#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xya n TYR 2 N 0.00 -2.43 -2.95 7.33 4.02 -1.26 -4.93 117.16 116.94 1xya n TYR 2 Ca 0.00 1.02 -0.41 0.00 -0.01 0.00 0.00 57.90 58.50 1xya n TYR 2 Cb 0.00 -1.85 -0.04 0.00 -0.02 0.00 0.00 39.34 37.43 1xya n TYR 2 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1xya s GLN 3 N -2.83 4.40 0.01 -0.72 2.00 -1.26 -4.70 119.66 116.55 1xya s GLN 3 Ca 0.30 0.99 -0.30 0.00 -2.00 0.00 0.00 55.36 54.34 1xya s GLN 3 Cb -0.03 -3.50 -0.07 0.00 0.80 0.00 0.00 33.01 30.22 1xya s GLN 3 CO 0.84 -0.10 1.56 -1.25 -0.50 0.00 0.00 175.29 175.84 1xya s PRO 4 N 1.33 4.22 0.07 1.67 0.04 -1.26 -5.05 135.00 136.02 1xya s PRO 4 Ca 0.39 2.16 0.04 0.00 0.04 0.00 0.00 61.00 63.64 1xya s PRO 4 Cb -0.18 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 1xya s PRO 4 CO 0.17 -0.71 -0.03 0.95 0.04 0.00 0.00 177.00 177.43 1xya s THR 5 N 2.89 3.88 0.01 1.26 -4.23 -1.26 -4.56 115.64 113.63 1xya s THR 5 Ca 0.70 -0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 60.26 1xya s THR 5 Cb -0.35 -2.80 0.01 0.00 1.34 0.00 0.00 72.50 70.70 1xya s THR 5 CO 0.29 0.20 0.07 -2.65 -0.54 0.00 0.00 174.62 171.99 1xya n PRO 6 N 0.86 -0.01 0.18 3.99 -0.02 -1.26 -0.62 135.00 138.11 1xya n PRO 6 Ca -0.12 0.07 0.13 0.00 -2.02 0.00 0.00 63.50 61.56 1xya n PRO 6 Cb 0.52 -0.10 0.61 0.00 -0.02 0.00 0.00 33.50 34.51 1xya n PRO 6 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xya h GLU 7 N 0.00 0.00 0.00 -0.52 4.39 -1.96 -2.25 114.58 114.24 1xya h GLU 7 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1xya h GLU 7 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1xya h GLU 7 CO -0.04 0.00 0.00 -0.44 -1.16 0.00 0.00 179.01 177.37 1xya h ASP 8 N 0.00 0.00 -2.59 1.42 3.32 -1.25 -3.47 116.42 113.84 1xya h ASP 8 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 1xya h ASP 8 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1xya h ASP 8 CO 0.00 0.00 -0.43 0.54 -1.72 0.00 0.00 179.24 177.63 1xya n ARG 9 N -2.41 -1.82 -2.52 3.56 3.00 -0.85 -4.60 116.66 111.02 1xya n ARG 9 Ca 0.03 0.78 -0.42 0.00 -0.01 0.00 0.00 57.85 58.23 1xya n ARG 9 Cb 0.32 -5.20 -0.03 0.00 0.00 0.00 0.00 32.46 27.55 1xya n ARG 9 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1xya s PHE 10 N -2.86 3.35 0.14 -1.55 0.08 -1.26 -0.66 117.98 115.22 1xya s PHE 10 Ca 0.05 1.35 0.04 0.00 0.12 0.00 0.00 56.93 58.49 1xya s PHE 10 Cb -0.02 -3.34 -0.04 0.00 -0.57 0.00 0.00 43.02 39.04 1xya s PHE 10 CO 0.06 -0.96 -0.10 0.95 -0.10 0.00 0.00 175.22 175.07 1xya s THR 11 N 1.82 1.14 0.01 0.64 -4.23 -0.61 0.60 115.64 115.02 1xya s THR 11 Ca 0.55 -2.05 -0.02 0.00 -1.18 0.00 0.00 61.69 58.98 1xya s THR 11 Cb -0.24 -1.84 -0.01 0.00 1.34 0.00 0.00 72.50 71.75 1xya s THR 11 CO 0.23 -0.75 0.03 -0.36 -0.54 0.00 0.00 174.62 173.23 1xya s PHE 12 N -3.34 0.19 0.45 3.99 0.40 -1.03 -1.25 117.98 117.38 1xya s PHE 12 Ca 0.16 -0.40 -0.16 0.00 -0.60 0.00 0.00 56.93 55.93 1xya s PHE 12 Cb 0.03 -0.14 -0.09 0.00 0.51 0.00 0.00 43.02 43.33 1xya s PHE 12 CO 0.00 -0.22 0.91 0.20 0.70 0.00 0.00 175.22 176.81 1xya s GLY 13 N -1.44 2.16 0.44 4.36 0.00 -1.24 -1.32 107.32 110.28 1xya s GLY 13 Ca -0.16 0.15 0.10 0.00 0.00 0.00 0.00 44.72 44.82 1xya s GLY 13 CO -0.00 0.41 2.07 1.41 0.00 0.00 0.00 173.10 176.98 1xya h LEU 14 N 1.38 0.27 0.00 0.66 3.38 -1.54 -2.72 115.31 116.75 1xya h LEU 14 Ca -0.48 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1xya h LEU 14 Cb 1.18 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1xya h LEU 14 CO 0.62 0.23 0.00 -2.67 0.09 0.00 0.00 178.44 176.72 1xya n TRP 15 N -4.46 0.00 -0.00 1.13 2.14 -1.26 -2.48 117.44 112.50 1xya n TRP 15 Ca 0.00 0.00 -0.00 0.00 2.07 0.00 0.00 57.50 59.57 1xya n TRP 15 Cb 0.10 -0.42 -0.00 0.00 -0.81 0.00 0.00 31.31 30.18 1xya n TRP 15 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 1xya h THR 16 N 0.00 0.00 0.00 -1.67 1.35 -1.68 -2.77 112.91 108.14 1xya h THR 16 Ca 0.00 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 1xya h THR 16 Cb 0.40 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.82 1xya h THR 16 CO 0.00 0.00 -0.07 -0.37 -0.25 0.00 0.00 175.52 174.83 1xya h VAL 17 N -0.08 0.31 -0.00 6.82 -1.51 -1.74 -2.25 116.25 117.80 1xya h VAL 17 Ca 0.00 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 1xya h VAL 17 Cb 0.01 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1xya h VAL 17 CO 0.00 0.07 -0.06 0.61 -1.23 0.00 0.00 177.57 176.95 1xya n GLY 18 N -0.60 -0.99 3.67 5.19 0.00 -1.03 -4.87 105.19 106.56 1xya n GLY 18 Ca -0.01 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1xya n GLY 18 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1xya n TRP 19 N -0.99 2.51 1.60 1.61 -0.00 -0.85 -4.59 117.44 116.73 1xya n TRP 19 Ca 0.16 -0.25 0.15 0.00 -0.00 0.00 0.00 57.50 57.56 1xya n TRP 19 Cb 0.25 -2.76 0.81 0.00 -0.00 0.00 0.00 31.31 29.60 1xya n TRP 19 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 1xya n GLN 20 N 6.84 0.63 -0.09 5.87 6.02 -1.26 -4.89 117.38 130.51 1xya n GLN 20 Ca 0.20 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1xya n GLN 20 Cb 0.38 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1xya n GLN 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xya n GLY 21 N 1.20 0.51 3.71 1.08 0.00 -1.26 -0.66 105.19 109.76 1xya n GLY 21 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1xya n GLY 21 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xya