 180.01 8xia h ASP 80 N 0.86 0.73 0.54 -0.43 3.45 -0.87 0.10 116.42 120.79 8xia h ASP 80 Ca 0.12 -0.22 -0.11 0.00 0.43 0.00 0.00 57.03 57.26 8xia h ASP 80 Cb 0.72 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.28 8xia h ASP 80 CO 0.06 0.87 -0.52 0.44 -1.57 0.00 0.00 179.24 178.51 8xia h ASP 81 N 0.67 0.00 0.00 6.45 3.32 -1.03 -3.32 116.42 122.51 8xia h ASP 81 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 8xia h ASP 81 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 8xia h ASP 81 CO 0.04 0.52 -0.94 0.35 -1.72 0.00 0.00 179.24 177.49 8xia n THR 82 N -3.89 0.00 -0.98 0.35 -2.24 -0.96 -5.01 114.28 101.55 8xia n THR 82 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 8xia n THR 82 Cb 0.54 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 8xia n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 8xia n GLY 83 N 1.52 0.45 3.79 3.38 0.00 0.34 -5.03 105.19 109.65 8xia n GLY 83 Ca 0.00 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 8xia n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 8xia s MET 84 N -0.91 4.40 0.47 1.61 -1.94 -1.15 -4.99 119.30 116.79 8xia s MET 84 Ca 0.00 1.31 0.07 0.00 -1.71 0.00 0.00 55.69 55.35 8xia s MET 84 Cb 0.00 -2.57 -0.00 0.00 2.01 0.00 0.00 34.83 34.27 8xia s MET 84 CO 0.00 0.10 0.35 0.15 -0.01 0.00 0.00 175.02 175.61 8xia s LYS 85 N -2.47 2.35 -0.46 2.03 -0.14 -0.98 -4.78 119.74 115.30 8xia s LYS 85 Ca 0.55 -1.79 0.03 0.00 -1.36 0.00 0.00 55.97 53.40 8xia s LYS 85 Cb -0.17 -2.18 0.14 0.00 -1.68 0.00 0.00 37.83 33.94 8xia s LYS 85 CO 0.21 -0.34 0.27 0.08 -0.76 0.00 0.00 175.35 174.81 8xia s VAL 86 N -2.62 1.44 -0.47 3.17 1.01 -1.26 -1.46 120.40 120.21 8xia s VAL 86 Ca 0.41 -2.72 0.24 0.00 0.00 0.00 0.00 61.98 59.91 8xia s VAL 86 Cb -0.01 -2.00 0.33 0.00 0.00 0.00 0.00 36.38 34.70 8xia s VAL 86 CO 0.24 -0.94 1.66 1.55 0.00 0.00 0.00 175.10 177.61 8xia h PRO 87 N 6.50 0.00 -3.46 2.72 0.14 -1.85 -2.91 132.00 133.14 8xia h PRO 87 Ca 0.03 0.00 -0.13 0.00 0.14 0.00 0.00 66.00 66.04 8xia h PRO 87 Cb 0.91 0.00 -0.20 0.00 0.14 0.00 0.00 31.00 31.85 8xia h PRO 87 CO 0.49 0.00 -0.44 1.41 0.14 0.00 0.00 178.00 179.60 8xia s MET 88 N -3.21 0.55 0.12 0.86 0.00 -1.26 -1.40 119.30 114.96 8xia s MET 88 Ca 0.07 -0.42 -0.04 0.00 0.00 0.00 0.00 55.69 55.30 8xia s MET 88 Cb 0.07 0.23 -0.03 0.00 0.00 0.00 0.00 34.83 35.10 8xia s MET 88 CO 0.65 -0.14 0.11 0.00 0.00 0.00 0.00 175.02 175.64 8xia s ALA 89 N -1.61 0.46 0.28 4.11 0.00 -0.95 -3.75 121.76 120.30 8xia s ALA 89 Ca -0.13 -1.18 -0.14 0.00 0.00 0.00 0.00 51.96 50.51 8xia s ALA 89 Cb -0.06 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.79 8xia s ALA 89 CO 0.01 -0.51 0.58 -0.08 0.00 0.00 0.00 175.76 175.76 8xia s THR 90 N -3.98 0.00 -0.01 0.00 -1.32 -0.19 -0.56 115.64 109.58 8xia s THR 90 Ca 0.17 -1.28 0.02 0.00 -1.21 0.00 0.00 61.69 59.40 8xia s THR 90 Cb 0.06 -2.29 -0.03 0.00 -1.51 0.00 0.00 72.50 68.72 8xia s THR 90 CO -0.02 0.00 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.46 8xia s THR 91 N -3.66 3.87 -0.52 5.08 2.01 -1.26 -2.08 115.64 119.08 8xia s THR 91 Ca 0.20 -0.67 -0.23 0.00 0.31 0.00 0.00 61.69 61.30 8xia s THR 91 Cb -0.03 -2.69 0.04 0.00 0.01 0.00 0.00 72.50 69.83 8xia s THR 91 CO 0.10 0.40 0.83 0.21 -0.69 0.00 0.00 174.62 175.47 8xia s ASN 92 N -1.42 6.31 -0.28 3.53 3.84 -1.26 -4.85 114.94 120.81 8xia s ASN 92 Ca 0.18 -0.49 0.08 0.00 0.21 0.00 0.00 52.86 52.84 8xia s ASN 92 Cb -0.11 -2.39 0.46 0.00 -0.55 0.00 0.00 41.25 38.66 8xia s ASN 92 CO 0.08 -1.09 1.19 0.18 -2.79 0.00 0.00 177.10 174.67 8xia n LEU 93 N 6.99 4.65 0.00 3.21 4.77 -1.26 -4.75 117.00 130.61 8xia n LEU 93 Ca -0.01 -4.64 0.00 0.00 -0.03 0.00 0.00 56.01 51.34 8xia n LEU 93 Cb 0.47 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 8xia n LEU 93 CO 0.60 2.02 0.00 2.22 -1.33 0.00 0.00 177.39 180.90 8xia n PHE 94 N -0.75 0.00 -0.05 -1.77 1.16 -1.26 -4.46 117.46 110.32 8xia n PHE 94 Ca 0.41 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.86 8xia n PHE 94 Cb 0.94 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.70 8xia n PHE 94 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 8xia h THR 95 N 0.00 1.55 -3.69 1.97 2.02 -1.95 -3.46 112.91 109.35 8xia h THR 95 Ca 0.00 -1.96 -0.53 0.00 0.77 0.00 0.00 66.41 64.68 8xia h THR 95 Cb 0.00 2.84 0.09 0.00 -1.74 0.00 0.00 68.15 69.34 8xia h THR 95 CO 0.00 0.49 0.80 -2.28 0.37 0.00 0.00 175.52 174.90 8xia s HIS 96 N -2.64 2.71 0.57 3.16 2.46 -1.26 -4.89 115.29 115.40 8xia s HIS 96 Ca -0.17 1.05 0.31 0.00 0.47 0.00 0.00 55.06 56.72 8xia s HIS 96 Cb -0.02 -4.00 1.44 0.00 -0.13 0.00 0.00 32.58 29.88 8xia s HIS 96 CO 0.63 -3.08 1.82 -1.35 -2.47 0.00 0.00 174.74 170.29 8xia h PRO 97 N 3.79 0.00 -0.11 2.88 0.11 -2.03 0.87 132.00 137.52 8xia h PRO 97 Ca -0.49 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.65 8xia h PRO 97 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 8xia h PRO 97 CO 0.70 0.00 0.09 -0.24 -0.21 0.00 0.00 178.00 178.34 8xia h VAL 98 N 0.00 0.78 -0.33 3.15 3.04 -1.96 -0.24 116.25 120.68 8xia h VAL 98 Ca 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.05 8xia h VAL 98 Cb 1.69 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 8xia h VAL 98 CO -0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.05 8xia n PHE 99 N -4.25 0.55 0.02 3.17 0.99 0.30 -4.54 117.46 113.70 8xia n PHE 99 Ca -0.00 -0.25 0.22 0.00 -0.00 0.00 0.00 57.45 57.41 8xia n PHE 99 Cb 0.20 -0.05 0.73 0.00 -1.00 0.00 0.00 39.48 39.36 8xia n PHE 99 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.76 178.33 8xia h LYS 100 N 1.99 0.00 -0.32 -1.08 2.10 -1.17 0.35 116.57 118.44 8xia h LYS 100 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 8xia h LYS 100 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 8xia h LYS 100 CO 0.04 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.02 8xia n ASP 101 N -3.96 3.24 0.00 7.07 4.64 -1.26 -5.03 116.55 121.24 8xia n ASP 101 Ca 0.10 -2.32 0.00 0.00 -1.38 0.00 0.00 54.79 51.19 8xia n ASP 101 Cb 0.67 -0.33 0.00 0.00 -1.04 0.00 0.00 41.12 40.42 8xia n ASP 101 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 8xia n GLY 102 N 0.20 -0.19 0.01 0.27 0.00 0.11 -3.77 105.19 101.83 8xia n GLY 102 Ca 0.15 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.88 8xia n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 8xia n GLY 103 N -0.77 -0.06 0.24 -0.02 0.00 -1.26 -4.32 105.19 98.98 8xia n GLY 103 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 8xia n GLY 103 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 8xia h PHE 104 N 0.00 0.00 -0.10 1.61 0.04 -1.90 -3.13 116.94 113.47 8xia h PHE 104 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 8xia h PHE 104 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 8xia h PHE 104 CO 0.00 0.20 -0.02 0.25 -0.60 0.00 0.00 178.31 178.14 8xia n THR 105 N -3.57 2.06 -1.80 -1.55 -2.24 -1.26 -4.48 114.28 101.43 8xia n THR 105 Ca -0.01 -2.20 -0.37 0.00 -2.27 0.00 0.00 64.05 59.20 8xia n THR 105 Cb 0.35 -0.25 0.05 0.00 -2.10 0.00 0.00 70.33 68.38 8xia n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 8xia s ALA 106 N -2.89 2.52 0.24 6.98 0.00 -1.18 -4.84 121.76 122.59 8xia s ALA 106 Ca 0.36 1.21 -0.04 0.00 0.00 0.00 0.00 51.96 53.49 8xia s ALA 106 Cb 0.31 -3.54 0.25 0.00 0.00 0.00 0.00 23.12 20.14 8xia s ALA 106 CO 0.04 -1.46 1.71 -0.91 0.00 0.00 0.00 175.76 175.15 8xia h ASN 107 N 0.84 0.83 -2.78 0.00 2.35 -1.93 -3.42 115.58 111.47 8xia h ASN 107 Ca -0.51 -0.22 -0.56 0.00 -0.55 0.00 0.00 56.30 54.46 8xia h ASN 107 Cb 1.32 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.45 8xia h ASN 107 CO 0.55 0.91 0.97 -1.81 -1.65 0.00 0.00 177.43 176.40 8xia s ASP 108 N -6.64 6.82 0.30 5.81 -0.00 -1.26 -4.92 116.67 116.77 8xia s ASP 108 Ca -0.10 1.97 -0.02 0.00 -0.00 0.00 0.00 52.55 54.40 8xia s ASP 108 Cb 0.14 -2.54 0.45 0.00 -0.00 0.00 0.00 42.92 40.97 8xia s ASP 108 CO 0.83 -0.83 1.93 -0.09 -0.00 0.00 0.00 175.17 177.01 8xia h ARG 109 N 8.73 1.00 -0.96 8.23 2.43 -2.00 -2.57 114.38 129.23 8xia h ARG 109 Ca -0.33 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 58.78 8xia h ARG 109 Cb 1.14 -0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.43 8xia h ARG 109 CO 0.96 0.72 0.63 0.38 -1.51 0.00 0.00 179.97 181.14 8xia h ASP 110 N 1.02 1.05 -0.41 -3.80 -0.00 -1.96 -1.84 116.42 110.48 8xia h ASP 110 Ca 0.26 -0.01 -0.14 0.00 -0.00 0.00 0.00 57.03 57.14 8xia h ASP 110 Cb -0.02 -0.24 -0.01 0.00 -0.00 0.00 0.00 39.33 39.06 8xia h ASP 110 CO -0.05 0.72 -0.29 0.58 -0.00 0.00 0.00 179.24 180.20 8xia h VAL 111 N 1.21 1.27 -0.69 4.15 2.07 -1.84 -2.14 116.25 120.29 8xia h VAL 111 Ca 0.38 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 8xia h VAL 111 Cb 0.01 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 8xia h VAL 111 CO -0.12 0.49 0.40 0.03 0.02 0.00 0.00 177.57 178.39 8xia h ARG 112 N 0.79 0.95 -0.47 1.57 3.08 -1.21 0.16 114.38 119.25 8xia h ARG 112 Ca 0.09 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 8xia h ARG 112 Cb 0.87 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 8xia h ARG 112 CO 0.08 0.69 0.08 0.00 -1.07 0.00 0.00 179.97 179.76 8xia h ARG 113 N 0.94 0.77 -0.60 0.04 3.08 -1.23 -2.51 114.38 114.87 8xia h ARG 113 Ca 0.25 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 60.12 8xia h ARG 113 Cb 0.01 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 8xia h ARG 113 CO -0.04 0.78 0.37 -0.92 -1.07 0.00 0.00 179.97 179.09 8xia h TYR 114 N 0.64 0.70 -0.87 3.04 3.20 -1.04 -2.09 116.97 120.56 8xia h TYR 114 Ca 0.14 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.09 8xia h TYR 114 Cb 0.37 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.36 8xia h TYR 114 CO 0.03 0.41 0.55 0.00 -1.64 0.00 0.00 178.16 177.50 8xia h ALA 115 N 1.26 1.18 -0.51 1.82 0.00 -0.42 -0.77 119.26 121.82 8xia h ALA 115 Ca 0.24 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 8xia h ALA 115 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 8xia h ALA 115 CO -0.09 0.32 -0.11 -0.07 0.00 0.00 0.00 179.25 179.30 8xia h LEU 116 N 1.01 0.98 -0.66 0.00 3.38 -1.06 -2.22 115.31 116.73 8xia h LEU 116 Ca 0.37 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 8xia h LEU 116 Cb 0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 8xia h LEU 116 CO -0.16 1.11 0.22 0.03 0.09 0.00 0.00 178.44 179.72 8xia h ARG 117 N 0.84 1.02 -0.53 1.13 2.47 -0.93 -0.12 114.38 118.26 8xia h ARG 117 Ca 0.13 -0.22 -0.09 0.00 -1.26 0.00 0.00 59.98 58.54 8xia h ARG 117 Cb 0.67 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 8xia h ARG 117 CO 0.05 0.89 -0.03 -0.22 0.56 0.00 0.00 179.97 181.21 8xia h LYS 118 N 0.96 0.94 -0.03 0.04 3.64 -1.07 -2.31 116.57 118.73 8xia h LYS 118 Ca 0.21 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 8xia h LYS 118 Cb 0.28 