s ARG 22 N -0.89 4.36 0.41 1.61 6.06 -1.26 -4.41 118.95 124.83 1xya s ARG 22 Ca 0.00 1.90 0.04 0.00 -2.50 0.00 0.00 55.73 55.17 1xya s ARG 22 Cb 0.00 -3.38 -0.02 0.00 0.06 0.00 0.00 34.95 31.60 1xya s ARG 22 CO 0.00 -0.40 0.15 0.16 -2.50 0.00 0.00 175.30 172.71 1xya s ASP 23 N 1.29 2.72 0.57 -2.12 1.47 -1.02 -4.95 116.67 114.63 1xya s ASP 23 Ca 0.61 -1.71 0.26 0.00 1.18 0.00 0.00 52.55 52.90 1xya s ASP 23 Cb -0.32 0.55 1.59 0.00 -0.34 0.00 0.00 42.92 44.40 1xya s ASP 23 CO 0.28 -0.97 2.12 1.55 0.68 0.00 0.00 175.17 178.83 1xya h PRO 24 N 1.80 0.00 -0.34 2.11 0.13 -2.02 -2.80 132.00 130.88 1xya h PRO 24 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1xya h PRO 24 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1xya h PRO 24 CO 0.54 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.50 1xya n PHE 25 N -4.00 0.97 -3.50 1.56 3.72 -1.26 -5.05 117.46 109.90 1xya n PHE 25 Ca 0.01 -0.75 -0.11 0.00 -0.05 0.00 0.00 57.45 56.55 1xya n PHE 25 Cb 0.29 -0.26 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 1xya n PHE 25 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1xya s GLY 26 N -1.53 -0.49 0.62 1.37 0.00 -1.06 -5.16 107.32 101.07 1xya s GLY 26 Ca 0.40 1.12 -0.08 0.00 0.00 0.00 0.00 44.72 46.16 1xya s GLY 26 CO 0.12 0.52 0.96 0.99 0.00 0.00 0.00 173.10 175.70 1xya s ASP 27 N -2.08 5.63 0.26 1.64 1.01 -1.26 -2.43 116.67 119.45 1xya s ASP 27 Ca -0.00 0.89 -0.30 0.00 0.71 0.00 0.00 52.55 53.85 1xya s ASP 27 Cb -0.01 -1.85 -0.13 0.00 1.01 0.00 0.00 42.92 41.94 1xya s ASP 27 CO -0.05 -1.10 1.31 0.00 0.21 0.00 0.00 175.17 175.54 1xya n ALA 28 N -2.69 0.80 0.81 5.23 0.00 -1.26 -4.27 120.51 119.13 1xya n ALA 28 Ca 0.05 0.40 0.08 0.00 0.00 0.00 0.00 53.44 53.97 1xya n ALA 28 Cb 0.57 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.71 1xya n ALA 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xya n THR 29 N 1.31 0.00 -4.19 0.00 -2.24 0.17 -4.88 114.28 104.45 1xya n THR 29 Ca 0.10 -0.10 -0.19 0.00 -2.27 0.00 0.00 64.05 61.60 1xya n THR 29 Cb 0.32 1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 69.43 1xya n THR 29 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xya s ARG 30 N -2.61 0.83 0.65 -0.78 0.52 -0.86 -4.98 118.95 111.73 1xya s ARG 30 Ca 0.07 -0.94 -0.18 0.00 -0.52 0.00 0.00 55.73 54.16 1xya s ARG 30 Cb 0.13 -0.85 -0.01 0.00 0.52 0.00 0.00 34.95 34.74 1xya s ARG 30 CO 0.70 0.19 1.24 -1.25 0.02 0.00 0.00 175.30 176.20 1xya s PRO 31 N -1.69 2.61 0.41 3.54 0.04 -1.26 -4.72 135.00 133.93 1xya s PRO 31 Ca -0.01 1.90 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 1xya s PRO 31 Cb -0.10 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 1xya s PRO 31 CO 0.02 -1.51 1.33 0.00 0.04 0.00 0.00 177.00 176.89 1xya s ALA 32 N -1.62 3.28 -0.03 8.56 0.00 -1.26 -4.84 121.76 125.86 1xya s ALA 32 Ca 0.79 1.29 -0.15 0.00 0.00 0.00 0.00 51.96 53.89 1xya s ALA 32 Cb -0.33 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 1xya s ALA 32 CO 0.39 -0.90 0.40 -0.51 0.00 0.00 0.00 175.76 175.14 1xya s LEU 33 N -2.44 4.44 0.14 0.00 1.43 -1.26 -5.08 118.68 115.91 1xya s LEU 33 Ca 0.57 0.90 -0.31 0.00 -1.03 0.00 0.00 54.13 54.26 1xya s LEU 33 Cb -0.40 -2.57 -0.08 0.00 0.03 0.00 0.00 46.19 43.18 1xya s LEU 33 CO 0.51 0.28 1.36 -0.62 0.23 0.00 0.00 176.35 178.11 1xya s ASP 34 N -0.78 6.85 0.33 2.29 -1.08 -1.26 -4.95 116.67 118.06 1xya s ASP 34 Ca 0.23 2.34 0.08 0.00 -0.52 0.00 0.00 52.55 54.68 1xya s ASP 34 Cb -0.16 -2.59 0.78 0.00 -1.46 0.00 0.00 42.92 39.49 1xya s ASP 34 CO 0.12 -0.61 1.83 -0.65 0.52 0.00 0.00 175.17 176.38 1xya h PRO 35 N 6.35 0.71 -0.25 4.34 0.11 -1.97 -2.15 132.00 139.14 1xya h PRO 35 Ca -0.43 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 1xya h PRO 35 Cb 1.21 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1xya h PRO 35 CO 0.83 0.47 -0.58 -0.39 -0.21 0.00 0.00 178.00 178.12 1xya h VAL 36 N 0.73 1.28 -0.98 3.15 -1.51 -1.92 -1.50 116.25 115.51 1xya h VAL 36 Ca 0.51 -1.78 0.03 0.00 -1.23 0.00 0.00 66.70 64.23 1xya h VAL 36 Cb 0.81 1.70 -0.05 0.00 -2.13 0.00 0.00 31.29 31.62 1xya h VAL 36 CO -0.27 0.57 0.65 -0.08 -1.23 0.00 0.00 177.57 177.21 1xya h GLU 37 N 0.61 1.23 -0.19 5.19 4.57 -1.88 -1.65 114.58 122.47 1xya h GLU 37 Ca 0.00 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1xya h GLU 37 Cb 1.18 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 1xya h GLU 37 CO 0.12 0.82 0.10 1.15 -1.18 0.00 0.00 179.01 180.02 1xya h THR 38 N 1.27 1.00 -0.33 0.32 2.02 -1.08 0.05 112.91 116.15 1xya h THR 38 Ca 0.38 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.53 1xya h THR 38 Cb -0.05 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1xya h THR 38 CO -0.11 0.04 0.11 0.58 0.37 0.00 0.00 175.52 176.51 1xya h VAL 39 N 0.21 0.90 -0.22 3.16 2.07 -0.90 -0.78 116.25 120.69 1xya h VAL 39 Ca 0.08 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1xya h VAL 39 Cb 0.01 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1xya h VAL 39 CO -0.05 0.05 0.13 1.56 0.02 0.00 0.00 177.57 179.27 1xya h GLN 40 N 0.25 0.26 -0.24 1.57 1.08 -1.06 -0.94 115.11 116.03 1xya h GLN 40 Ca 0.15 -0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 57.20 1xya h GLN 40 Cb 0.12 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1xya h GLN 40 CO -0.15 0.17 -0.42 0.00 -0.95 0.00 0.00 178.83 177.47 1xya h ARG 41 N 0.27 0.59 -0.17 1.46 2.47 -0.83 -2.00 114.38 116.17 1xya h ARG 41 Ca 0.09 -0.31 -0.19 0.00 -1.26 0.00 0.00 59.98 58.31 1xya h ARG 41 Cb -0.01 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1xya h ARG 41 CO -0.04 0.90 -0.66 -0.07 0.56 0.00 0.00 179.97 180.66 1xya h LEU 42 N 0.48 0.75 -0.82 3.04 3.38 -1.04 -2.34 115.31 118.77 1xya h LEU 42 Ca 0.04 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.61 1xya h LEU 42 Cb 0.93 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1xya h LEU 42 CO 0.08 1.21 0.51 0.00 0.09 0.00 0.00 178.44 180.34 1xya h ALA 43 N 0.78 1.10 -0.91 1.53 0.00 -1.05 -2.14 119.26 118.57 1xya h ALA 43 Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1xya h ALA 43 Cb 1.25 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1xya h ALA 43 CO 0.13 0.27 0.59 0.93 0.00 0.00 0.00 179.25 181.17 1xya h GLU 44 N 0.95 1.10 0.00 0.00 5.08 -1.23 -2.42 114.58 118.06 1xya h GLU 44 Ca 0.35 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1xya h GLU 44 Cb 0.11 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1xya h GLU 44 CO -0.15 0.73 0.00 1.28 -1.00 0.00 0.00 179.01 179.87 1xya n LEU 45 N -4.52 0.00 0.00 1.33 4.32 -0.89 -4.89 117.00 112.35 1xya n LEU 45 Ca 0.12 0.46 0.00 0.00 -0.02 0.00 0.00 56.01 56.57 1xya n LEU 45 Cb 0.10 -0.46 0.00 0.00 -1.62 0.00 0.00 43.42 41.44 1xya n LEU 45 CO 0.34 -0.22 0.00 0.61 -1.22 0.00 0.00 177.39 176.90 1xya n GLY 46 N 0.07 0.95 3.77 -0.72 0.00 -0.91 -4.69 105.19 103.66 1xya n GLY 46 Ca 0.04 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1xya n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xya s ALA 47 N -2.00 3.03 -0.23 4.61 0.00 -0.85 -4.18 121.76 122.13 1xya s ALA 47 Ca 0.00 0.97 0.22 0.00 0.00 0.00 0.00 51.96 53.15 1xya s ALA 47 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1xya s ALA 47 CO 0.00 -0.65 0.99 1.58 0.00 0.00 0.00 175.76 177.68 1xya n HIS 48 N -0.33 0.86 -3.80 0.00 -0.00 0.20 -4.59 115.22 107.56 1xya n HIS 48 Ca 0.06 0.25 -0.01 0.00 0.46 0.00 0.00 57.72 58.48 1xya n HIS 48 Cb 0.47 -0.90 0.00 0.00 -0.12 0.00 0.00 29.99 29.45 1xya n HIS 48 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1xya s GLY 49 N -4.35 -0.14 0.13 1.57 0.00 -1.17 -2.56 107.32 100.79 1xya s GLY 49 Ca -0.01 0.09 0.06 0.00 0.00 0.00 0.00 44.72 44.85 1xya s GLY 49 CO 0.80 1.54 -0.13 -1.34 0.00 0.00 0.00 173.10 173.96 1xya s VAL 50 N -2.55 1.29 0.28 1.40 -7.23 -0.50 -2.47 120.40 110.62 1xya s VAL 50 Ca 0.18 -1.77 0.05 0.00 -1.81 0.00 0.00 61.98 58.64 1xya s VAL 50 Cb -0.00 -1.57 -0.06 0.00 0.56 0.00 0.00 36.38 35.31 1xya s VAL 50 CO 0.02 -0.47 -0.01 0.42 -0.31 0.00 0.00 175.10 174.74 1xya s THR 51 N -2.33 1.39 0.03 5.32 -4.23 -0.43 -3.93 115.64 111.45 1xya s THR 51 Ca 0.10 -2.06 -0.23 0.00 -1.18 0.00 0.00 61.69 58.31 1xya s THR 51 Cb -0.04 -2.54 0.05 0.00 1.34 0.00 0.00 72.50 71.32 1xya s THR 51 CO 0.03 -0.21 0.54 0.72 -0.54 0.00 0.00 174.62 175.15 1xya s PHE 52 N -3.18 -0.45 0.16 3.99 -0.71 -1.25 -1.17 117.98 115.37 1xya s PHE 52 Ca 0.31 0.55 -0.11 0.00 -1.04 0.00 0.00 56.93 56.65 1xya s PHE 52 Cb 0.06 0.35 -0.07 0.00 -1.21 0.00 0.00 43.02 42.15 1xya s PHE 52 CO 0.12 -0.64 0.50 -1.01 -1.34 0.00 0.00 175.22 172.86 1xya s HIS 53 N -2.26 3.53 0.26 3.49 3.76 -1.26 -1.18 115.29 121.63 1xya s HIS 53 Ca -0.06 0.90 -0.03 0.00 -0.15 0.00 0.00 55.06 55.72 1xya s HIS 53 Cb -0.01 -2.26 0.55 0.00 1.11 0.00 0.00 32.58 31.97 1xya s HIS 53 CO -0.00 0.39 1.67 0.38 -0.85 0.00 0.00 174.74 176.33 1xya h ASP 54 N 3.17 0.01 0.62 1.40 2.03 -1.72 -1.56 116.42 120.38 1xya h ASP 54 Ca -0.48 0.16 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 1xya h ASP 54 Cb 1.18 0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.90 1xya h ASP 54 CO 0.68 -0.08 0.00 0.47 -1.03 0.00 0.00 179.24 179.28 1xya n ASP 55 N -5.18 0.00 -0.06 4.15 8.00 -1.26 -1.30 116.55 120.90 1xya n ASP 55 Ca 0.17 0.20 -0.15 0.00 0.71 0.00 0.00 54.79 55.72 1xya n ASP 55 Cb 0.54 -0.39 -0.05 0.00 -0.02 0.00 0.00 41.12 41.20 1xya n ASP 55 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1xya h ASP 56 N 0.00 0.93 0.03 -2.24 3.32 -1.68 -3.38 116.42 113.39 1xya h ASP 56 Ca 0.00 -0.56 -0.11 0.00 0.02 0.00 0.00 57.03 56.38 1xya h ASP 56 Cb 0.31 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1xya h ASP 56 CO 0.00 1.32 -0.56 0.25 -1.72 0.00 0.00 179.24 178.53 1xya h LEU 57 N 0.58 0.10 -8.07 1.55 5.85 -1.36 -3.45 115.31 110.51 1xya h LEU 57 Ca -0.00 -0.86 -0.67 0.00 0.84 0.00 0.00 57.88 57.19 1xya h LEU 57 Cb 1.19 -0.03 -0.34 0.00 0.37 0.00 0.00 40.66 41.84 1xya h LEU 57 CO 0.13 1.24 -0.82 -0.63 -0.34 0.00 0.00 178.44 178.01 1xya s ILE 58 N -2.31 2.30 0.17 4.05 1.09 -0.42 -4.87 121.20 121.21 1xya s ILE 58 Ca -0.21 -1.02 -0.34 0.00 -1.10 0.00 0.00 60.65 57.99 1xya s ILE 58 Cb 0.00 -2.06 -0.14 0.00 -1.06 0.00 0.00 42.46 39.20 1xya s ILE 58 CO 0.69 0.40 1.47 -2.65 -0.10 0.00 0.00 174.94 174.75 1xya n PRO 59 N 4.61 1.88 -1.68 2.79 -0.02 -1.26 -4.03 135.00 137.30 1xya n PRO 59 Ca -0.19 0.68 -0.45 0.00 -2.02 0.00 0.00 63.50 61.52 1xya n PRO 59 Cb 0.48 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 1xya n PRO 59 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xya n PHE 60 N 2.77 2.44 0.00 6.00 -0.00 -1.26 -1.57 117.46 125.84 1xya n PHE 60 Ca 0.16 -0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.58 1xya n PHE 60 Cb 0.27 -2.68 0.00 0.00 -0.00 0.00 0.00 39.48 37.08 1xya n PHE 60 