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 8xia h LYS 118 CO -0.01 0.95 0.00 1.15 -2.27 0.00 0.00 179.45 179.27 8xia h THR 119 N 0.86 1.23 -0.99 1.00 2.02 -1.15 -3.05 112.91 112.83 8xia h THR 119 Ca 0.15 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.66 8xia h THR 119 Cb 0.55 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.55 8xia h THR 119 CO 0.03 0.18 0.65 0.40 0.37 0.00 0.00 175.52 177.16 8xia h ILE 120 N -0.22 1.24 -1.01 3.11 2.04 -0.90 -0.96 117.51 120.81 8xia h ILE 120 Ca 0.01 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.46 8xia h ILE 120 Cb 0.29 -0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.11 8xia h ILE 120 CO 0.00 0.24 0.66 -0.09 0.00 0.00 0.00 178.15 178.96 8xia h ARG 121 N 1.33 1.22 -0.01 2.37 2.43 -1.43 -2.59 114.38 117.70 8xia h ARG 121 Ca 0.37 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.28 8xia h ARG 121 Cb -0.14 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.13 8xia h ARG 121 CO -0.08 0.81 -0.82 -0.97 -1.51 0.00 0.00 179.97 177.39 8xia h ASN 122 N 1.26 0.26 -0.61 -3.80 -1.24 -1.22 -2.97 115.58 107.26 8xia h ASN 122 Ca 0.41 -0.20 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 8xia h ASN 122 Cb 0.03 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 38.97 8xia h ASN 122 CO -0.13 0.97 0.32 0.40 -1.29 0.00 0.00 177.43 177.70 8xia h ILE 123 N 0.12 1.20 -0.43 2.57 2.04 -0.83 0.15 117.51 122.33 8xia h ILE 123 Ca -0.04 -0.52 0.05 0.00 1.00 0.00 0.00 64.86 65.36 8xia h ILE 123 Cb 1.43 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 8xia h ILE 123 CO 0.13 0.22 0.16 0.44 0.00 0.00 0.00 178.15 179.09 8xia h ASP 124 N 0.83 0.17 -0.41 1.72 3.32 -1.48 -1.05 116.42 119.52 8xia h ASP 124 Ca 0.21 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 8xia h ASP 124 Cb 0.06 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 8xia h ASP 124 CO -0.03 0.13 0.15 0.25 -1.72 0.00 0.00 179.24 178.02 8xia h LEU 125 N 0.33 0.57 -0.45 1.55 5.85 -1.26 -1.99 115.31 119.92 8xia h LEU 125 Ca 0.20 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.79 8xia h LEU 125 Cb 0.19 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 8xia h LEU 125 CO -0.20 0.59 0.18 0.00 -0.34 0.00 0.00 178.44 178.68 8xia h ALA 126 N 1.00 0.55 -0.58 1.25 0.00 -0.21 -1.58 119.26 119.70 8xia h ALA 126 Ca 0.13 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 8xia h ALA 126 Cb 0.21 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 8xia h ALA 126 CO -0.01 -0.20 0.35 0.28 0.00 0.00 0.00 179.25 179.68 8xia h VAL 127 N 0.37 1.17 -0.86 0.00 2.07 -1.06 0.30 116.25 118.24 8xia h VAL 127 Ca 0.21 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.41 8xia h VAL 127 Cb 0.17 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 8xia h VAL 127 CO -0.19 0.17 0.54 -0.08 0.02 0.00 0.00 177.57 178.03 8xia h GLU 128 N 0.78 0.96 -0.04 1.57 4.81 -0.78 -1.61 114.58 120.27 8xia h GLU 128 Ca 0.21 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 8xia h GLU 128 Cb -0.02 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.14 8xia h GLU 128 CO -0.04 0.64 0.00 1.28 -0.73 0.00 0.00 179.01 180.16 8xia n LEU 129 N -4.61 0.69 0.00 1.64 4.77 -0.65 -4.92 117.00 113.92 8xia n LEU 129 Ca 0.12 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 8xia n LEU 129 Cb 0.17 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 8xia n LEU 129 CO 0.31 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 8xia n GLY 130 N 1.01 0.57 3.77 -0.72 0.00 -0.61 -4.45 105.19 104.76 8xia n GLY 130 Ca 0.18 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 8xia n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8xia s ALA 131 N -2.00 3.13 -0.04 4.61 0.00 0.04 -4.73 121.76 122.76 8xia s ALA 131 Ca 0.00 1.09 0.20 0.00 0.00 0.00 0.00 51.96 53.25 8xia s ALA 131 Cb 0.00 -3.43 -0.31 0.00 0.00 0.00 0.00 23.12 19.37 8xia s ALA 131 CO 0.00 -0.73 0.42 0.39 0.00 0.00 0.00 175.76 175.84 8xia n GLU 132 N -0.11 0.64 -4.76 0.00 4.71 -0.49 -4.62 120.64 116.01 8xia n GLU 132 Ca 0.05 -0.18 -0.24 0.00 -0.01 0.00 0.00 57.16 56.79 8xia n GLU 132 Cb 0.46 -1.49 -0.15 0.00 -1.01 0.00 0.00 31.44 29.24 8xia n GLU 132 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 8xia s THR 133 N -3.36 1.29 -0.19 2.62 2.01 -1.02 -1.99 115.64 114.99 8xia s THR 133 Ca -0.08 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.22 8xia s THR 133 Cb 0.13 -1.08 0.03 0.00 0.01 0.00 0.00 72.50 71.59 8xia s THR 133 CO 0.85 0.35 -0.16 -0.47 -0.69 0.00 0.00 174.62 174.50 8xia s TYR 134 N -0.41 2.73 0.28 4.92 5.04 0.26 -2.25 117.35 127.93 8xia s TYR 134 Ca 0.06 -1.71 -0.05 0.00 -2.44 0.00 0.00 57.07 52.93 8xia s TYR 134 Cb -0.06 -1.83 -0.05 0.00 0.35 0.00 0.00 41.96 40.36 8xia s TYR 134 CO -0.01 -0.79 0.55 0.08 -1.34 0.00 0.00 175.55 174.04 8xia s VAL 135 N 1.30 5.02 -0.18 3.14 1.01 0.27 -0.99 120.40 129.97 8xia s VAL 135 Ca 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 8xia s VAL 135 Cb -0.15 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.57 8xia s VAL 135 CO -0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 175.10 174.70 8xia s ALA 136 N -2.05 1.22 -0.32 5.51 0.00 -0.14 -4.27 121.76 121.71 8xia s ALA 136 Ca 0.44 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 8xia s ALA 136 Cb -0.11 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 21.91 8xia s ALA 136 CO 0.29 -0.99 0.06 -0.46 0.00 0.00 0.00 175.76 174.66 8xia s TRP 137 N 1.75 3.28 -1.29 0.00 -0.00 -1.26 -0.99 118.94 120.42 8xia s TRP 137 Ca -0.00 -1.68 -0.11 0.00 -0.00 0.00 0.00 56.10 54.30 8xia s TRP 137 Cb -0.16 -2.25 0.15 0.00 -0.00 0.00 0.00 33.47 31.21 8xia s TRP 137 CO -0.07 -0.78 1.84 0.41 -0.00 0.00 0.00 176.95 178.35 8xia n GLY 138 N 4.71 4.42 0.25 5.86 0.00 -1.26 -4.78 105.19 114.40 8xia n GLY 138 Ca -0.12 -2.00 0.10 0.00 0.00 0.00 0.00 46.02 44.00 8xia n GLY 138 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 8xia h GLY 139 N 8.59 0.00 -1.96 -0.02 0.00 -1.93 -2.55 103.07 105.20 8xia h GLY 139 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 8xia h GLY 139 CO 1.59 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.67 8xia n ARG 140 N -3.95 2.34 -2.86 4.80 5.12 -1.26 -4.01 116.66 116.83 8xia n ARG 140 Ca -0.02 -2.00 -0.43 0.00 -1.93 0.00 0.00 57.85 53.47 8xia n ARG 140 Cb 0.22 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 29.99 8xia n ARG 140 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 8xia s GLU 141 N -1.68 3.61 0.00 5.56 0.41 -0.96 -3.03 118.70 122.61 8xia s GLU 141 Ca 0.35 0.23 0.00 0.00 -0.41 0.00 0.00 54.97 55.14 8xia s GLU 141 Cb 0.21 -3.88 0.00 0.00 -1.78 0.00 0.00 34.13 28.68 8xia s GLU 141 CO 0.31 -1.09 0.00 0.41 -0.49 0.00 0.00 175.26 174.39 8xia n GLY 142 N 4.77 -0.32 3.69 -1.39 0.00 -1.26 -1.42 105.19 109.26 8xia n GLY 142 Ca 0.05 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 45.13 8xia n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8xia s ALA 143 N -1.00 -1.81 -0.28 4.61 0.00 -0.77 -4.91 121.76 117.60 8xia s ALA 143 Ca 0.00 0.41 0.12 0.00 0.00 0.00 0.00 51.96 52.49 8xia s ALA 143 Cb 0.00 0.53 -0.16 0.00 0.00 0.00 0.00 23.12 23.48 8xia s ALA 143 CO 0.00 -0.99 0.39 0.39 0.00 0.00 0.00 175.76 175.55 8xia n GLU 144 N -0.43 1.61 -4.09 0.00 4.71 -1.26 -1.77 120.64 119.42 8xia n GLU 144 Ca -0.07 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.16 56.92 8xia n GLU 144 Cb 0.61 -1.19 -0.11 0.00 -1.01 0.00 0.00 31.44 29.75 8xia n GLU 144 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 8xia s SER 145 N -2.83 0.74 0.23 1.62 1.04 -1.26 -4.94 113.70 108.30 8xia s SER 145 Ca -0.00 -0.78 -0.08 0.00 0.48 0.00 0.00 55.95 55.56 8xia s SER 145 Cb 0.09 0.10 0.21 0.00 0.10 0.00 0.00 66.02 66.52 8xia s SER 145 CO 0.51 -0.39 1.90 1.23 0.98 0.00 0.00 173.24 177.47 8xia h GLY 146 N 3.75 1.26 1.85 7.32 0.00 -1.95 -3.22 103.07 112.07 8xia h GLY 146 Ca -0.34 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.50 8xia h GLY 146 CO 0.54 0.47 -0.11 0.61 0.00 0.00 0.00 176.54 178.05 8xia n GLY 147 N -1.32 -1.64 0.24 4.60 0.00 -1.26 -3.95 105.19 101.86 8xia n GLY 147 Ca 0.10 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.17 8xia n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8xia h ALA 148 N 2.55 1.07 -3.27 4.61 0.00 -1.99 -3.43 119.26 118.80 8xia h ALA 148 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 54.91 54.46 8xia h ALA 148 Cb 0.72 -0.03 -0.35 0.00 0.00 0.00 0.00 17.79 18.14 8xia h ALA 148 CO 0.00 0.21 -0.67 0.21 0.00 0.00 0.00 179.25 179.00 8xia s LYS 149 N -3.79 0.01 -0.31 0.00 2.47 -1.25 -5.00 119.74 111.87 8xia s LYS 149 Ca -0.00 0.39 -0.23 0.00 -1.56 0.00 0.00 55.97 54.57 8xia s LYS 149 Cb 0.11 -0.29 -0.00 0.00 -1.46 0.00 0.00 37.83 36.19 8xia s LYS 149 CO 0.61 -0.24 0.75 0.34 0.16 0.00 0.00 175.35 176.96 8xia s ASP 150 N 1.69 6.61 0.28 1.43 2.15 -1.26 -4.95 116.67 122.62 8xia s ASP 150 Ca -0.03 0.58 0.01 0.00 0.43 0.00 0.00 52.55 53.54 8xia s ASP 150 Cb -0.12 -2.39 0.41 0.00 -0.30 0.00 0.00 42.92 40.52 8xia s ASP 150 CO -0.05 -0.60 1.75 0.58 -0.17 0.00 0.00 175.17 176.69 8xia h VAL 151 N 5.60 1.25 -0.35 1.11 2.07 -1.98 -0.63 116.25 123.32 8xia h VAL 151 Ca -0.25 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 8xia h VAL 151 Cb 1.10 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 8xia h VAL 151 CO 0.87 0.37 0.19 0.03 0.02 0.00 0.00 177.57 179.05 8xia h ARG 152 N 0.53 0.49 -0.77 1.57 3.08 -1.99 0.17 114.38 117.46 8xia h ARG 152 Ca 0.09 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 8xia h ARG 152 Cb 0.57 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 8xia h ARG 152 CO 0.04 0.41 0.42 -0.44 -1.07 0.00 0.00 179.97 179.32 8xia h ASP 153 N 0.44 0.96 -0.68 7.04 3.45 -1.92 -1.64 116.42 124.07 8xia h ASP 153 Ca 0.12 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.47 8xia h ASP 153 Cb 0.07 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.56 8xia h ASP 153 CO -0.02 0.79 0.36 0.00 -1.57 0.00 0.00 179.24 178.80 8xia h ALA 154 N 1.22 0.87 -0.14 3.45 0.00 -0.60 -0.96 119.26 123.10 8xia h ALA 154 Ca 0.27 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 8xia h ALA 154 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 8xia h ALA 154 CO -0.04 0.39 -0.34 -0.07 0.00 0.00 0.00 179.25 179.19 8xia h LEU 155 N 0.93 0.29 -0.60 0.00 3.38 -0.29 0.89 115.31 119.90 8xia h LEU 155 Ca 0.24 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 8xia h LEU 155 Cb 0.06 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 8xia h LEU 155 CO -0.04 0.62 0.30 0.44 0.09 0.00 0.00 178.44 179.85 8xia h ASP 156 N 0.24 0.78 -0.01 -0.43 3.45 -0.81 0.31 116.42 119.95 8xia h ASP 156 Ca 0.03 -0.12 -0.10 0.00 0.43 0.00 0.00 57.03 57.27 8xia h ASP 156 Cb 0.72 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 8xia h ASP 156 CO 0.05 0.68 -0.29 0.03 -1.57 0.00 0.00 