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xya n GLY 61 N 4.13 0.29 3.71 7.13 0.00 -1.26 -5.07 105.19 114.13 1xya n GLY 61 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1xya n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xya s SER 62 N -2.03 6.65 1.10 1.61 0.01 -0.61 -5.00 113.70 115.43 1xya s SER 62 Ca 0.00 2.53 -0.12 0.00 1.31 0.00 0.00 55.95 59.67 1xya s SER 62 Cb 0.00 -2.59 0.25 0.00 0.21 0.00 0.00 66.02 63.89 1xya s SER 62 CO 0.00 -0.79 1.05 -0.94 0.41 0.00 0.00 173.24 172.97 1xya s SER 63 N 1.25 1.49 0.00 2.44 1.04 -1.26 -4.71 113.70 113.95 1xya s SER 63 Ca 0.69 1.60 0.08 0.00 0.48 0.00 0.00 55.95 58.80 1xya s SER 63 Cb -0.42 -2.31 0.35 0.00 0.10 0.00 0.00 66.02 63.75 1xya s SER 63 CO 0.31 -3.90 1.26 0.47 0.98 0.00 0.00 173.24 172.37 1xya n ASP 64 N -4.72 0.00 0.01 7.02 9.92 -1.26 -1.56 116.55 125.97 1xya n ASP 64 Ca 0.05 0.49 -0.21 0.00 -0.53 0.00 0.00 54.79 54.59 1xya n ASP 64 Cb 0.54 -0.50 -0.14 0.00 -0.64 0.00 0.00 41.12 40.39 1xya n ASP 64 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1xya h THR 65 N 0.00 1.08 -0.00 -3.53 2.02 -1.99 -3.00 112.91 107.49 1xya h THR 65 Ca 0.00 -2.41 -0.12 0.00 0.77 0.00 0.00 66.41 64.65 1xya h THR 65 Cb 0.14 2.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 1xya h THR 65 CO 0.00 0.70 -0.55 -0.33 0.37 0.00 0.00 175.52 175.71 1xya h GLU 66 N -0.31 0.01 0.06 6.66 3.07 -1.74 -2.35 114.58 119.98 1xya h GLU 66 Ca -0.29 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.58 1xya h GLU 66 Cb 1.75 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.64 1xya h GLU 66 CO 0.07 0.56 -0.11 -0.09 -1.40 0.00 0.00 179.01 178.03 1xya h ARG 67 N 0.01 -0.21 -0.38 2.33 2.43 -1.43 -0.77 114.38 116.35 1xya h ARG 67 Ca -0.01 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1xya h ARG 67 Cb 0.97 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.48 1xya h ARG 67 CO 0.07 -0.14 -0.39 1.49 -1.51 0.00 0.00 179.97 179.49 1xya h GLU 68 N -0.22 -0.31 -0.94 0.20 4.81 -1.34 -1.14 114.58 115.65 1xya h GLU 68 Ca 0.02 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1xya h GLU 68 Cb 0.24 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 1xya h GLU 68 CO -0.07 -0.20 0.62 1.03 -0.73 0.00 0.00 179.01 179.65 1xya h SER 69 N -0.32 1.05 -0.17 1.04 0.87 -1.27 -0.88 113.55 113.87 1xya h SER 69 Ca 0.14 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1xya h SER 69 Cb 0.57 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1xya h SER 69 CO -0.55 0.74 -0.02 0.45 -0.53 0.00 0.00 176.83 176.92 1xya h HIS 70 N 1.23 0.34 -0.74 2.24 3.86 -0.52 -1.85 115.15 119.72 1xya h HIS 70 Ca 0.36 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.44 1xya h HIS 70 Cb -0.07 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 1xya h HIS 70 CO -0.01 0.55 0.21 0.82 0.86 0.00 0.00 177.93 180.36 1xya h ILE 71 N 0.03 1.26 -0.03 2.45 2.04 -1.09 -2.49 117.51 119.69 1xya h ILE 71 Ca 0.04 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 1xya h ILE 71 Cb 0.43 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1xya h ILE 71 CO 0.01 0.37 0.01 0.50 0.00 0.00 0.00 178.15 179.05 1xya h LYS 72 N 1.10 0.04 -0.67 2.37 3.64 -1.11 -0.10 116.57 121.83 1xya h LYS 72 Ca 0.23 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1xya h LYS 72 Cb 0.34 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1xya h LYS 72 CO -0.00 0.10 0.40 0.00 -2.27 0.00 0.00 179.45 177.68 1xya h ARG 73 N -0.04 0.91 0.14 1.90 3.08 -1.27 -1.97 114.38 117.13 1xya h ARG 73 Ca 0.01 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1xya h ARG 73 Cb 0.08 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1xya h ARG 73 CO -0.00 0.66 -0.07 0.35 -1.07 0.00 0.00 179.97 179.84 1xya h PHE 74 N 0.91 -0.17 -0.23 3.04 3.57 -1.36 -2.51 116.94 120.18 1xya h PHE 74 Ca 0.24 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.76 1xya h PHE 74 Cb -0.02 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1xya h PHE 74 CO -0.01 0.06 0.16 -0.09 -2.23 0.00 0.00 178.31 176.19 1xya h ARG 75 N -0.38 0.20 -0.69 1.11 2.43 -0.92 -1.18 114.38 114.94 1xya h ARG 75 Ca -0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1xya h ARG 75 Cb 0.30 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1xya h ARG 75 CO 0.03 0.13 0.36 0.37 -1.51 0.00 0.00 179.97 179.35 1xya h GLN 76 N 0.20 0.99 -0.29 0.20 4.15 -1.03 -0.02 115.11 119.30 1xya h GLN 76 Ca 0.10 -0.13 -0.12 0.00 0.77 0.00 0.00 58.65 59.27 1xya h GLN 76 Cb 0.14 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1xya h GLN 76 CO -0.02 0.76 -0.31 0.00 -1.93 0.00 0.00 178.83 177.34 1xya h ALA 77 N 1.17 0.92 -0.05 3.38 0.00 -0.81 -1.28 119.26 122.58 1xya h ALA 77 Ca 0.24 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1xya h ALA 77 Cb 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xya h ALA 77 CO -0.03 0.62 -0.01 -0.07 0.00 0.00 0.00 179.25 179.75 1xya h LEU 78 N 0.53 0.09 -0.56 0.00 3.38 -1.08 -2.08 115.31 115.60 1xya h LEU 78 Ca 0.06 -0.36 0.11 0.00 0.09 0.00 0.00 57.88 57.78 1xya h LEU 78 Cb 0.79 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.42 1xya h LEU 78 CO 0.06 0.44 -0.04 0.44 0.09 0.00 0.00 178.44 179.43 1xya h ASP 79 N -0.25 -0.33 0.45 -0.43 3.32 -0.91 0.03 116.42 118.30 1xya h ASP 79 Ca 0.01 0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 1xya h ASP 79 Cb 0.39 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1xya h ASP 79 CO 0.00 -0.13 -0.25 0.00 -1.72 0.00 0.00 179.24 177.15 1xya h ALA 80 N 1.52 1.30 0.00 3.45 0.00 -1.09 -3.30 119.26 121.15 1xya h ALA 80 Ca 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xya h ALA 80 Cb 0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xya h ALA 80 CO -0.51 0.32 -1.83 0.25 0.00 0.00 0.00 179.25 177.48 1xya n THR 81 N -3.83 0.01 -0.93 0.00 -2.24 -0.59 -4.97 114.28 101.73 1xya n THR 81 Ca -0.02 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1xya n THR 81 Cb 0.35 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1xya n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xya n GLY 82 N 1.48 0.55 3.76 3.38 0.00 -0.11 -5.03 105.19 109.23 1xya n GLY 82 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1xya n GLY 82 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xya s MET 83 N -0.07 3.59 0.37 1.61 -1.94 -1.18 -5.00 119.30 116.69 1xya s MET 83 Ca 0.00 2.16 0.08 0.00 -1.71 0.00 0.00 55.69 56.22 1xya s MET 83 Cb 0.00 -2.50 -0.03 0.00 2.01 0.00 0.00 34.83 34.31 1xya s MET 83 CO 0.00 -0.80 0.31 0.95 -0.01 0.00 0.00 175.02 175.47 1xya s THR 84 N -1.32 3.08 -0.41 2.05 -4.23 -1.06 -4.75 115.64 109.01 1xya s THR 84 Ca 0.64 -1.40 0.02 0.00 -1.18 0.00 0.00 61.69 59.78 1xya s THR 84 Cb -0.38 -3.08 0.12 0.00 1.34 0.00 0.00 72.50 70.49 1xya s THR 84 CO 0.47 -0.10 0.16 -0.69 -0.54 0.00 0.00 174.62 173.93 1xya s VAL 85 N -2.40 1.81 -0.24 2.29 1.01 -1.26 -1.42 120.40 120.20 1xya s VAL 85 Ca 0.44 -2.45 0.20 0.00 0.00 0.00 0.00 61.98 60.17 1xya s VAL 85 Cb -0.04 -2.30 0.21 0.00 0.00 0.00 0.00 36.38 34.25 1xya s VAL 85 CO 0.27 -0.75 1.57 -0.65 0.00 0.00 0.00 175.10 175.54 1xya h PRO 86 N 7.19 0.00 -2.38 2.72 0.11 -1.84 -2.60 132.00 135.19 1xya h PRO 86 Ca -0.06 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 1xya h PRO 86 Cb 0.96 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.88 1xya h PRO 86 CO 0.54 0.24 0.02 1.41 -0.21 0.00 0.00 178.00 180.00 1xya s MET 87 N -3.15 0.91 0.14 1.05 -2.45 -1.26 -1.97 119.30 112.57 1xya s MET 87 Ca 0.05 0.11 -0.03 0.00 -1.25 0.00 0.00 55.69 54.56 1xya s MET 87 Cb 0.07 0.42 -0.03 0.00 1.25 0.00 0.00 34.83 36.54 1xya s MET 87 CO 0.70 -0.27 0.13 0.00 1.05 0.00 0.00 175.02 176.62 1xya s ALA 88 N -1.21 0.61 0.26 4.11 0.00 -1.10 -3.87 121.76 120.56 1xya s ALA 88 Ca -0.12 -1.30 -0.12 0.00 0.00 0.00 0.00 51.96 50.42 1xya s ALA 88 Cb -0.02 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 23.98 1xya s ALA 88 CO 0.08 -0.54 0.50 -0.08 0.00 0.00 0.00 175.76 175.71 1xya s THR 89 N -4.03 0.00 0.01 0.00 -1.32 -0.33 -1.47 115.64 108.50 1xya s THR 89 Ca 0.22 -1.40 0.04 0.00 -1.21 0.00 0.00 61.69 59.35 1xya s THR 89 Cb 0.06 -2.28 -0.03 0.00 -1.51 0.00 0.00 72.50 68.74 1xya s THR 89 CO 0.02 0.00 -0.11 -0.89 -2.21 0.00 0.00 174.62 171.43 1xya s THR 90 N -3.84 3.35 -0.56 5.08 2.01 -1.26 -1.91 115.64 118.52 1xya s THR 90 Ca 0.23 -0.88 -0.23 0.00 0.31 0.00 0.00 61.69 61.12 1xya s THR 90 Cb -0.01 -2.43 0.05 0.00 0.01 0.00 0.00 72.50 70.12 1xya s THR 90 CO 0.10 0.40 0.87 0.21 -0.69 0.00 0.00 174.62 175.51 1xya s ASN 91 N -1.36 6.28 -0.32 3.53 3.84 -1.26 -4.85 114.94 120.80 1xya s ASN 91 Ca 0.16 -0.63 0.07 0.00 0.21 0.00 0.00 52.86 52.67 1xya s ASN 91 Cb -0.11 -2.40 0.46 0.00 -0.55 0.00 0.00 41.25 38.65 1xya s ASN 91 CO 0.06 -1.18 1.31 0.18 -2.79 0.00 0.00 177.10 174.68 1xya n LEU 92 N 7.17 4.89 0.00 3.21 4.77 -1.26 -4.72 117.00 131.06 1xya n LEU 92 Ca -0.02 -4.51 0.00 0.00 -0.03 0.00 0.00 56.01 51.46 1xya n LEU 92 Cb 0.46 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1xya n LEU 92 CO 0.61 1.87 0.00 2.22 -1.33 0.00 0.00 177.39 180.77 1xya n PHE 93 N -0.82 0.00 -0.03 -1.77 1.16 -1.26 -4.50 117.46 110.24 1xya n PHE 93 Ca 0.42 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.88 1xya n PHE 93 Cb 0.91 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.67 1xya n PHE 93 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1xya h THR 94 N 0.00 1.38 -3.87 1.97 2.02 -1.94 -3.46 112.91 109.01 1xya h THR 94 Ca 0.00 -1.70 -0.53 0.00 0.77 0.00 0.00 66.41 64.95 1xya h THR 94 Cb 0.00 2.46 0.08 0.00 -1.74 0.00 0.00 68.15 68.95 1xya h THR 94 CO 0.00 0.41 0.71 -2.28 0.37 0.00 0.00 175.52 174.72 1xya s HIS 95 N -2.95 2.86 0.60 3.16 2.46 -1.26 -4.91 115.29 115.25 1xya s HIS 95 Ca -0.16 1.29 0.29 0.00 0.47 0.00 0.00 55.06 56.95 1xya s HIS 95 Cb -0.01 -3.83 1.55 0.00 -0.13 0.00 0.00 32.58 30.16 1xya s HIS 95 CO 0.60 -2.38 1.95 -1.00 -2.47 0.00 0.00 174.74 171.43 1xya h PRO 96 N 3.34 0.00 0.00 2.88 0.13 -2.03 -1.68 132.00 134.65 1xya h PRO 96 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1xya h PRO 96 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1xya h PRO 96 CO 0.66 0.00 -0.00 -0.24 -0.23 0.00 0.00 178.00 178.18 1xya h VAL 97 N 0.00 0.75 -0.35 1.56 3.04 -1.97 -1.53 116.25 117.75 1xya h VAL 97 Ca 0.15 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.82 1xya h VAL 97 Cb 0.93 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 1xya h VAL 97 CO -0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.05 1xya n PHE 98 N -4.16 0.95 0.17 3.17 3.72 -0.63 -4.50 117.46 116.17 1xya n PHE 98 Ca -0.03 -0.36 0.17 0.00 -0.05 0.00 0.00 57.45 57.18 1xya n PHE 98 Cb 0.09 -0.22 0.78 0.00 -0.94 0.00 0.00 39.48 39.18 1xya n PHE 98 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1xya h LYS 99 N 2.26 0.00 -0.24 -1.08 2.10 -1.43 -1.13 116.57 117.05 1xya h LYS 99 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xya h LYS 99 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1xya h LYS 99 CO 0.18 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.16 1xya n ASP 100 N -3.99 3.13 0.00 7.07 2.03 -1.26 -5.04 116.55 118.49 1xya n ASP 100 Ca 0.03 -2.50 0.00 0.00 0.52 0.00 0.00 54.79 52.84 1xya n ASP 100 Cb 0.37 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1xya n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xya n GLY 101 N -0.19 2.20 0.00 0.27 0.00 -0.43 -3.74 105.19 103.30 1xya n GLY 101 Ca 0.14 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1xya n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xya n GLY 102 N -1.17 -0.05 0.25 -0.02 0.00 -1.26 -4.31 105.19 98.63 1xya n GLY 102 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1xya n GLY 102 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xya h PHE 103 N 0.00 0.00 0.00 1.61 0.04 -1.90 -3.18 116.94 113.52 1xya h PHE 103 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xya h PHE 103 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1xya h PHE 103 CO 0.00 0.17 -0.22 0.25 -0.60 0.00 0.00 178.31 177.91 1xya n THR 104 N -3.58 1.86 -1.71 -1.55 -2.24 -1.26 -4.48 114.28 101.32 1xya n THR 104 Ca -0.01 -2.46 -0.40 0.00 -2.27 0.00 0.00 64.05 58.91 1xya n THR 104 Cb 0.31 -0.17 0.02 0.00 -2.10 0.00 0.00 70.33 68.39 1xya n THR 104 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xya n ALA 105 N -1.22 1.33 0.11 6.98 0.00 -1.20 -4.81 120.51 121.70 1xya n ALA 105 Ca 0.16 0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.82 1xya n ALA 105 Cb 0.67 -2.28 0.35 0.00 0.00 0.00 0.00 19.45 18.19 1xya n ALA 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1xya h ASN 106 N 1.79 0.24 -3.00 0.00 2.35 -1.94 -3.42 115.58 111.59 1xya h ASN 106 Ca -0.49 -0.06 -0.57 0.00 -0.55 0.00 0.00 56.30 54.63 1xya h ASN 106 Cb 1.30 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 39.56 1xya h ASN 106 CO 0.58 0.44 0.84 -1.81 -1.65 0.00 0.00 177.43 175.83 1xya s ASP 107 N -6.87 7.03 0.29 5.81 1.01 -1.26 -4.93 116.67 117.75 1xya s ASP 107 Ca -0.05 1.54 0.00 0.00 0.71 0.00 0.00 52.55 54.75 1xya s ASP 107 Cb 0.15 -2.54 0.52 0.00 1.01 0.00 0.00 42.92 42.06 1xya s ASP 107 CO 0.74 -0.71 1.90 -0.09 0.21 0.00 0.00 175.17 177.22 1xya h ARG 108 N 7.80 1.01 -0.08 8.23 2.43 -2.00 -2.70 114.38 129.06 1xya h ARG 108 Ca -0.23 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 58.78 1xya h ARG 108 Cb 1.08 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1xya h ARG 108 CO 0.97 0.67 -0.38 0.38 -1.51 0.00 0.00 179.97 180.10 1xya h ASP 109 N 1.05 0.17 -0.01 -3.80 2.03 -1.96 -1.92 116.42 111.98 1xya h ASP 109 Ca 0.41 -0.06 -0.16 0.00 -0.73 0.00 0.00 57.03 56.49 1xya h ASP 109 Cb 0.24 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 38.68 1xya h ASP 109 CO -0.16 0.53 -0.51 0.58 -1.03 0.00 0.00 179.24 178.65 1xya h VAL 110 N 0.14 1.31 -0.59 4.15 2.07 -1.85 -1.59 116.25 119.89 1xya h VAL 110 Ca 0.01 -1.74 -0.05 0.00 0.82 0.00 0.00 66.70 65.74 1xya h VAL 110 Cb 0.74 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 1xya h VAL 110 CO 0.06 0.54 0.18 0.03 0.02 0.00 0.00 177.57 178.40 1xya h ARG 111 N 0.45 0.93 -0.42 1.57 3.08 -1.32 0.11 114.38 118.77 1xya h ARG 111 Ca 0.02 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1xya h ARG 111 Cb 1.05 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 1xya h ARG 111 CO 0.10 0.83 0.13 0.00 -1.07 0.00 0.00 179.97 179.95 1xya h ARG 112 N 0.84 0.66 -0.68 0.04 3.08 -1.18 -1.81 114.38 115.34 1xya h ARG 112 Ca 0.19 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1xya h ARG 112 Cb 0.29 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 1xya h ARG 112 CO -0.01 0.65 0.44 -0.92 -1.07 0.00 0.00 179.97 179.07 1xya h TYR 113 N 0.54 0.83 -0.57 3.04 3.20 -1.15 -1.07 116.97 121.79 1xya h TYR 113 Ca 0.14 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1xya h TYR 113 Cb 0.27 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1xya h TYR 113 CO 0.01 0.50 0.36 0.00 -1.64 0.00 0.00 178.16 177.40 1xya h ALA 114 N 1.26 0.72 -0.53 1.82 0.00 -0.48 -1.50 119.26 120.56 1xya h ALA 114 Ca 0.26 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1xya h ALA 114 Cb -0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1xya h ALA 114 CO -0.07 0.11 -0.04 -0.07 0.00 0.00 0.00 179.25 179.17 1xya h LEU 115 N 0.72 0.96 -0.53 0.00 3.38 -1.00 -2.15 115.31 116.68 1xya h LEU 115 Ca 0.22 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1xya h LEU 115 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1xya h LEU 115 CO -0.07 1.05 0.23 0.03 0.09 0.00 0.00 178.44 179.77 1xya h ARG 116 N 0.84 0.78 -0.72 1.13 2.47 -0.99 -1.63 114.38 116.26 1xya h ARG 116 Ca 0.14 -0.13 0.04 0.00 -1.26 0.00 0.00 59.98 58.78 1xya h ARG 116 Cb 0.59 -0.13 -0.05 0.00 -1.65 0.00 0.00 29.97 28.73 1xya h ARG 116 CO 0.04 0.67 0.44 -0.22 0.56 0.00 0.00 179.97 181.45 1xya h LYS 117 N 0.71 0.81 0.03 0.04 3.64 -1.25 -1.78 116.57 118.77 1xya h LYS 117 Ca 0.18 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1xya h LYS 117 Cb 0.17 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1xya h LYS 117 CO -0.02 0.54 -0.01 1.15 -2.27 0.00 0.00 179.45 178.84 1xya h THR 118 N 0.84 1.09 -0.87 1.00 2.02 -1.21 -3.07 112.91 112.71 1xya h THR 118 Ca 0.30 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1xya h