179.24 178.15 8xia h ARG 157 N 0.82 0.45 -0.22 3.56 2.47 -0.47 0.34 114.38 121.33 8xia h ARG 157 Ca 0.21 -0.18 -0.20 0.00 -1.26 0.00 0.00 59.98 58.55 8xia h ARG 157 Cb 0.09 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.40 8xia h ARG 157 CO -0.03 0.70 -0.63 1.98 0.56 0.00 0.00 179.97 182.55 8xia h MET 158 N 0.40 0.82 -0.30 0.04 4.05 -0.36 -2.35 114.93 117.24 8xia h MET 158 Ca 0.05 -0.59 -0.01 0.00 -0.28 0.00 0.00 59.70 58.88 8xia h MET 158 Cb 0.71 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 8xia h MET 158 CO 0.05 1.21 0.14 -0.22 0.23 0.00 0.00 176.91 178.32 8xia h LYS 159 N 0.58 0.43 -0.61 0.39 3.64 -0.17 -2.10 116.57 118.72 8xia h LYS 159 Ca -0.02 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.39 8xia h LYS 159 Cb 1.25 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 8xia h LYS 159 CO 0.14 0.42 0.23 1.49 -2.27 0.00 0.00 179.45 179.46 8xia h GLU 160 N 0.34 0.40 -0.10 1.90 4.81 -0.85 0.21 114.58 121.29 8xia h GLU 160 Ca 0.10 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 8xia h GLU 160 Cb 0.13 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 8xia h GLU 160 CO -0.01 0.27 0.03 0.00 -0.73 0.00 0.00 179.01 178.57 8xia h ALA 161 N 1.42 0.13 -0.29 2.92 0.00 -1.28 -1.33 119.26 120.82 8xia h ALA 161 Ca 0.31 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 8xia h ALA 161 Cb 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 8xia h ALA 161 CO -0.30 -0.27 -0.25 0.74 0.00 0.00 0.00 179.25 179.17 8xia h PHE 162 N -0.02 0.64 -0.62 0.00 -1.00 -0.96 -1.31 116.94 113.66 8xia h PHE 162 Ca 0.03 -0.14 -0.09 0.00 2.81 0.00 0.00 57.97 60.58 8xia h PHE 162 Cb 0.20 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 8xia h PHE 162 CO -0.01 0.76 0.03 -0.44 -1.61 0.00 0.00 178.31 177.04 8xia h ASP 163 N 0.50 1.05 -0.29 2.17 3.45 -0.46 -1.52 116.42 121.32 8xia h ASP 163 Ca 0.07 -0.29 -0.09 0.00 0.43 0.00 0.00 57.03 57.15 8xia h ASP 163 Cb 0.69 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.16 8xia h ASP 163 CO 0.05 1.09 -0.12 -0.07 -1.57 0.00 0.00 179.24 178.62 8xia h LEU 164 N 0.99 0.70 -0.93 1.55 3.38 -0.85 -0.96 115.31 119.19 8xia h LEU 164 Ca 0.18 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 8xia h LEU 164 Cb 0.53 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 8xia h LEU 164 CO 0.03 0.85 -0.34 -0.07 0.09 0.00 0.00 178.44 178.99 8xia h LEU 165 N 0.65 0.36 -0.52 1.67 3.38 -0.92 -1.26 115.31 118.67 8xia h LEU 165 Ca 0.11 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 8xia h LEU 165 Cb 0.58 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 8xia h LEU 165 CO 0.04 0.69 -0.45 1.23 0.09 0.00 0.00 178.44 180.03 8xia h GLY 166 N 1.11 0.75 0.96 0.83 0.00 -0.97 -1.51 103.07 104.24 8xia h GLY 166 Ca 0.04 -0.80 -0.07 0.00 0.00 0.00 0.00 47.33 46.50 8xia h GLY 166 CO 0.06 0.72 -0.01 -2.09 0.00 0.00 0.00 176.54 175.22 8xia h GLU 167 N 0.55 0.74 0.26 4.80 4.81 -0.80 -2.40 114.58 122.56 8xia h GLU 167 Ca 0.03 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 8xia h GLU 167 Cb 1.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.32 8xia h GLU 167 CO 0.09 0.83 -0.13 -0.92 -0.73 0.00 0.00 179.01 178.15 8xia h TYR 168 N 0.58 -0.33 -0.67 0.92 3.20 -1.04 0.04 116.97 119.67 8xia h TYR 168 Ca 0.12 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.01 8xia h TYR 168 Cb 0.50 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 8xia h TYR 168 CO 0.04 -0.18 0.41 0.28 -1.64 0.00 0.00 178.16 177.07 8xia h VAL 169 N -0.39 1.07 -0.40 1.81 2.07 -1.25 -1.38 116.25 117.78 8xia h VAL 169 Ca -0.04 -0.27 -0.15 0.00 0.82 0.00 0.00 66.70 67.06 8xia h VAL 169 Cb 0.29 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 8xia h VAL 169 CO 0.06 0.15 -0.33 0.71 0.02 0.00 0.00 177.57 178.18 8xia h THR 170 N 0.80 1.27 -0.69 2.57 1.35 -1.33 -1.23 112.91 115.64 8xia h THR 170 Ca 0.28 -1.49 -0.01 0.00 -0.55 0.00 0.00 66.41 64.63 8xia h THR 170 Cb 0.05 1.31 -0.03 0.00 -1.73 0.00 0.00 68.15 67.74 8xia h THR 170 CO -0.12 0.50 0.37 0.77 -0.25 0.00 0.00 175.52 176.79 8xia h SER 171 N 0.76 0.85 0.67 5.36 4.64 -0.50 -1.35 113.55 123.98 8xia h SER 171 Ca 0.08 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 8xia h SER 171 Cb 0.90 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 8xia h SER 171 CO 0.08 0.69 -0.22 0.00 -0.87 0.00 0.00 176.83 176.51 8xia n GLN 172 N -4.37 0.14 -2.06 4.77 1.13 -0.56 -4.94 117.38 111.49 8xia n GLN 172 Ca 0.07 -0.05 -0.11 0.00 -1.94 0.00 0.00 57.00 54.97 8xia n GLN 172 Cb 0.10 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.94 8xia n GLN 172 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 8xia n GLY 173 N 1.45 0.13 3.83 1.08 0.00 -0.51 -5.00 105.19 106.17 8xia n GLY 173 Ca 0.08 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 8xia n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 8xia s TYR 174 N -2.52 3.38 -1.03 1.61 4.12 -0.57 -5.00 117.35 117.34 8xia s TYR 174 Ca 0.00 1.48 -0.06 0.00 0.02 0.00 0.00 57.07 58.52 8xia s TYR 174 Cb 0.00 -2.74 0.26 0.00 -1.52 0.00 0.00 41.96 37.96 8xia s TYR 174 CO 0.00 0.00 1.02 -3.47 0.02 0.00 0.00 175.55 173.12 8xia n ASP 175 N -0.39 5.09 -3.80 2.29 2.03 -1.26 -4.80 116.55 115.71 8xia n ASP 175 Ca 0.05 -3.10 -0.13 0.00 0.52 0.00 0.00 54.79 52.14 8xia n ASP 175 Cb 0.53 -1.25 -0.12 0.00 -0.72 0.00 0.00 41.12 39.57 8xia n ASP 175 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 8xia s ILE 176 N -1.43 0.01 0.26 5.18 2.07 -1.26 -4.71 121.20 121.31 8xia s ILE 176 Ca 0.30 -0.05 0.11 0.00 -1.41 0.00 0.00 60.65 59.60 8xia s ILE 176 Cb -0.08 -0.34 -0.05 0.00 0.13 0.00 0.00 42.46 42.12 8xia s ILE 176 CO -0.09 -0.03 -0.20 -0.13 -1.91 0.00 0.00 174.94 172.59 8xia s ARG 177 N 0.00 1.61 0.04 3.50 0.52 -0.84 -5.00 118.95 118.78 8xia s ARG 177 Ca -0.01 -1.71 0.00 0.00 -0.52 0.00 0.00 55.73 53.49 8xia s ARG 177 Cb -0.02 -1.69 -0.04 0.00 0.52 0.00 0.00 34.95 33.72 8xia s ARG 177 CO 0.01 0.32 0.15 -0.06 0.02 0.00 0.00 175.30 175.73 8xia s PHE 178 N -2.45 3.41 -0.11 -0.53 0.40 0.31 -0.57 117.98 118.43 8xia s PHE 178 Ca 0.28 0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.82 8xia s PHE 178 Cb -0.05 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 41.77 8xia s PHE 178 CO 0.13 0.58 -0.03 0.00 0.70 0.00 0.00 175.22 176.60 8xia s ALA 179 N -1.38 1.08 0.01 5.36 0.00 -0.16 -0.85 121.76 125.82 8xia s ALA 179 Ca 0.30 -0.43 -0.21 0.00 0.00 0.00 0.00 51.96 51.62 8xia s ALA 179 Cb -0.13 -0.89 -0.06 0.00 0.00 0.00 0.00 23.12 22.05 8xia s ALA 179 CO 0.22 -0.53 0.62 0.42 0.00 0.00 0.00 175.76 176.48 8xia s ILE 180 N 1.81 4.86 -0.22 0.00 1.01 0.05 -0.96 121.20 127.75 8xia s ILE 180 Ca 0.04 1.30 -0.03 0.00 0.00 0.00 0.00 60.65 61.95 8xia s ILE 180 Cb -0.13 -3.95 -0.00 0.00 0.01 0.00 0.00 42.46 38.38 8xia s ILE 180 CO -0.07 0.43 -0.06 -0.70 0.00 0.00 0.00 174.94 174.55 8xia s GLU 181 N -0.31 3.32 0.47 2.79 2.12 -0.17 -0.60 118.70 126.32 8xia s GLU 181 Ca 0.32 -0.66 -0.12 0.00 0.36 0.00 0.00 54.97 54.87 8xia s GLU 181 Cb -0.19 -2.97 -0.06 0.00 0.26 0.00 0.00 34.13 31.17 8xia s GLU 181 CO 0.18 -0.21 0.86 -2.14 -0.54 0.00 0.00 175.26 173.41 8xia s PRO 182 N 1.46 3.78 -0.27 4.30 0.02 -1.26 -4.34 135.00 138.69 8xia s PRO 182 Ca 0.05 0.60 -0.18 0.00 0.02 0.00 0.00 61.00 61.50 8xia s PRO 182 Cb -0.14 -2.28 0.08 0.00 0.02 0.00 0.00 34.50 32.17 8xia s PRO 182 CO -0.04 -0.18 0.68 0.21 -0.33 0.00 0.00 177.00 177.34 8xia s LYS 183 N -4.15 0.72 0.20 5.54 2.20 -1.23 -4.70 119.74 118.32 8xia s LYS 183 Ca 0.53 1.13 0.08 0.00 -0.36 0.00 0.00 55.97 57.36 8xia s LYS 183 Cb -0.10 0.20 0.09 0.00 -1.51 0.00 0.00 37.83 36.51 8xia s LYS 183 CO 0.35 -0.14 1.45 -1.00 -0.36 0.00 0.00 175.35 175.66 8xia h PRO 184 N 6.48 0.03 -2.62 4.03 0.13 -1.71 -3.39 132.00 134.95 8xia h PRO 184 Ca -0.30 -0.03 0.13 0.00 -0.87 0.00 0.00 66.00 64.92 8xia h PRO 184 Cb 1.21 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 8xia h PRO 184 CO 0.14 0.81 0.39 0.54 -0.23 0.00 0.00 178.00 179.65 8xia s ASN 185 N -6.81 -0.18 0.01 1.44 4.22 -1.26 -1.57 114.94 110.79 8xia s ASN 185 Ca -0.01 -0.54 0.00 0.00 -2.14 0.00 0.00 52.86 50.17 8xia s ASN 185 Cb 0.11 0.59 0.00 0.00 1.28 0.00 0.00 41.25 43.24 8xia s ASN 185 CO 0.79 -1.11 0.00 1.21 -2.04 0.00 0.00 177.10 175.95 8xia n GLU 186 N -0.49 -1.60 0.13 3.55 2.13 -1.26 -4.84 120.64 118.26 8xia n GLU 186 Ca -0.05 1.51 0.13 0.00 0.66 0.00 0.00 57.16 59.41 8xia n GLU 186 Cb 0.60 -1.78 0.41 0.00 0.27 0.00 0.00 31.44 30.94 8xia n GLU 186 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 8xia h PRO 187 N 1.31 0.00 -6.81 5.31 0.13 -2.00 -3.50 132.00 126.45 8xia h PRO 187 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 8xia h PRO 187 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 8xia h PRO 187 CO 0.00 0.00 0.06 1.03 -0.23 0.00 0.00 178.00 178.86 8xia s ARG 188 N -3.19 3.65 0.24 0.86 1.81 -1.26 -4.99 118.95 116.08 8xia s ARG 188 Ca 0.08 0.26 -0.05 0.00 -1.72 0.00 0.00 55.73 54.31 8xia s ARG 188 Cb 0.11 -2.43 0.40 0.00 -0.45 0.00 0.00 34.95 32.58 8xia s ARG 188 CO 0.56 -0.06 1.78 0.78 -0.68 0.00 0.00 175.30 177.68 8xia h GLY 189 N 0.90 1.20 -5.79 -3.53 0.00 -1.89 -3.41 103.07 90.56 8xia h GLY 189 Ca -0.47 -0.25 -0.21 0.00 0.00 0.00 0.00 47.33 46.39 8xia h GLY 189 CO 0.63 0.05 -0.56 0.99 0.00 0.00 0.00 176.54 177.65 8xia s ASP 190 N -5.51 -0.14 0.01 0.19 1.11 -0.73 -4.69 116.67 106.92 8xia s ASP 190 Ca -0.12 0.31 0.01 0.00 0.18 0.00 0.00 52.55 52.93 8xia s ASP 190 Cb 0.19 0.26 -0.04 0.00 1.07 0.00 0.00 42.92 44.41 8xia s ASP 190 CO 0.77 -0.10 0.04 -0.63 1.18 0.00 0.00 175.17 176.44 8xia s ILE 191 N 0.58 4.44 0.43 0.77 1.01 -0.61 -1.85 121.20 125.98 8xia s ILE 191 Ca -0.04 -0.56 -0.23 0.00 0.00 0.00 0.00 60.65 59.82 8xia s ILE 191 Cb -0.06 -3.03 -0.08 0.00 0.01 0.00 0.00 42.46 39.30 8xia s ILE 191 CO -0.03 0.32 1.08 -0.76 0.00 0.00 0.00 174.94 175.55 8xia s LEU 192 N -1.78 4.05 -0.92 2.97 1.43 -0.50 -3.69 118.68 120.23 8xia s LEU 192 Ca 0.22 2.10 -0.05 0.00 -1.03 0.00 0.00 54.13 55.37 8xia s LEU 192 Cb -0.12 -4.27 -0.03 0.00 0.03 0.00 0.00 46.19 41.80 8xia s LEU 192 CO 0.14 -0.68 0.79 0.18 0.23 0.00 0.00 176.35 177.01 8xia n LEU 193 N -0.36 -5.44 0.27 1.79 4.77 -1.26 -4.81 117.00 111.95 8xia n LEU 193 Ca 0.06 -0.51 0.16 0.00 -0.03 0.00 0.00 56.01 55.69 8xia n LEU 193 Cb 0.50 -3.02 0.65 0.00 -2.33 0.00 0.00 43.42 39.22 8xia n LEU 193 CO 0.45 -0.33 0.96 1.55 -1.33 0.00 0.00 177.39 178.69 8xia h PRO 194 N -0.51 0.00 -4.81 3.23 0.13 -1.75 -3.32 132.00 124.97 8xia h PRO 194 Ca -0.37 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.40 8xia h PRO 194 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 8xia h PRO 194 CO 0.38 0.06 -0.58 0.95 -0.23 0.00 0.00 178.00 178.58 8xia s THR 195 N -3.71 0.27 0.24 1.56 -4.23 -1.26 -2.37 115.64 106.14 8xia s THR 195 Ca 0.01 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 