THR 118 Cb 0.08 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1xya h THR 118 CO -0.14 0.10 0.46 0.40 0.37 0.00 0.00 175.52 176.71 1xya h ILE 119 N -0.20 1.26 -0.94 3.11 2.04 -1.15 -0.76 117.51 120.88 1xya h ILE 119 Ca -0.00 -0.66 0.09 0.00 1.00 0.00 0.00 64.86 65.28 1xya h ILE 119 Cb 0.18 0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.29 1xya h ILE 119 CO 0.01 0.30 0.60 -0.09 0.00 0.00 0.00 178.15 178.96 1xya h ARG 120 N 1.23 0.96 0.00 2.37 2.43 -1.33 -2.48 114.38 117.56 1xya h ARG 120 Ca 0.31 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.35 1xya h ARG 120 Cb 0.06 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1xya h ARG 120 CO -0.05 0.64 -0.49 -0.97 -1.51 0.00 0.00 179.97 177.59 1xya h ASN 121 N 0.99 0.00 -0.70 -3.80 -1.24 -1.17 -3.10 115.58 106.56 1xya h ASN 121 Ca 0.43 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.39 1xya h ASN 121 Cb 0.33 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.35 1xya h ASN 121 CO -0.18 0.30 0.25 0.40 -1.29 0.00 0.00 177.43 176.90 1xya h ILE 122 N 0.00 1.25 -0.42 2.57 2.04 -0.75 0.19 117.51 122.39 1xya h ILE 122 Ca -0.02 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1xya h ILE 122 Cb 1.25 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1xya h ILE 122 CO 0.04 0.33 0.23 0.44 0.00 0.00 0.00 178.15 179.19 1xya h ASP 123 N 1.02 0.52 -0.42 1.72 3.32 -1.44 -1.79 116.42 119.34 1xya h ASP 123 Ca 0.23 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1xya h ASP 123 Cb 0.26 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1xya h ASP 123 CO -0.01 0.45 -0.01 0.25 -1.72 0.00 0.00 179.24 178.20 1xya h LEU 124 N 0.54 0.73 -0.71 1.55 5.85 -1.44 -2.89 115.31 118.94 1xya h LEU 124 Ca 0.15 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1xya h LEU 124 Cb 0.05 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1xya h LEU 124 CO -0.02 0.87 0.45 0.00 -0.34 0.00 0.00 178.44 179.40 1xya h ALA 125 N 0.89 0.90 -0.66 1.25 0.00 -0.75 -2.13 119.26 118.76 1xya h ALA 125 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xya h ALA 125 Cb 0.50 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1xya h ALA 125 CO 0.02 0.34 0.32 0.28 0.00 0.00 0.00 179.25 180.22 1xya h VAL 126 N 0.96 1.22 0.00 0.00 2.07 -1.26 -1.12 116.25 118.12 1xya h VAL 126 Ca 0.26 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1xya h VAL 126 Cb -0.08 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1xya h VAL 126 CO -0.05 0.26 -0.25 1.05 0.02 0.00 0.00 177.57 178.60 1xya h GLU 127 N 0.91 0.00 -0.00 1.57 4.11 -1.26 -2.11 114.58 117.81 1xya h GLU 127 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1xya h GLU 127 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1xya h GLU 127 CO -0.03 0.25 -0.02 1.28 0.07 0.00 0.00 179.01 180.56 1xya n LEU 128 N -3.37 0.04 0.00 3.06 4.32 -0.83 -4.94 117.00 115.28 1xya n LEU 128 Ca 0.00 0.34 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 1xya n LEU 128 Cb 0.46 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 1xya n LEU 128 CO 0.34 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.13 1xya n GLY 129 N 1.37 0.97 3.74 -0.72 0.00 -0.79 -4.38 105.19 105.37 1xya n GLY 129 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1xya n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xya s ALA 130 N -2.00 3.47 -0.94 4.61 0.00 -0.48 -4.71 121.76 121.71 1xya s ALA 130 Ca 0.00 1.00 0.21 0.00 0.00 0.00 0.00 51.96 53.18 1xya s ALA 130 Cb 0.00 -3.44 -0.17 0.00 0.00 0.00 0.00 23.12 19.52 1xya s ALA 130 CO 0.00 -0.43 0.92 1.63 0.00 0.00 0.00 175.76 177.88 1xya n LYS 131 N 2.55 0.04 -4.34 0.00 4.76 -0.83 -4.53 118.16 115.80 1xya n LYS 131 Ca 0.05 -0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.27 1xya n LYS 131 Cb 0.44 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 31.97 1xya n LYS 131 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1xya s THR 132 N -3.03 0.73 -0.19 -0.18 2.01 -1.16 -1.36 115.64 112.46 1xya s THR 132 Ca 0.07 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.78 1xya s THR 132 Cb 0.16 -0.68 0.03 0.00 0.01 0.00 0.00 72.50 72.02 1xya s THR 132 CO 0.86 0.24 -0.18 -0.47 -0.69 0.00 0.00 174.62 174.38 1xya s TYR 133 N 0.40 2.81 0.02 4.92 5.04 0.65 -2.71 117.35 128.48 1xya s TYR 133 Ca -0.06 -1.73 -0.18 0.00 -2.44 0.00 0.00 57.07 52.66 1xya s TYR 133 Cb -0.10 -1.89 -0.06 0.00 0.35 0.00 0.00 41.96 40.25 1xya s TYR 133 CO 0.01 -0.81 0.51 0.08 -1.34 0.00 0.00 175.55 173.99 1xya s VAL 134 N 1.27 4.90 -0.23 3.14 1.01 -0.54 -1.13 120.40 128.82 1xya s VAL 134 Ca 0.02 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 1xya s VAL 134 Cb -0.14 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1xya s VAL 134 CO -0.11 0.53 -0.09 0.00 0.00 0.00 0.00 175.10 175.43 1xya s ALA 135 N -0.86 2.64 -0.32 5.51 0.00 -0.18 -4.21 121.76 124.33 1xya s ALA 135 Ca 0.27 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.87 1xya s ALA 135 Cb -0.18 -1.59 0.09 0.00 0.00 0.00 0.00 23.12 21.44 1xya s ALA 135 CO 0.16 -0.70 0.01 -0.46 0.00 0.00 0.00 175.76 174.78 1xya s TRP 136 N 1.33 3.60 -1.47 0.00 -0.00 -1.26 -1.04 118.94 120.09 1xya s TRP 136 Ca 0.01 -2.73 -0.13 0.00 -0.00 0.00 0.00 56.10 53.26 1xya s TRP 136 Cb -0.16 -2.64 0.03 0.00 -0.00 0.00 0.00 33.47 30.71 1xya s TRP 136 CO -0.06 -0.93 2.33 0.41 -0.00 0.00 0.00 176.95 178.71 1xya n GLY 137 N 4.34 4.43 0.26 5.86 0.00 -1.26 -4.73 105.19 114.09 