8xia s THR 195 Cb 0.10 -2.54 0.21 0.00 1.34 0.00 0.00 72.50 71.61 8xia s THR 195 CO 0.56 0.00 1.80 0.58 -0.54 0.00 0.00 174.62 177.02 8xia h VAL 196 N 2.35 0.87 -0.22 2.29 2.07 -1.93 -2.00 116.25 119.68 8xia h VAL 196 Ca -0.35 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 66.94 8xia h VAL 196 Cb 1.25 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 8xia h VAL 196 CO 0.53 0.13 0.09 1.23 0.02 0.00 0.00 177.57 179.58 8xia h GLY 197 N 0.73 0.29 0.97 2.17 0.00 -1.96 0.53 103.07 105.79 8xia h GLY 197 Ca 0.40 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.67 8xia h GLY 197 CO -0.27 0.05 0.52 0.45 0.00 0.00 0.00 176.54 177.29 8xia h HIS 198 N 0.21 0.97 -0.35 5.60 -0.00 -1.79 -1.76 115.15 118.04 8xia h HIS 198 Ca 0.09 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.39 8xia h HIS 198 Cb 0.04 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 8xia h HIS 198 CO -0.11 0.60 -0.16 0.00 -0.00 0.00 0.00 177.93 178.26 8xia h ALA 199 N 1.30 0.49 -0.80 2.45 0.00 -1.14 -2.16 119.26 119.40 8xia h ALA 199 Ca 0.29 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 8xia h ALA 199 Cb -0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 8xia h ALA 199 CO -0.08 0.41 0.37 -0.07 0.00 0.00 0.00 179.25 179.89 8xia h LEU 200 N 0.51 1.05 -0.64 0.00 3.38 -0.49 -2.27 115.31 116.85 8xia h LEU 200 Ca 0.08 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 8xia h LEU 200 Cb 0.70 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 8xia h LEU 200 CO 0.05 0.89 0.13 0.00 0.09 0.00 0.00 178.44 179.61 8xia h ALA 201 N 1.26 0.84 -0.51 1.53 0.00 -1.25 -3.01 119.26 118.13 8xia h ALA 201 Ca 0.27 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 8xia h ALA 201 Cb 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 8xia h ALA 201 CO -0.03 0.58 0.16 0.35 0.00 0.00 0.00 179.25 180.31 8xia h PHE 202 N 0.95 0.81 -0.72 0.00 3.04 -1.11 -2.85 116.94 117.06 8xia h PHE 202 Ca 0.20 -0.08 0.11 0.00 3.98 0.00 0.00 57.97 62.18 8xia h PHE 202 Cb 0.39 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 38.62 8xia h PHE 202 CO 0.03 0.70 0.48 0.82 -2.02 0.00 0.00 178.31 178.31 8xia h ILE 203 N 0.69 0.90 0.00 1.41 2.04 -1.28 -1.53 117.51 119.73 8xia h ILE 203 Ca 0.16 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.83 8xia h ILE 203 Cb 0.26 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 8xia h ILE 203 CO -0.01 0.10 0.00 -0.62 0.00 0.00 0.00 178.15 177.63 8xia n GLU 204 N -4.49 0.14 -0.13 2.37 -0.58 -1.08 -1.72 120.64 115.15 8xia n GLU 204 Ca 0.12 0.50 0.11 0.00 -0.42 0.00 0.00 57.16 57.48 8xia n GLU 204 Cb 0.39 -1.85 0.17 0.00 -0.57 0.00 0.00 31.44 29.58 8xia n GLU 204 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 8xia n ARG 205 N -2.13 2.35 -2.26 3.49 5.12 -0.57 -4.97 116.66 117.69 8xia n ARG 205 Ca 0.01 -2.13 -0.31 0.00 -1.93 0.00 0.00 57.85 53.49 8xia n ARG 205 Cb 0.13 -1.47 -0.01 0.00 -1.16 0.00 0.00 32.46 29.95 8xia n ARG 205 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 8xia s LEU 206 N -1.54 3.48 0.24 0.55 1.43 -0.70 -4.98 118.68 117.16 8xia s LEU 206 Ca 0.34 1.35 -0.06 0.00 -1.03 0.00 0.00 54.13 54.73 8xia s LEU 206 Cb 0.21 -4.33 0.25 0.00 0.03 0.00 0.00 46.19 42.34 8xia s LEU 206 CO 0.29 -0.69 1.83 -0.33 0.23 0.00 0.00 176.35 177.69 8xia h GLU 207 N 0.31 1.15 -2.79 1.70 4.39 -1.93 -3.32 114.58 114.08 8xia h GLU 207 Ca -0.46 -0.17 -0.61 0.00 0.34 0.00 0.00 59.36 58.46 8xia h GLU 207 Cb 1.19 -0.20 -0.41 0.00 -0.10 0.00 0.00 28.75 29.23 8xia h GLU 207 CO 0.62 0.89 -0.72 0.54 -1.16 0.00 0.00 179.01 179.18 8xia n ARG 208 N -4.30 1.27 0.12 2.33 1.74 -1.26 -4.97 116.66 111.60 8xia n ARG 208 Ca 0.08 -4.02 0.19 0.00 -0.77 0.00 0.00 57.85 53.32 8xia n ARG 208 Cb 0.15 -2.06 0.77 0.00 -1.02 0.00 0.00 32.46 30.30 8xia n ARG 208 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 8xia h PRO 209 N 5.40 0.00 0.00 5.56 0.11 -1.80 -2.21 132.00 139.06 8xia h PRO 209 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 8xia h PRO 209 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 8xia h PRO 209 CO 0.60 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.44 8xia h GLU 210 N 0.00 0.00 -0.00 1.05 9.09 -1.93 -2.36 114.58 120.43 8xia h GLU 210 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.57 8xia h GLU 210 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.95 8xia h GLU 210 CO -0.00 0.00 -0.10 1.28 0.05 0.00 0.00 179.01 180.24 8xia n LEU 211 N -2.46 0.56 -4.13 3.06 4.77 -0.83 -4.88 117.00 113.09 8xia n LEU 211 Ca 0.01 -0.06 -0.23 0.00 -0.03 0.00 0.00 56.01 55.70 8xia n LEU 211 Cb 0.22 -0.15 -0.15 0.00 -2.33 0.00 0.00 43.42 41.01 8xia n LEU 211 CO 0.20 0.10 -0.48 -0.31 -1.33 0.00 0.00 177.39 175.57 8xia s TYR 212 N -2.39 1.36 0.00 -1.77 2.02 -0.89 -0.53 117.35 115.15 8xia s TYR 212 Ca 0.31 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 8xia s TYR 212 Cb 0.20 -0.88 0.00 0.00 -0.40 0.00 0.00 41.96 40.89 8xia s TYR 212 CO 0.46 -0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.82 8xia n GLY 213 N 2.71 4.86 3.47 0.71 0.00 -0.03 -4.99 105.19 111.93 8xia n GLY 213 Ca -0.14 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.01 8xia n GLY 213 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 8xia s VAL 214 N -1.25 2.56 -0.63 1.61 -7.23 -0.36 -0.77 120.40 114.32 8xia s VAL 214 Ca 0.00 -2.09 0.05 0.00 -1.81 0.00 0.00 61.98 58.13 8xia s VAL 214 Cb 0.00 -2.27 0.18 0.00 0.56 0.00 0.00 36.38 34.85 8xia s VAL 214 CO 0.00 -0.22 0.51 -3.20 -0.31 0.00 0.00 175.10 171.88 8xia n ASN 215 N -0.10 2.40 -4.77 4.85 5.15 0.23 -2.75 115.26 120.27 8xia n ASN 215 Ca -0.10 -3.08 -0.34 0.00 -0.60 0.00 0.00 54.58 50.46 8xia n ASN 215 Cb 0.57 -0.70 0.02 0.00 -0.53 0.00 0.00 39.78 39.14 8xia n ASN 215 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 8xia s PRO 216 N -1.34 3.12 -0.07 1.20 0.02 -1.26 -4.35 135.00 132.32 8xia s PRO 216 Ca 0.29 1.48 0.05 0.00 0.02 0.00 0.00 61.00 62.84 8xia s PRO 216 Cb 0.01 -1.99 -0.01 0.00 0.02 0.00 0.00 34.50 32.54 8xia s PRO 216 CO -0.15 -1.01 -0.23 -2.00 -0.33 0.00 0.00 177.00 173.28 8xia s GLU 217 N -3.69 2.54 0.11 5.54 2.12 -1.26 -0.74 118.70 123.33 8xia s GLU 217 Ca 0.69 -0.83 -0.29 0.00 0.36 0.00 0.00 54.97 54.90 8xia s GLU 217 Cb -0.22 -2.08 -0.10 0.00 0.26 0.00 0.00 34.13 31.99 8xia s GLU 217 CO 0.34 0.29 1.49 0.28 -0.54 0.00 0.00 175.26 177.11 8xia h VAL 218 N 5.31 0.00 -0.43 3.70 2.07 -1.73 -2.45 116.25 122.72 8xia h VAL 218 Ca -0.28 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.26 8xia h VAL 218 Cb 1.19 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 8xia h VAL 218 CO 0.47 0.00 0.29 1.23 0.02 0.00 0.00 177.57 179.58 8xia h GLY 219 N -0.39 0.54 0.98 2.17 0.00 -1.86 -2.95 103.07 101.57 8xia h GLY 219 Ca 0.06 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 8xia h GLY 219 CO -0.50 0.17 -0.08 0.45 0.00 0.00 0.00 176.54 176.58 8xia h HIS 220 N 0.49 0.87 -0.00 5.60 3.86 -1.78 -2.20 115.15 121.98 8xia h HIS 220 Ca 0.17 -0.18 -0.10 0.00 -1.16 0.00 0.00 60.37 59.10 8xia h HIS 220 Cb 0.09 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 8xia h HIS 220 CO -0.00 0.89 -0.47 0.93 0.86 0.00 0.00 177.93 180.14 8xia h GLU 221 N 0.60 0.01 0.00 2.45 4.39 -1.49 -2.70 114.58 117.83 8xia h GLU 221 Ca 0.11 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 8xia h GLU 221 Cb 0.60 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 8xia h GLU 221 CO 0.04 0.47 -0.05 1.96 -1.16 0.00 0.00 179.01 180.27 8xia h GLN 222 N 0.00 0.00 0.00 2.33 4.20 -1.32 -1.65 115.11 118.68 8xia h GLN 222 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 8xia h GLN 222 Cb 0.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 8xia h GLN 222 CO 0.06 0.05 0.00 0.52 -0.67 0.00 0.00 178.83 178.79 8xia h MET 223 N 0.00 0.00 -0.24 1.46 2.86 -1.05 -1.56 114.93 116.39 8xia h MET 223 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 8xia h MET 223 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 8xia h MET 223 CO 0.01 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.98 8xia n ALA 224 N -1.88 2.28 -1.59 6.32 0.00 -0.90 -4.73 120.51 120.01 8xia n ALA 224 Ca 0.01 -0.97 -0.13 0.00 0.00 0.00 0.00 53.44 52.35 8xia n ALA 224 Cb 0.21 -0.42 -0.04 0.00 0.00 0.00 0.00 19.45 19.20 8xia n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 8xia n GLY 225 N 0.56 1.00 3.92 0.00 0.00 -0.59 -5.01 105.19 105.07 8xia n GLY 225 Ca 0.10 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 8xia n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 8xia s LEU 226 N -3.14 3.52 -0.45 0.99 1.43 -0.67 -4.99 118.68 115.36 8xia s LEU 226 Ca 0.00 0.71 -0.24 0.00 -1.03 0.00 0.00 54.13 53.58 8xia s LEU 226 Cb 0.00 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.64 8xia s LEU 226 CO 0.00 -0.75 0.83 0.21 0.23 0.00 0.00 176.35 176.88 8xia s ASN 227 N -4.19 6.44 0.10 2.29 3.84 -1.26 -4.34 114.94 117.82 8xia s ASN 227 Ca 0.49 -0.04 -0.32 0.00 0.21 0.00 0.00 52.86 53.20 8xia s ASN 227 Cb -0.10 -2.41 -0.13 0.00 -0.55 0.00 0.00 41.25 38.06 8xia s ASN 227 CO 0.43 -0.96 1.59 0.15 -2.79 0.00 0.00 177.10 175.52 8xia h PHE 228 N 9.02 -1.15 -0.91 0.43 3.04 -1.91 -2.26 116.94 123.20 8xia h PHE 228 Ca -0.24 0.02 0.14 0.00 3.98 0.00 0.00 57.97 61.86 8xia h PHE 228 Cb 1.08 0.46 -0.07 0.00 2.56 0.00 0.00 35.95 39.98 8xia h PHE 228 CO 0.82 -0.55 0.58 -1.35 -2.02 0.00 0.00 178.31 175.79 8xia h PRO 229 N -0.77 0.71 -0.59 6.41 0.11 -1.93 -1.07 132.00 134.87 8xia h PRO 229 Ca -0.02 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 8xia h PRO 229 Cb 0.72 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 8xia h PRO 229 CO -0.13 0.47 0.02 0.45 -0.21 0.00 0.00 178.00 178.59 8xia h HIS 230 N 0.73 1.09 -0.56 0.65 3.86 -1.87 -1.16 115.15 117.88 8xia h HIS 230 Ca 0.46 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.45 8xia h HIS 230 Cb 0.69 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 8xia h HIS 230 CO -0.00 0.96 0.20 0.78 0.86 0.00 0.00 177.93 180.72 8xia h GLY 231 N 1.00 0.93 1.01 2.45 0.00 -0.75 -1.72 103.07 105.99 8xia h GLY 231 Ca 0.17 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 8xia h GLY 231 CO 0.03 0.50 0.15 -2.22 0.00 0.00 0.00 176.54 174.99 8xia h ILE 232 N 0.78 1.25 -0.70 2.60 1.08 -1.10 -1.38 117.51 120.04 8xia h ILE 232 Ca 0.18 -0.88 -0.03 0.00 -0.39 0.00 0.00 64.86 63.74 8xia h ILE 232 Cb 0.24 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 8xia h ILE 232 CO -0.01 0.33 0.31 0.00 -0.69 0.00 0.00 178.15 178.09 8xia h ALA 233 N 1.03 1.24 -0.49 1.87 0.00 -0.92 0.13 119.26 122.12 8xia h ALA 233 Ca 0.18 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 8xia h ALA 233 Cb 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 8xia h ALA 233 CO 0.00 0.57 -0.08 0.37 0.00 0.00 0.00 179.25 180.12 8xia h GLN 234 N 0.99 0.88 -0.35 0.00 4.15 -0.95 0.31 115.11 120.14 8xia h GLN 234 Ca 0.24 -0.29 -0.11 0.00 0.77 0.00 0.00 58.65 59.26 8xia h GLN 234 Cb 0.13 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 8xia h GLN 234 CO -0.03 0.92 -0.21 0.00 -1.93 0.00 0.00 178.83 177.58 8xia h ALA 235 N 1.11 0.50 -0.46 3.38 0.00 -0.69 -1.98 119.26 121.13 8xia h ALA 235 Ca 0.14 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 8xia h ALA 235 Cb 0.58 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 8xia h ALA 235 CO 0.04 0.46 0.11 -0.07 0.00 0.00 0.00 179.25 179.79 8xia h LEU 236 N 0.55 0.70 -1.04 0.00 3.38 -0.54 -0.53 115.31 117.83 8xia h LEU 236 Ca 0.07 -0.23 0.13 0.00 0.09 0.00 0.00 57.88 57.94 8xia h LEU 236 Cb 0.77 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 8xia h LEU 236 CO 0.06 0.75 0.63 -0.25 0.09 0.00 0.00 178.44 179.71 8xia h TRP 237 N 0.62 1.10 -0.00 1.13 7.01 -0.81 -0.64 115.95 124.36 8xia h TRP 237 Ca 0.15 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.18 8xia h TRP 237 Cb 0.32 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.03 8xia h TRP 237 CO 0.02 0.42 -0.08 0.00 -2.79 0.00 0.00 178.44 176.01 8xia n ALA 238 N -2.36 2.69 -1.78 2.65 0.00 -0.75 -4.92 120.51 116.04 8xia n ALA 238 Ca 0.19 -0.24 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 8xia n ALA 238 Cb 0.39 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 8xia n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 8xia n GLY 239 N 1.27 0.41 0.45 0.00 0.00 -0.25 -4.96 105.19 102.11 8xia n GLY 239 Ca 0.15 -0.63 0.06 0.00 0.00 0.00 0.00 46.02 45.60 8xia n GLY 239 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 8xia n LYS 240 N -2.13 2.62 -2.59 1.61 4.76 -0.24 -4.91 118.16 117.29 8xia n LYS 240 Ca -0.08 -2.23 -0.42 0.00 -2.87 0.00 0.00 58.31 52.71 8xia n LYS 240 Cb 0.44 -1.40 -0.02 0.00 -1.84 0.00 0.00 35.03 32.21 8xia n LYS 240 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 8xia s LEU 241 N -1.84 3.70 0.06 -0.35 2.96 -1.23 -1.23 118.68 120.75 8xia s LEU 241 Ca 0.25 -1.76 0.13 0.00 -0.22 0.00 0.00 54.13 52.53 8xia s LEU 241 Cb 0.18 -2.56 -0.16 0.00 0.50 0.00 0.00 46.19 44.15 8xia s LEU 241 CO 0.08 -1.39 0.93 -0.26 -1.32 0.00 0.00 176.35 174.39 8xia h PHE 242 N 9.14 0.00 -2.88 5.38 -1.00 -1.87 -3.48 116.94 122.24 8xia h PHE 242 Ca 0.26 0.00 0.08 0.00 2.81 0.00 0.00 57.97 61.12 8xia h PHE 242 Cb 0.97 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.49 8xia h PHE 242 CO 1.31 0.81 0.29 -1.58 -1.61 0.00 0.00 178.31 177.52 8xia s HIS 243 N -2.77 -0.12 -0.04 -0.55 2.46 -1.17 -4.86 115.29 108.24 8xia s HIS 243 Ca -0.02 -0.35 -0.17 0.00 0.47 0.00 0.00 55.06 54.99 8xia s HIS 243 Cb 0.09 0.72 0.03 0.00 -0.13 0.00 0.00 32.58 33.29 8xia s HIS 243 CO 0.81 -1.22 0.39 -1.50 -2.47 0.00 0.00 174.74 170.75 8xia s ILE 244 N -3.49 0.04 -0.23 0.89 2.07 -1.26 -4.11 121.20 115.11 8xia s ILE 244 Ca 0.12 -0.32 -0.02 0.00 -1.41 0.00 0.00 60.65 59.02 8xia s ILE 244 Cb -0.05 -0.67 0.01 0.00 0.13 0.00 0.00 42.46 41.88 8xia s ILE 244 CO 0.07 -0.18 -0.07 -1.81 -1.91 0.00 0.00 174.94 171.04 8xia s ASP 245 N -1.05 4.14 -0.15 4.50 -0.00 0.08 -3.50 116.67 120.70 8xia s ASP 245 Ca -0.11 -0.66 -0.06 0.00 -0.00 0.00 0.00 52.55 51.72 8xia s ASP 245 Cb -0.04 -1.67 -0.04 0.00 -0.00 0.00 0.00 42.92 41.17 8xia s ASP 245 CO 0.05 -0.07 0.07 -0.76 -0.00 0.00 0.00 175.17 174.46 8xia s LEU 246 N 1.38 3.91 0.00 1.23 1.43 0.98 -2.10 118.68 125.51 8xia s LEU 246 Ca 0.03 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 8xia s LEU 246 Cb -0.15 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.11 8xia s LEU 246 CO -0.05 0.27 0.00 -0.46 0.23 0.00 0.00 176.35 176.33 8xia n ASN 247 N 2.92 0.00 -4.09 2.29 0.23 -1.26 -2.15 115.26 113.19 8xia n ASN 247 Ca -0.18 -0.51 -0.11 0.00 -0.53 0.00 0.00 54.58 53.26 8xia n ASN 247 Cb 0.53 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.12 8xia n ASN 247 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 8xia s GLY 248 N -1.29 0.56 -0.14 4.83 0.00 -0.02 -4.48 107.32 106.78 8xia s GLY 248 Ca 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 44.72 43.58 8xia s GLY 248 CO 0.00 -1.10 0.37 1.62 0.00 0.00 0.00 173.10 173.99 8xia s GLN 249 N -2.73 0.42 -1.10 2.90 2.00 -1.26 -1.03 119.66 118.86 8xia s GLN 249 Ca -0.00 0.54 -0.08 0.00 -2.00 0.00 0.00 55.36 53.82 8xia s GLN 249 Cb -0.02 0.17 0.28 0.00 0.80 0.00 0.00 33.01 34.24 8xia s GLN 249 CO -0.03 -0.07 1.15 0.09 -0.50 0.00 0.00 175.29 175.93 8xia n ASN 250 N 3.08 5.58 0.00 6.67 3.02 -1.26 -3.61 115.26 128.74 8xia n ASN 250 Ca -0.15 -3.10 0.00 0.00 -0.03 0.00 0.00 54.58 51.31 8xia n ASN 250 Cb 0.57 -1.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 8xia n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 8xia n GLY 251 N 2.46 -1.80 3.51 7.41 0.00 -1.26 -4.73 105.19 110.78 8xia n GLY 251 Ca 0.24 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 8xia n GLY 251 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 8xia s ILE 252 N 0.00 4.35 0.00 -0.61 1.01 -1.26 -4.35 121.20 120.34 8xia s ILE 252 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.79 8xia s ILE 252 Cb 0.00 -4.58 0.00 0.00 0.01 0.00 0.00 42.46 37.89 8xia s ILE 252 CO 0.00 -1.21 0.00 1.17 0.00 0.00 0.00 174.94 174.90 8xia n LYS 253 N 7.58 0.00 -0.71 2.79 4.81 -1.26 -5.09 118.16 126.28 8xia n LYS 253 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.13 8xia n LYS 253 Cb 0.47 0.00 0.15 0.00 0.02 0.00 0.00 35.03 35.67 8xia n LYS 253 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 8xia n TYR 254 N 0.00 -0.06 -2.32 5.64 0.18 -1.26 -4.87 117.16 114.47 8xia n TYR 254 Ca 0.00 0.32 -0.41 0.00 1.88 0.00 0.00 57.90 59.69 8xia n TYR 254 Cb 0.00 -1.91 -0.03 0.00 -0.38 0.00 0.00 39.34 37.03 8xia n TYR 254 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 8xia s ASP 255 N -2.40 6.03 0.06 9.48 3.68 -1.26 -4.89 116.67 127.37 8xia s ASP 255 Ca 0.63 0.42 -0.12 0.00 2.13 0.00 0.00 52.55 55.62 8xia s ASP 255 Cb -0.22 -2.54 -0.28 0.00 -1.45 0.00 0.00 42.92 38.43 8xia s ASP 255 CO 0.62 -1.76 1.11 1.56 0.13 0.00 0.00 175.17 176.83 8xia h GLN 256 N 11.61 0.52 -5.74 4.34 4.20 -1.89 -3.48 115.11 124.67 8xia h GLN 256 Ca -0.27 -0.74 -0.36 0.00 0.06 0.00 0.00 58.65 57.34 8xia h GLN 256 Cb 1.11 0.25 0.15 0.00 0.30 0.00 0.00 27.48 29.29 8xia h GLN 256 CO 1.16 1.33 -0.74 -0.25 -0.67 0.00 0.00 178.83 179.66 8xia n ASP 257 N -3.72 -3.55 -4.85 1.46 10.43 -1.22 -4.68 116.55 110.42 8xia n ASP 257 Ca -0.13 -0.60 -0.30 0.00 2.57 0.00 0.00 54.79 56.34 8xia n ASP 257 Cb 1.00 -5.05 0.08 0.00 1.84 0.00 0.00 41.12 38.98 8xia n ASP 257 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 8xia s LEU 258 N -6.71 2.64 0.72 0.64 1.43 -0.20 -0.33 118.68 116.87 8xia s LEU 258 Ca 0.21 1.11 -0.16 0.00 -1.03 0.00 0.00 54.13 54.26 8xia s LEU 258 Cb -0.09 -3.75 0.03 0.00 0.03 0.00 0.00 46.19 42.40 8xia s LEU 258 CO 0.73 -1.77 1.22 -2.11 0.23 0.00 0.00 176.35 174.65 8xia n ARG 259 N -3.28 0.69 -1.78 1.70 1.85 -1.26 -0.84 116.66 113.74 8xia n ARG 259 Ca 0.07 0.30 -0.41 0.00 -1.00 0.00 0.00 57.85 56.81 8xia n ARG 259 Cb 0.58 -2.46 -0.01 0.00 -1.05 0.00 0.00 32.46 29.52 8xia n ARG 259 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 8xia s PHE 260 N -1.71 2.72 0.00 2.89 5.36 -1.26 -1.61 117.98 124.37 8xia s PHE 260 Ca 0.78 0.84 0.00 0.00 -0.96 0.00 0.00 56.93 57.59 8xia s PHE 260 Cb -0.34 -4.07 0.00 0.00 -0.34 0.00 0.00 43.02 38.27 8xia s PHE 260 CO 0.45 -3.52 0.00 0.41 -1.46 0.00 0.00 175.22 171.11 8xia n GLY 261 N 1.90 2.79 3.82 13.12 0.00 -1.26 -4.46 105.19 121.10 8xia n GLY 261 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 8xia n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8xia s ALA 262 N -2.75 2.26 0.00 4.61 0.00 -0.63 -4.29 121.76 120.95 8xia s ALA 262 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.59 8xia s ALA 262 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.06 8xia s ALA 262 CO 0.00 -1.79 0.00 0.41 0.00 0.00 0.00 175.76 174.38 8xia n GLY 263 N -2.41 0.57 3.50 0.00 0.00 -1.26 -4.14 105.19 101.44 8xia n GLY 263 Ca 0.07 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 8xia n GLY 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 8xia s ASP 264 N -4.00 6.48 0.19 1.61 -1.08 -1.24 -4.89 116.67 113.75 8xia s ASP 264 Ca 0.00 -1.57 -0.10 0.00 -0.52 0.00 0.00 52.55 50.37 8xia s ASP 264 Cb 0.00 -2.47 0.12 0.00 -1.46 0.00 0.00 42.92 39.10 8xia s ASP 264 CO 0.00 -1.33 1.74 0.25 0.52 0.00 0.00 175.17 176.35 8xia h LEU 265 N 11.56 0.99 -1.03 -1.34 5.85 -1.81 -2.40 115.31 127.13 8xia h LEU 265 Ca 0.07 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 8xia h LEU 265 Cb 1.03 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 8xia h LEU 265 CO 1.24 0.91 0.27 0.03 -0.34 0.00 0.00 178.44 180.55 8xia h ARG 266 N 1.01 0.96 -0.56 1.25 2.47 -1.94 -1.88 114.38 115.69 8xia h ARG 266 Ca 0.23 -0.15 -0.04 0.00 -1.26 0.00 0.00 59.98 58.76 8xia h ARG 266 Cb 0.25 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.38 8xia h ARG 266 CO -0.01 0.78 0.18 0.00 0.56 0.00 0.00 179.97 181.48 8xia h ALA 267 N 1.35 1.26 -0.70 0.04 0.00 -1.92 -1.32 119.26 117.98 8xia h ALA 267 Ca 0.22 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 8xia h ALA 267 Cb 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 8xia h ALA 267 CO -0.02 0.53 0.15 0.00 0.00 0.00 0.00 179.25 179.91 8xia h ALA 268 N 1.38 0.92 -0.09 0.00 0.00 -0.90 -0.20 119.26 120.38 8xia h ALA 268 Ca 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 8xia h ALA 268 Cb 0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 8xia h ALA 268 CO -0.01 0.66 0.02 0.35 0.00 0.00 0.00 179.25 180.26 8xia h PHE 269 N 1.06 0.15 0.00 0.00 3.04 -0.58 -1.19 116.94 119.42 8xia h PHE 269 Ca 0.22 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.09 8xia h PHE 269 Cb 0.39 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 8xia h PHE 269 CO 0.03 0.34 -0.27 -1.49 -2.02 0.00 0.00 178.31 174.90 8xia h TRP 270 N -0.09 0.00 -0.05 0.41 4.06 -1.04 -1.34 115.95 117.90 8xia h TRP 270 Ca 0.03 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.94 8xia h TRP 270 Cb 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.43 8xia h TRP 270 CO 0.01 0.27 -0.10 1.25 -3.56 0.00 0.00 178.44 176.31 8xia h LEU 271 N 0.00 0.17 -0.86 -4.49 5.85 -0.83 -1.96 115.31 113.19 8xia h LEU 271 Ca -0.00 -0.57 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 8xia h LEU 271 Cb 0.61 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 8xia h LEU 271 CO 0.04 0.71 0.50 0.58 -0.34 0.00 0.00 178.44 179.92 8xia h VAL 272 N -0.37 1.24 -0.35 1.05 2.07 -0.96 0.28 116.25 119.22 8xia h VAL 272 Ca 0.00 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 67.01 8xia h VAL 272 Cb 0.68 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 8xia h VAL 272 CO 0.02 0.26 0.04 -0.78 0.02 0.00 0.00 177.57 177.14 8xia h ASP 273 N 1.19 -0.05 -0.10 0.57 1.82 -1.20 -1.29 116.42 117.36 8xia h ASP 273 Ca 0.31 0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.99 8xia h ASP 273 Cb -0.01 0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.10 8xia h ASP 273 CO -0.05 0.01 -0.02 0.25 -1.61 0.00 0.00 179.24 177.81 8xia h LEU 274 N 0.15 0.19 -0.71 2.28 5.85 -0.88 0.14 115.31 122.32 8xia h LEU 274 Ca 0.17 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.55 8xia h LEU 274 Cb 0.20 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 8xia h LEU 274 CO -0.24 0.51 0.45 -0.07 -0.34 0.00 0.00 178.44 178.75 8xia h LEU 275 N -0.13 0.73 -0.18 2.25 3.38 -0.69 -0.79 115.31 119.88 8xia h LEU 275 Ca 0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 8xia h LEU 275 Cb 0.43 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.03 8xia h LEU 275 CO 0.01 0.50 -0.45 -0.33 0.09 0.00 0.00 178.44 178.26 8xia h GLU 276 N 0.87 0.62 -0.02 1.13 4.39 -1.27 -0.30 114.58 119.99 8xia h GLU 276 Ca 0.29 -0.43 -0.12 0.00 0.34 0.00 0.00 59.36 59.44 8xia h GLU 276 Cb 0.03 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 8xia h GLU 276 CO -0.11 1.05 -0.56 0.66 -1.16 0.00 0.00 179.01 178.88 8xia h SER 277 N 0.29 0.07 0.72 1.42 4.64 -0.74 -2.82 113.55 117.12 8xia h SER 277 Ca -0.01 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 8xia h SER 277 Cb 1.06 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 8xia h SER 277 CO 0.10 0.62 -0.12 0.00 -0.87 0.00 0.00 176.83 176.55 8xia n ALA 278 N -2.44 2.68 -2.77 5.18 0.00 -0.32 -4.94 120.51 117.90 8xia n ALA 278 Ca -0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 53.44 53.16 8xia n ALA 278 Cb 0.57 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.67 8xia n ALA 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 8xia n GLY 279 N 1.43 0.42 3.72 0.00 0.00 -0.96 -4.96 105.19 104.84 8xia n GLY 279 Ca 0.09 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 8xia n GLY 279 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 8xia s TYR 280 N -3.02 2.91 -0.18 1.61 5.04 -0.16 -4.89 117.35 118.66 8xia s TYR 280 Ca 0.17 0.41 0.08 0.00 -2.44 0.00 0.00 57.07 55.30 8xia s TYR 280 Cb -0.07 -4.07 0.17 0.00 0.35 0.00 0.00 41.96 38.34 8xia s TYR 280 CO 0.21 -4.05 1.12 -1.13 -1.34 0.00 0.00 175.55 170.36 8xia n SER 281 N 4.11 2.40 -3.68 4.32 3.41 -1.26 -4.91 113.62 118.01 8xia n SER 281 Ca 0.15 -2.41 -0.20 0.00 -0.26 0.00 0.00 58.87 56.16 8xia n SER 281 Cb 0.37 -0.21 0.12 0.00 -0.26 0.00 0.00 64.21 64.23 8xia n SER 281 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 8xia n GLY 282 N -0.63 -0.34 3.75 5.00 0.00 -1.26 -5.03 105.19 106.68 8xia n GLY 282 Ca 0.08 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 8xia n GLY 282 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 8xia s PRO 283 N -4.80 2.78 -0.80 1.61 0.02 -1.26 -4.97 135.00 127.59 8xia s PRO 283 Ca 0.53 1.69 -0.11 0.00 0.02 0.00 0.00 61.00 63.13 8xia s PRO 283 Cb -0.02 -1.92 0.21 0.00 0.02 0.00 0.00 34.50 32.79 8xia s PRO 283 CO 0.36 -1.32 0.71 1.03 -0.33 0.00 0.00 177.00 177.45 8xia s ARG 284 N -3.63 3.37 -0.09 5.54 3.00 0.06 -4.40 118.95 122.81 8xia s ARG 284 Ca 0.74 -2.54 -0.14 0.00 0.00 0.00 0.00 55.73 53.78 8xia s ARG 284 Cb -0.27 -4.25 -0.05 0.00 0.00 0.00 0.00 34.95 30.38 8xia s ARG 284 CO 0.37 -1.26 0.36 -1.58 0.00 0.00 0.00 175.30 173.19 8xia s HIS 285 N -0.01 3.59 -0.25 -0.53 2.46 -1.23 -1.54 115.29 117.78 8xia s HIS 285 Ca 0.19 0.81 -0.09 0.00 0.47 0.00 0.00 55.06 56.43 8xia s HIS 285 Cb -0.12 -2.33 -0.04 0.00 -0.13 0.00 0.00 32.58 29.96 8xia s HIS 285 CO -0.08 0.42 0.12 -0.06 -2.47 0.00 0.00 174.74 172.68 8xia s PHE 286 N -0.23 3.16 -0.55 3.88 0.08 0.33 -0.02 117.98 124.64 8xia s PHE 286 Ca 0.21 -0.14 -0.00 0.00 0.12 0.00 0.00 56.93 57.12 8xia s PHE 286 Cb -0.15 -2.27 0.14 0.00 -0.57 0.00 0.00 43.02 40.17 8xia s PHE 286 CO 0.09 -0.21 0.33 0.34 -0.10 0.00 0.00 175.22 175.67 8xia s ASP 287 N 1.50 4.91 0.22 1.36 2.15 -0.91 -3.50 116.67 122.40 8xia s ASP 287 Ca 0.06 -2.78 0.00 0.00 0.43 0.00 0.00 52.55 50.27 8xia s ASP 287 Cb -0.15 -1.77 -0.04 0.00 -0.30 0.00 0.00 42.92 40.66 8xia s ASP 287 CO 0.06 -0.34 0.16 0.72 -0.17 0.00 0.00 175.17 175.60 8xia s PHE 288 N 0.05 1.24 -0.13 -5.34 -0.71 -1.26 -4.61 117.98 107.22 8xia s PHE 288 Ca 0.16 -1.41 -0.01 0.00 -1.04 0.00 0.00 56.93 54.63 8xia s PHE 288 Cb -0.22 -0.56 0.03 0.00 -1.21 0.00 0.00 43.02 41.06 8xia s PHE 288 CO -0.03 -0.69 -0.04 0.15 -1.34 0.00 0.00 175.22 173.28 8xia s LYS 289 N -4.04 1.18 0.15 1.99 1.02 0.54 -4.46 119.74 116.13 8xia s LYS 289 Ca 0.39 -0.26 -0.31 0.00 0.02 0.00 0.00 55.97 55.81 8xia s LYS 289 Cb 0.06 -1.61 -0.10 0.00 -0.52 0.00 0.00 37.83 35.66 8xia s LYS 289 CO 0.14 -0.36 1.61 -2.14 -0.92 0.00 0.00 175.35 173.69 8xia s PRO 290 N 1.77 4.20 0.44 -1.68 0.02 -1.26 -4.68 135.00 133.81 8xia s PRO 290 Ca 0.03 2.39 -0.22 0.00 0.02 0.00 0.00 61.00 63.22 8xia s PRO 290 Cb -0.14 -3.26 -0.11 0.00 0.02 0.00 0.00 34.50 31.01 8xia s PRO 290 CO -0.07 -0.66 0.69 -2.30 -0.33 0.00 0.00 177.00 174.33 8xia n PRO 291 N 4.40 0.79 0.00 5.54 -0.02 -1.26 -4.83 135.00 139.62 8xia n PRO 291 Ca 0.15 0.29 0.04 0.00 -2.02 0.00 0.00 63.50 61.96 8xia n PRO 291 Cb 0.39 -1.70 0.20 0.00 -0.02 0.00 0.00 33.50 32.36 8xia n PRO 291 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 8xia n ARG 292 N 0.32 0.04 0.08 -0.52 1.85 -1.26 -1.30 116.66 115.87 8xia n ARG 292 Ca 0.11 0.30 0.11 0.00 -1.00 0.00 0.00 57.85 57.37 8xia n ARG 292 Cb 0.40 -1.50 0.45 0.00 -1.05 0.00 0.00 32.46 30.76 8xia n ARG 292 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 8xia n THR 293 N -1.43 0.70 -3.46 8.89 -2.24 -1.26 -4.81 114.28 110.67 8xia n THR 293 Ca 0.03 0.08 -0.31 0.00 -2.27 0.00 0.00 64.05 61.59 8xia n THR 293 Cb 0.09 -0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 67.38 8xia n THR 293 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 8xia s GLU 294 N -3.15 3.69 0.00 -0.78 0.41 -0.42 -5.11 118.70 113.35 8xia s GLU 294 Ca 0.08 0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.71 8xia s GLU 294 Cb 0.11 -2.70 0.00 0.00 -1.78 0.00 0.00 34.13 29.76 8xia s GLU 294 CO 0.43 0.32 0.00 -0.40 -0.49 0.00 0.00 175.26 175.12 8xia n ASP 295 N -0.37 0.00 -0.28 -0.19 3.85 -1.26 -4.86 116.55 113.43 8xia n ASP 295 Ca -0.01 -0.91 -0.01 0.00 -0.71 0.00 0.00 54.79 53.15 8xia n ASP 295 Cb 0.53 0.00 0.18 0.00 -1.35 0.00 0.00 41.12 40.48 8xia n ASP 295 CO 0.00 0.00 0.00 -0.26 -1.01 0.00 0.00 177.20 175.93 8xia h PHE 296 N -0.22 1.09 -0.78 2.11 0.05 -1.99 -2.03 116.94 115.17 8xia h PHE 296 Ca 0.00 0.02 0.04 0.00 3.82 0.00 0.00 57.97 61.84 8xia h PHE 296 Cb 0.00 -0.36 -0.05 0.00 2.00 0.00 0.00 35.95 37.54 8xia h PHE 296 CO 0.00 0.70 0.49 -0.44 -0.18 0.00 0.00 178.31 178.88 8xia h ASP 297 N 1.16 0.80 -0.08 2.17 3.32 -2.00 -1.95 116.42 119.84 8xia h ASP 297 Ca 0.31 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.26 8xia h ASP 297 Cb -0.10 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 8xia h ASP 297 CO -0.06 0.54 -0.28 1.23 -1.72 0.00 0.00 179.24 178.95 8xia h GLY 298 N 0.94 0.58 0.93 2.75 0.00 -1.78 -1.79 103.07 104.70 8xia h GLY 298 Ca 0.32 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 8xia h GLY 298 CO -0.12 0.45 -0.08 -2.08 0.00 0.00 0.00 176.54 174.71 8xia h VAL 299 N 0.46 0.82 -0.41 4.60 2.07 -0.68 -0.27 116.25 122.84 8xia h VAL 299 Ca 0.06 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 8xia h VAL 299 Cb 0.73 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 8xia h VAL 299 CO 0.06 0.00 -0.03 -0.50 0.02 0.00 0.00 177.57 177.12 8xia h TRP 300 N -0.19 0.72 -0.49 1.57 4.06 -1.36 -1.37 115.95 118.89 8xia h TRP 300 Ca -0.00 -0.10 -0.13 0.00 2.06 0.00 0.00 58.89 60.72 8xia h TRP 300 Cb 0.17 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 8xia h TRP 300 CO -0.10 0.70 -0.20 0.00 -3.56 0.00 0.00 178.44 175.28 8xia h ALA 301 N 1.34 0.71 -0.25 1.49 0.00 -1.10 -0.14 119.26 121.30 8xia h ALA 301 Ca 0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 8xia h ALA 301 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 8xia h ALA 301 CO 0.02 0.68 0.10 1.03 0.00 0.00 0.00 179.25 181.07 8xia h SER 302 N 0.86 0.35 -0.57 0.00 0.87 -0.76 0.06 113.55 114.37 8xia h SER 302 Ca 0.11 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 8xia h SER 302 Cb 0.78 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 8xia h SER 302 CO 0.07 0.42 0.17 0.00 -0.53 0.00 0.00 176.83 176.96 8xia h ALA 303 N 0.94 0.74 -0.81 6.23 0.00 -1.15 -2.34 119.26 122.86 8xia h ALA 303 Ca 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 8xia h ALA 303 Cb 0.18 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 8xia h ALA 303 CO -0.01 0.41 0.40 0.00 0.00 0.00 0.00 179.25 180.06 8xia h ALA 304 N 1.04 1.17 -0.44 0.00 0.00 -0.86 -2.68 119.26 117.49 8xia h ALA 304 Ca 0.18 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.96 8xia h ALA 304 Cb 0.29 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 8xia h ALA 304 CO -0.00 0.63 0.29 0.78 0.00 0.00 0.00 179.25 180.95 8xia h GLY 305 N 1.18 0.59 0.43 0.00 0.00 -0.47 -1.79 103.07 103.00 8xia h GLY 305 Ca 0.28 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.45 8xia h GLY 305 CO -0.04 0.20 -0.11 0.00 0.00 0.00 0.00 176.54 176.59 8xia h MET 307 N -0.08 0.76 -0.52 0.00 2.86 -1.40 -2.79 114.93 113.76 8xia h MET 307 Ca 0.12 -0.45 0.02 0.00 -2.06 0.00 0.00 59.70 57.33 8xia h MET 307 Cb 0.26 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 8xia h MET 307 CO -0.28 1.07 0.33 -0.09 1.06 0.00 0.00 176.91 179.00 8xia h ARG 308 N 0.51 0.64 -0.57 1.72 2.43 -1.12 -1.46 114.38 116.52 8xia h ARG 308 Ca 0.03 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 8xia h ARG 308 Cb 1.00 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 8xia h ARG 308 CO 0.09 0.42 0.18 -0.91 -1.51 0.00 0.00 179.97 178.25 8xia h ASN 309 N 0.66 0.84 -0.48 -3.80 2.35 -0.77 -0.64 115.58 113.74 8xia h ASN 309 Ca 0.20 -0.21 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 8xia h ASN 309 Cb -0.03 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 8xia h ASN 309 CO -0.07 0.82 0.29 0.22 -1.65 0.00 0.00 177.43 177.05 8xia h TYR 310 N 0.81 0.55 -0.79 1.19 3.20 -1.19 -1.96 116.97 118.78 8xia h TYR 310 Ca 0.19 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 8xia h TYR 310 Cb 0.29 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 8xia h TYR 310 CO 0.02 0.32 0.39 -0.07 -1.64 0.00 0.00 178.16 177.18 8xia h LEU 311 N 0.59 1.02 -0.23 2.82 3.38 -0.60 -0.03 115.31 122.26 8xia h LEU 311 Ca 0.19 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 8xia h LEU 311 Cb -0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 8xia h LEU 311 CO -0.08 0.86 0.02 0.40 0.09 0.00 0.00 178.44 179.73 8xia h ILE 312 N 1.11 1.24 -0.70 1.22 2.04 -0.96 -2.11 117.51 119.34 8xia h ILE 312 Ca 0.27 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 8xia h ILE 312 Cb 0.10 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 8xia h ILE 312 CO -0.04 0.26 0.39 -0.07 0.00 0.00 0.00 178.15 178.69 8xia h LEU 313 N 0.17 0.86 -0.63 1.44 4.07 -1.13 -1.26 115.31 118.83 8xia h LEU 313 Ca 0.07 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 8xia h LEU 313 Cb 0.36 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.85 8xia h LEU 313 CO 0.01 0.69 0.39 0.50 -1.08 0.00 0.00 178.44 178.95 8xia h LYS 314 N 0.97 0.85 -0.22 1.13 3.64 -0.82 -0.61 116.57 121.52 8xia h LYS 314 Ca 0.25 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 8xia h LYS 314 Cb 0.02 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 8xia h LYS 314 CO -0.04 0.60 0.03 1.49 -2.27 0.00 0.00 179.45 179.26 8xia h GLU 315 N 0.86 0.38 -0.66 1.90 4.81 -0.69 -2.45 114.58 118.73 8xia h GLU 315 Ca 0.23 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 8xia h GLU 315 Cb -0.04 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 8xia h GLU 315 CO -0.04 0.53 0.18 0.00 -0.73 0.00 0.00 179.01 178.95 8xia h ARG 316 N 0.17 1.02 -0.27 1.92 2.47 -1.02 -1.19 114.38 117.48 8xia h ARG 316 Ca 0.07 -0.22 -0.13 0.00 -1.26 0.00 0.00 59.98 58.44 8xia h ARG 316 Cb 0.34 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 8xia h ARG 316 CO 0.01 0.89 -0.37 0.00 0.56 0.00 0.00 179.97 181.06 8xia h ALA 317 N 1.22 0.85 -0.24 0.04 0.00 -1.09 -1.48 119.26 118.55 8xia h ALA 317 Ca 0.21 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 8xia h ALA 317 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 8xia h ALA 317 CO -0.00 0.64 -0.08 0.00 0.00 0.00 0.00 179.25 179.80 8xia h ALA 318 N 1.09 0.34 -0.75 0.00 0.00 -1.31 -0.89 119.26 117.74 8xia h ALA 318 Ca 0.05 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 8xia h ALA 318 Cb 0.87 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 8xia h ALA 318 CO 0.07 0.16 0.25 0.00 0.00 0.00 0.00 179.25 179.74 8xia h ALA 319 N 0.74 0.97 0.14 0.00 0.00 -1.11 -1.53 119.26 118.47 8xia h ALA 319 Ca 0.06 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.76 8xia h ALA 319 Cb 0.56 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 8xia h ALA 319 CO 0.03 0.64 -0.14 0.35 0.00 0.00 0.00 179.25 180.13 8xia h PHE 320 N 1.10 -0.37 0.00 0.00 3.57 -1.00 -1.75 116.94 118.48 8xia h PHE 320 Ca 0.24 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 8xia h PHE 320 Cb 0.28 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 8xia h PHE 320 CO 0.02 -0.22 -0.40 0.00 -2.23 0.00 0.00 178.31 175.49 8xia h ARG 321 N -0.31 0.00 0.00 1.11 2.47 -0.99 -2.96 114.38 113.70 8xia h ARG 321 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 8xia h ARG 321 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 8xia h ARG 321 CO -0.04 0.40 -0.05 0.00 0.56 0.00 0.00 179.97 180.83 8xia h ALA 322 N 1.60 0.97 -2.32 0.04 0.00 -1.13 -3.44 119.26 114.98 8xia h ALA 322 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 8xia h ALA 322 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 8xia h ALA 322 CO 0.05 0.00 0.78 0.34 0.00 0.00 0.00 179.25 180.43 8xia s ASP 323 N -5.08 6.95 0.47 0.00 -1.08 -0.67 -4.92 116.67 112.34 8xia s ASP 323 Ca 0.09 1.94 0.12 0.00 -0.52 0.00 0.00 52.55 54.18 8xia s ASP 323 Cb 0.10 -2.56 1.09 0.00 -1.46 0.00 0.00 42.92 40.09 8xia s ASP 323 CO 0.63 -0.67 2.10 -0.65 0.52 0.00 0.00 175.17 177.11 8xia h PRO 324 N 7.74 0.24 -0.04 4.34 0.11 -1.90 -0.44 132.00 142.05 8xia h PRO 324 Ca -0.35 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.64 8xia h PRO 324 Cb 1.16 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 8xia h PRO 324 CO 0.90 0.16 -0.47 1.49 -0.21 0.00 0.00 178.00 179.87 8xia h GLU 325 N 0.25 0.10 -0.08 1.05 4.81 -1.95 -1.30 114.58 117.45 8xia h GLU 325 Ca 0.08 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 8xia h GLU 325 Cb 0.01 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.40 8xia h GLU 325 CO -0.02 0.55 -0.41 0.28 -0.73 0.00 0.00 179.01 178.68 8xia h VAL 326 N 0.08 1.40 -0.86 0.32 2.07 -1.40 -2.07 116.25 115.79 8xia h VAL 326 Ca 0.00 -1.79 0.06 0.00 0.82 0.00 0.00 66.70 65.79 8xia h VAL 326 Cb 0.86 2.29 -0.06 0.00 -1.52 0.00 0.00 31.29 32.86 8xia h VAL 326 CO 0.07 0.52 0.54 1.56 0.02 0.00 0.00 177.57 180.28 8xia h GLN 327 N -0.04 0.96 -0.34 1.57 4.20 -1.10 0.23 115.11 120.60 8xia h GLN 327 Ca -0.03 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 8xia h GLN 327 Cb 1.06 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 8xia h GLN 327 CO 0.09 0.64 -0.29 1.49 -0.67 0.00 0.00 178.83 180.08 8xia h GLU 328 N 0.99 0.71 -0.71 1.46 4.57 -1.24 -2.47 114.58 117.89 8xia h GLU 328 Ca 0.37 -0.31 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 8xia h GLU 328 Cb 0.14 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 8xia h GLU 328 CO -0.16 0.91 0.17 0.00 -1.18 0.00 0.00 179.01 178.75 8xia h ALA 329 N 1.07 0.96 -0.62 2.92 0.00 -0.36 0.47 119.26 123.70 8xia h ALA 329 Ca 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 8xia h ALA 329 Cb 0.80 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 8xia h ALA 329 CO 0.07 0.67 0.28 -0.07 0.00 0.00 0.00 179.25 180.19 8xia h LEU 330 N 1.07 0.80 -0.52 0.00 3.38 -0.46 -0.85 115.31 118.73 8xia h LEU 330 Ca 0.22 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 8xia h LEU 330 Cb 0.38 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 8xia h LEU 330 CO 0.00 0.70 -0.42 0.03 0.09 0.00 0.00 178.44 178.84 8xia h ARG 331 N 0.88 0.73 -0.03 1.13 3.08 -0.94 -0.31 114.38 118.92 8xia h ARG 331 Ca 0.21 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 8xia h ARG 331 Cb 0.12 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 8xia h ARG 331 CO -0.02 1.01 -0.18 0.00 -1.07 0.00 0.00 179.97 179.71 8xia h ALA 332 N 0.93 1.65 -0.13 0.04 0.00 -0.20 -1.32 119.26 120.24 8xia h ALA 332 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 8xia h ALA 332 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 8xia h ALA 332 CO 0.09 0.26 0.00 0.43 0.00 0.00 0.00 179.25 180.03 8xia n SER 333 N -4.31 2.11 -1.54 0.00 7.64 -0.39 -4.78 113.62 112.35 8xia n SER 333 Ca -0.02 -1.73 -0.13 0.00 1.01 0.00 0.00 58.87 57.99 8xia n SER 333 Cb 0.25 -0.07 -0.00 0.00 -1.01 0.00 0.00 64.21 63.38 8xia n SER 333 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 8xia n ARG 334 N 0.63 -1.27 0.21 1.43 3.00 -0.50 -4.91 116.66 115.25 8xia n ARG 334 Ca 0.17 0.63 0.06 0.00 -0.01 0.00 0.00 57.85 58.70 8xia n ARG 334 Cb 0.43 -4.84 0.55 0.00 0.00 0.00 0.00 32.46 28.60 8xia n ARG 334 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 8xia h LEU 335 N -0.10 0.07 -0.58 0.55 -0.00 -1.32 -2.06 115.31 111.88 8xia h LEU 335 Ca -0.31 -0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.51 8xia h LEU 335 Cb 1.23 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.85 8xia h LEU 335 CO 0.36 0.13 0.18 -2.24 -0.00 0.00 0.00 178.44 176.87 8xia h ASP 336 N 0.08 0.85 0.47 -0.43 -0.00 -1.89 -2.88 116.42 112.62 8xia h ASP 336 Ca 0.02 -0.21 -0.11 0.00 -0.00 0.00 0.00 57.03 56.73 8xia h ASP 336 Cb 0.13 -0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 39.22 8xia h ASP 336 CO 0.01 0.84 -0.51 -0.33 -0.00 0.00 0.00 179.24 179.24 8xia h GLU 337 N 0.82 0.04 -0.02 4.15 5.08 -1.77 -2.95 114.58 119.93 8xia h GLU 337 Ca 0.19 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 8xia h GLU 337 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 8xia h GLU 337 CO -0.00 0.54 -0.35 1.25 -1.00 0.00 0.00 179.01 179.45 8xia h LEU 338 N 0.03 0.03 0.00 1.33 5.85 -1.21 -2.39 115.31 118.95 8xia h LEU 338 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 8xia h LEU 338 Cb 0.91 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.94 8xia h LEU 338 CO 0.07 0.38 0.00 0.00 -0.34 0.00 0.00 178.44 178.55 8xia n ALA 339 N -2.47 2.29 -2.81 1.25 0.00 -1.12 -4.82 120.51 112.83 8xia n ALA 339 Ca -0.02 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 52.98 8xia n ALA 339 Cb 0.39 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 8xia n ALA 339 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 8xia s ARG 340 N -2.81 3.53 0.44 0.00 0.52 -0.90 -5.05 118.95 114.67 8xia s ARG 340 Ca 0.19 -0.20 -0.25 0.00 -0.52 0.00 0.00 55.73 54.95 8xia s ARG 340 Cb 0.18 -3.04 -0.09 0.00 0.52 0.00 0.00 34.95 32.52 8xia s ARG 340 CO 0.46 0.62 1.38 -2.30 0.02 0.00 0.00 175.30 175.48 8xia n PRO 341 N 0.79 2.16 0.07 3.54 -0.02 -1.26 -4.91 135.00 135.36 8xia n PRO 341 Ca -0.09 0.77 -0.07 0.00 -2.02 0.00 0.00 63.50 62.09 8xia n PRO 341 Cb 0.52 -2.55 0.07 0.00 -0.02 0.00 0.00 33.50 31.53 8xia n PRO 341 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 8xia h THR 342 N 2.24 1.39 -1.26 3.45 2.02 -1.94 -3.39 112.91 115.42 8xia h THR 342 Ca -0.50 -2.10 -0.41 0.00 0.77 0.00 0.00 66.41 64.17 8xia h THR 342 Cb 1.28 2.08 -0.30 0.00 -1.74 0.00 0.00 68.15 69.46 8xia h THR 342 CO 0.61 0.62 -0.90 0.00 0.37 0.00 0.00 175.52 176.22 8xia n ALA 343 N -2.49 1.00 0.27 6.16 0.00 -1.26 -4.91 120.51 119.28 8xia n ALA 343 Ca -0.03 -2.68 0.15 0.00 0.00 0.00 0.00 53.44 50.89 8xia n ALA 343 Cb 0.67 -1.01 0.74 0.00 0.00 0.00 0.00 19.45 19.85 8xia n ALA 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 8xia h ALA 344 N 3.51 1.09 0.00 0.00 0.00 -1.99 -1.07 119.26 120.80 8xia h ALA 344 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 8xia h ALA 344 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 8xia h ALA 344 CO 0.39 0.10 0.00 0.38 0.00 0.00 0.00 179.25 180.12 8xia h ASP 345 N 0.00 0.00 -4.68 0.00 -0.00 -1.95 -3.48 116.42 106.30 8xia h ASP 345 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 8xia h ASP 345 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.76 8xia h ASP 345 CO 0.01 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.86 8xia n GLY 346 N -0.40 0.43 0.23 7.15 0.00 -0.41 -4.34 105.19 107.85 8xia n GLY 346 Ca 0.00 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 8xia n GLY 346 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 8xia h LEU 347 N 0.00 -0.53 -0.80 0.99 6.46 -1.94 -1.26 115.31 118.23 8xia h LEU 347 Ca 0.00 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.87 8xia h LEU 347 Cb 0.00 0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.09 8xia h LEU 347 CO 0.00 -0.26 0.50 -0.61 -0.62 0.00 0.00 178.44 177.45 8xia h GLN 348 N -0.33 0.91 -0.61 1.25 5.75 -2.00 0.50 115.11 120.58 8xia h GLN 348 Ca 0.04 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 8xia h GLN 348 Cb 0.38 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 8xia h GLN 348 CO -0.13 0.60 0.37 0.00 -2.65 0.00 0.00 178.83 177.02 8xia h ALA 349 N 1.36 0.78 -0.52 3.38 0.00 -1.71 -1.54 119.26 121.00 8xia h ALA 349 Ca 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 8xia h ALA 349 Cb 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 8xia h ALA 349 CO -0.14 0.25 0.28 1.25 0.00 0.00 0.00 179.25 180.89 8xia h LEU 350 N 0.82 0.66 -1.51 0.00 5.85 -0.54 -1.24 115.31 119.35 8xia h LEU 350 Ca 0.22 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 8xia h LEU 350 Cb -0.02 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 8xia h LEU 350 CO -0.04 0.57 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.49 8xia h LEU 351 N 0.70 0.21 0.00 2.25 3.38 -0.52 -2.81 115.31 118.52 8xia h LEU 351 Ca 0.18 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 8xia h LEU 351 Cb 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.76 8xia h LEU 351 CO -0.03 0.32 -0.50 0.47 0.09 0.00 0.00 178.44 178.78 8xia n ASP 352 N -4.34 0.50 -4.57 -0.43 10.43 -0.62 -4.82 116.55 112.71 8xia n ASP 352 Ca -0.01 -0.24 -0.41 0.00 2.57 0.00 0.00 54.79 56.71 8xia n ASP 352 Cb 0.22 0.25 -0.03 0.00 1.84 0.00 0.00 41.12 43.40 8xia n ASP 352 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 8xia s ASP 353 N -3.04 6.08 0.43 -2.24 3.68 -0.50 -4.86 116.67 116.22 8xia s ASP 353 Ca 0.11 0.07 0.30 0.00 2.13 0.00 0.00 52.55 55.16 8xia s ASP 353 Cb 0.17 -2.55 1.30 0.00 -1.45 0.00 0.00 42.92 40.39 8xia s ASP 353 CO 0.70 -1.80 1.89 0.03 0.13 0.00 0.00 175.17 176.12 8xia h ARG 354 N 11.05 0.00 0.00 4.34 3.08 -1.87 -2.25 114.38 128.72 8xia h ARG 354 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 8xia h ARG 354 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 8xia h ARG 354 CO 1.21 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.77 8xia h SER 355 N 0.00 0.00 0.66 7.04 4.64 -1.89 0.21 113.55 124.21 8xia h SER 355 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 8xia h SER 355 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 8xia h SER 355 CO 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 176.83 175.56 8xia n ALA 356 N -1.80 3.20 -0.50 5.18 0.00 -0.85 -3.94 120.51 121.80 8xia n ALA 356 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.20 8xia n ALA 356 Cb 0.34 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.58 8xia n ALA 356 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 8xia n PHE 357 N -1.57 -0.63 -0.24 0.00 -0.00 -1.01 -4.80 117.46 109.20 8xia n PHE 357 Ca 0.06 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.55 8xia n PHE 357 Cb 0.35 0.25 0.17 0.00 -0.00 0.00 0.00 39.48 40.25 8xia n PHE 357 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 8xia h GLU 358 N 0.00 0.34 -0.28 -4.13 3.07 -1.80 -1.91 114.58 109.87 8xia h GLU 358 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 8xia h GLU 358 Cb 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 8xia h GLU 358 CO 0.00 0.22 0.00 0.39 -1.40 0.00 0.00 179.01 178.22 8xia n GLU 359 N -5.08 2.88 -2.33 2.33 1.02 0.71 -4.99 120.64 115.18 8xia n GLU 359 Ca 0.13 -2.53 -0.42 0.00 -0.02 0.00 0.00 57.16 54.33 8xia n GLU 359 Cb 0.42 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 8xia n GLU 359 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 8xia s PHE 360 N -2.14 3.36 -0.83 -0.32 5.36 -0.72 -4.87 117.98 117.82 8xia s PHE 360 Ca 0.34 1.17 -0.18 0.00 -0.96 0.00 0.00 56.93 57.30 8xia s PHE 360 Cb 0.25 -3.52 0.14 0.00 -0.34 0.00 0.00 43.02 39.56 8xia s PHE 360 CO 0.11 -1.68 0.96 0.34 -1.46 0.00 0.00 175.22 173.49 8xia s ASP 361 N 1.09 6.56 0.20 6.13 3.68 -1.26 -4.89 116.67 128.18 8xia s ASP 361 Ca 0.61 -2.04 -0.11 0.00 2.13 0.00 0.00 52.55 53.14 8xia s ASP 361 Cb -0.32 -2.34 0.13 0.00 -1.45 0.00 0.00 42.92 38.94 8xia s ASP 361 CO 0.29 -0.98 1.85 -0.37 0.13 0.00 0.00 175.17 176.10 8xia h VAL 362 N 5.60 1.19 -0.60 1.11 -1.51 -1.96 -2.53 116.25 117.54 8xia h VAL 362 Ca 0.04 -0.39 -0.04 0.00 -1.23 0.00 0.00 66.70 65.08 8xia h VAL 362 Cb 1.04 0.20 -0.03 0.00 -2.13 0.00 0.00 31.29 30.38 8xia h VAL 362 CO 1.02 0.19 0.20 0.44 -1.23 0.00 0.00 177.57 178.20 8xia h ASP 363 N 0.94 0.83 -0.25 4.19 3.32 -1.99 0.23 116.42 123.70 8xia h ASP 363 Ca 0.25 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 8xia h ASP 363 Cb -0.07 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 8xia h ASP 363 CO -0.05 0.77 -0.27 0.00 -1.72 0.00 0.00 179.24 177.97 8xia h ALA 364 N 1.34 0.37 -0.36 3.45 0.00 -1.94 -2.42 119.26 119.70 8xia h ALA 364 Ca 0.20 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 8xia h ALA 364 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 8xia h ALA 364 CO -0.01 0.37 0.16 0.00 0.00 0.00 0.00 179.25 179.77 8xia h ALA 365 N 0.68 0.46 -0.13 0.00 0.00 -1.28 -2.84 119.26 116.15 8xia h ALA 365 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 8xia h ALA 365 Cb 0.84 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 8xia h ALA 365 CO 0.07 0.05 0.03 0.00 0.00 0.00 0.00 179.25 179.39 8xia h ALA 366 N 1.00 1.81 0.00 0.00 0.00 -0.91 -2.50 119.26 118.67 8xia h ALA 366 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 8xia h ALA 366 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 8xia h ALA 366 CO -0.01 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.39 8xia n ALA 367 N -2.51 2.08 -2.39 0.00 0.00 -0.92 -4.74 120.51 112.03 8xia n ALA 367 Ca -0.01 -0.05 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 8xia n ALA 367 Cb 0.13 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.15 8xia n ALA 367 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 8xia s ARG 368 N -3.07 4.23 0.48 0.00 0.52 -0.94 -5.00 118.95 115.16 8xia s ARG 368 Ca 0.10 1.70 -0.21 0.00 -0.52 0.00 0.00 55.73 56.80 8xia s ARG 368 Cb 0.14 -3.78 -0.08 0.00 0.52 0.00 0.00 34.95 31.75 8xia s ARG 368 CO 0.47 -0.71 1.08 0.20 0.02 0.00 0.00 175.30 176.35 8xia s GLY 369 N 2.07 2.62 0.33 -3.53 0.00 -1.26 -4.96 107.32 102.59 8xia s GLY 369 Ca 0.56 0.72 0.23 0.00 0.00 0.00 0.00 44.72 46.23 8xia s GLY 369 CO 0.16 1.09 1.44 -0.33 0.00 0.00 0.00 173.10 175.45 8xia h MET 370 N 1.75 0.00 -2.94 2.90 0.00 -1.94 -3.48 114.93 111.21 8xia h MET 370 Ca -0.49 0.00 -0.38 0.00 0.00 0.00 0.00 59.70 58.83 8xia h MET 370 Cb 1.23 0.00 -0.04 0.00 0.00 0.00 0.00 31.60 32.80 8xia h MET 370 CO 0.59 0.00 -0.47 0.00 0.00 0.00 0.00 176.91 177.04 8xia n ALA 371 N -2.08 -0.61 0.15 6.32 0.00 -1.26 -4.19 120.51 118.83 8xia n ALA 371 Ca 0.03 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.64 8xia n ALA 371 Cb 0.52 -2.01 0.27 0.00 0.00 0.00 0.00 19.45 18.23 8xia n ALA 371 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 8xia h PHE 372 N 0.00 0.06 -0.16 0.00 0.04 -1.96 -3.08 116.94 111.84 8xia h PHE 372 Ca -0.44 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.13 8xia h PHE 372 Cb 1.32 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.45 8xia h PHE 372 CO 0.59 0.51 -0.65 0.93 -0.60 0.00 0.00 178.31 179.08 8xia h GLU 373 N 0.04 0.60 -0.39 1.51 4.39 -1.98 0.90 114.58 119.66 8xia h GLU 373 Ca -0.00 -0.44 -0.02 0.00 0.34 0.00 0.00 59.36 59.24 8xia h GLU 373 Cb 0.84 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 8xia h GLU 373 CO 0.06 1.06 0.17 -0.09 -1.16 0.00 0.00 179.01 179.05 8xia h ARG 374 N 0.44 0.57 -0.45 2.33 1.12 -1.97 -0.42 114.38 115.99 8xia h ARG 374 Ca -0.02 -0.09 0.02 0.00 -1.11 0.00 0.00 59.98 58.78 8xia h ARG 374 Cb 1.23 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 31.07 8xia h ARG 374 CO 0.13 0.53 0.27 1.25 -3.11 0.00 0.00 179.97 179.03 8xia h LEU 375 N 0.48 0.44 -1.21 3.80 5.85 -1.44 -1.87 115.31 121.36 8xia h LEU 375 Ca 0.13 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 8xia h LEU 375 Cb 0.16 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 8xia h LEU 375 CO -0.01 0.32 -0.24 -0.78 -0.34 0.00 0.00 178.44 177.39 8xia h ASP 376 N 0.55 0.24 0.16 1.25 -0.00 -0.43 -1.92 116.42 116.26 8xia h ASP 376 Ca 0.18 -0.07 -0.13 0.00 -0.00 0.00 0.00 57.03 57.01 8xia h ASP 376 Cb 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 39.33 39.26 8xia h ASP 376 CO -0.08 0.49 -0.49 -0.61 -0.00 0.00 0.00 179.24 178.55 8xia h GLN 377 N 0.22 0.38 -0.65 0.28 5.75 -0.68 -1.19 115.11 119.22 8xia h GLN 377 Ca 0.04 -0.21 -0.04 0.00 -0.15 0.00 0.00 58.65 58.28 8xia h GLN 377 Cb 0.55 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 8xia h GLN 377 CO 0.04 0.78 0.22 -0.07 -2.65 0.00 0.00 178.83 177.16 8xia h LEU 378 N 0.30 0.89 -0.79 -2.39 3.38 -0.88 0.95 115.31 116.78 8xia h LEU 378 Ca 0.02 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 8xia h LEU 378 Cb 0.97 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 8xia h LEU 378 CO 0.08 0.82 -0.04 0.00 0.09 0.00 0.00 178.44 179.40 8xia h ALA 379 N 1.30 0.99 -0.22 1.53 0.00 -1.04 -0.53 119.26 121.30 8xia h ALA 379 Ca 0.21 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 8xia h ALA 379 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 8xia h ALA 379 CO -0.01 0.61 -0.02 1.98 0.00 0.00 0.00 179.25 181.81 8xia h MET 380 N 0.80 0.40 -0.60 0.00 1.85 -0.75 -0.04 114.93 116.58 8xia h MET 380 Ca 0.14 -0.14 0.07 0.00 -0.61 0.00 0.00 59.70 59.16 8xia h MET 380 Cb 0.53 -0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.48 8xia h MET 380 CO 0.03 0.61 0.29 -0.44 -0.40 0.00 0.00 176.91 177.00 8xia h ASP 381 N 0.15 0.39 -0.20 1.39 3.45 -0.65 -1.39 116.42 119.56 8xia h ASP 381 Ca 0.06 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.54 8xia h ASP 381 Cb 0.45 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 8xia h ASP 381 CO 0.02 0.25 0.04 0.45 -1.57 0.00 0.00 179.24 178.43 8xia h HIS 382 N 0.54 0.35 -0.86 4.55 3.86 -0.94 0.66 115.15 123.31 8xia h HIS 382 Ca 0.28 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.49 8xia h HIS 382 Cb 0.23 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.55 8xia h HIS 382 CO -0.11 0.46 0.54 1.25 0.86 0.00 0.00 177.93 180.93 8xia h LEU 383 N 0.14 0.87 -0.05 2.43 5.85 -0.54 -2.66 115.31 121.34 8xia h LEU 383 Ca 0.06 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 8xia h LEU 383 Cb 0.29 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.15 8xia h LEU 383 CO 0.00 0.57 -0.03 0.18 -0.34 0.00 0.00 178.44 178.82 8xia n LEU 384 N -4.59 0.12 -1.47 2.25 4.77 -0.57 -4.92 117.00 112.59 8xia n LEU 384 Ca 0.12 0.20 -0.10 0.00 -0.03 0.00 0.00 56.01 56.20 8xia n LEU 384 Cb 0.14 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 41.00 8xia n LEU 384 CO 0.32 0.02 0.01 0.61 -1.33 0.00 0.00 177.39 177.02 8xia n GLY 385 N 1.27 0.17 1.36 -0.72 0.00 -0.64 -4.89 105.19 101.75 8xia n GLY 385 Ca 0.15 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 8xia n GLY 385 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8xia n ALA 386 N -2.62 4.49 -0.78 4.61 0.00 0.13 -5.04 120.51 121.31 8xia n ALA 386 Ca -0.05 -3.05 0.00 0.00 0.00 0.00 0.00 53.44 50.34 8xia n ALA 386 Cb 0.55 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.13 8xia n ALA 386 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37