1xya n GLY 137 Ca -0.02 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.45 1xya n GLY 137 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xya h GLY 138 N 9.25 0.04 -2.30 -0.02 0.00 -1.94 -2.23 103.07 105.87 1xya h GLY 138 Ca 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1xya h GLY 138 CO 1.85 0.01 0.00 0.54 0.00 0.00 0.00 176.54 178.94 1xya n ARG 139 N -4.53 2.51 -2.79 4.80 5.12 -1.26 -4.04 116.66 116.47 1xya n ARG 139 Ca -0.03 -2.29 -0.43 0.00 -1.93 0.00 0.00 57.85 53.17 1xya n ARG 139 Cb 0.09 -1.51 -0.04 0.00 -1.16 0.00 0.00 32.46 29.84 1xya n ARG 139 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1xya s GLU 140 N -1.48 3.53 0.00 5.56 0.41 -0.84 -3.10 118.70 122.77 1xya s GLU 140 Ca 0.38 0.16 0.00 0.00 -0.41 0.00 0.00 54.97 55.10 1xya s GLU 140 Cb 0.23 -3.94 0.00 0.00 -1.78 0.00 0.00 34.13 28.63 1xya s GLU 140 CO 0.31 -1.29 0.00 0.41 -0.49 0.00 0.00 175.26 174.20 1xya n GLY 141 N 4.95 -0.38 3.50 -1.39 0.00 -1.26 -1.16 105.19 109.45 1xya n GLY 141 Ca 0.06 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 1xya n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xya s ALA 142 N -1.00 -1.80 -0.58 4.61 0.00 -1.00 -4.89 121.76 117.10 1xya s ALA 142 Ca 0.00 0.99 0.14 0.00 0.00 0.00 0.00 51.96 53.09 1xya s ALA 142 Cb 0.00 0.40 -0.16 0.00 0.00 0.00 0.00 23.12 23.37 1xya s ALA 142 CO 0.00 -0.67 0.55 0.39 0.00 0.00 0.00 175.76 176.03 1xya n GLU 143 N -0.19 2.25 -4.00 0.00 4.71 -1.26 -1.79 120.64 120.36 1xya n GLU 143 Ca -0.10 -0.01 -0.08 0.00 -0.01 0.00 0.00 57.16 56.96 1xya n GLU 143 Cb 0.62 -1.17 -0.09 0.00 -1.01 0.00 0.00 31.44 29.79 1xya n GLU 143 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1xya s SER 144 N -2.44 0.33 0.16 1.62 1.04 -1.26 -4.94 113.70 108.21 1xya s SER 144 Ca 0.04 -0.79 -0.03 0.00 0.48 0.00 0.00 55.95 55.65 1xya s SER 144 Cb 0.10 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.46 1xya s SER 144 CO 0.57 -0.58 1.41 1.23 0.98 0.00 0.00 173.24 176.84 1xya h GLY 145 N 3.30 0.52 0.26 7.32 0.00 -1.96 -3.21 103.07 109.31 1xya h GLY 145 Ca -0.34 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.26 1xya h GLY 145 CO 0.59 0.66 -0.15 0.00 0.00 0.00 0.00 176.54 177.63 1xya n ALA 146 N -2.53 2.87 0.30 3.60 0.00 -1.26 -3.97 120.51 119.53 1xya n ALA 146 Ca -0.05 -0.37 0.17 0.00 0.00 0.00 0.00 53.44 53.19 1xya n ALA 146 Cb 0.72 -1.20 0.70 0.00 0.00 0.00 0.00 19.45 19.67 1xya n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xya h ALA 147 N 3.83 1.00 -2.60 0.00 0.00 -1.99 -3.41 119.26 116.09 1xya h ALA 147 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1xya h ALA 147 Cb 0.45 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.93 1xya h ALA 147 CO 0.00 0.00 -0.49 0.21 0.00 0.00 0.00 179.25 178.97 1xya s LYS 148 N -3.66 0.22 -0.41 0.00 2.47 -1.25 -4.99 119.74 112.12 1xya s LYS 148 Ca 0.01 0.73 -0.28 0.00 -1.56 0.00 0.00 55.97 54.88 1xya s LYS 148 Cb 0.09 -0.13 0.02 0.00 -1.46 0.00 0.00 37.83 36.36 1xya s LYS 148 CO 0.51 -0.37 1.04 0.34 0.16 0.00 0.00 175.35 177.04 1xya s ASP 149 N 2.48 6.70 0.22 1.43 -1.08 -1.26 -4.95 116.67 120.21 1xya s ASP 149 Ca 0.03 0.60 0.07 0.00 -0.52 0.00 0.00 52.55 52.73 1xya s ASP 149 Cb -0.13 -2.51 0.17 0.00 -1.46 0.00 0.00 42.92 38.99 1xya s ASP 149 CO -0.11 -1.03 1.50 0.58 0.52 0.00 0.00 175.17 176.63 1xya h VAL 150 N 5.98 1.49 -0.67 1.11 2.07 -1.98 -0.77 116.25 123.49 1xya h VAL 150 Ca -0.23 -2.41 -0.06 0.00 0.82 0.00 0.00 66.70 64.83 1xya h VAL 150 Cb 1.07 2.30 -0.03 0.00 -1.52 0.00 0.00 31.29 33.11 1xya h VAL 150 CO 1.05 0.69 0.16 0.03 0.02 0.00 0.00 177.57 179.53 1xya h ARG 151 N 0.05 1.06 -0.18 1.57 3.08 -1.99 0.90 114.38 118.87 1xya h ARG 151 Ca -0.01 -0.24 -0.20 0.00 0.07 0.00 0.00 59.98 59.59 1xya h ARG 151 Cb 1.29 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 31.20 1xya h ARG 151 CO 0.10 0.94 -0.67 0.28 -1.07 0.00 0.00 179.97 179.55 1xya h VAL 152 N 1.01 1.29 -0.45 2.04 2.07 -1.91 -1.86 116.25 118.43 1xya h VAL 152 Ca 0.21 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 1xya h VAL 152 Cb 0.35 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1xya h VAL 152 CO 0.00 0.59 0.23 0.00 0.02 0.00 0.00 177.57 178.41 1xya h ALA 153 N 0.57 1.56 -0.05 1.67 0.00 -0.91 -0.93 119.26 121.17 1xya h ALA 153 Ca -0.03 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1xya h ALA 153 Cb 1.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1xya h ALA 153 CO 0.14 0.36 -0.51 -0.07 0.00 0.00 0.00 179.25 179.18 1xya h LEU 154 N 0.63 0.14 -0.24 0.00 3.38 -0.61 0.58 115.31 119.19 1xya h LEU 154 Ca 0.16 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1xya h LEU 154 Cb 0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1xya h LEU 154 CO -0.02 0.63 0.14 0.44 0.09 0.00 0.00 178.44 179.72 1xya h ASP 155 N 0.11 0.23 0.07 -0.43 3.32 -0.48 -0.67 116.42 118.56 1xya h ASP 155 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1xya h ASP 155 Cb 0.93 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 1xya h ASP 155 CO 0.07 0.17 -0.15 0.03 -1.72 0.00 0.00 179.24 177.64 1xya h ARG 156 N 0.29 0.19 -0.12 3.56 2.47 -0.83 -0.63 114.38 119.32 1xya h ARG 156 Ca 0.10 -0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.67 1xya h ARG 156 Cb -0.00 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1xya h ARG 156 CO -0.04 0.35 -0.31 1.98 0.56 0.00 0.00 179.97 182.51 1xya h MET 157 N 0.18 0.42 -0.62 0.04 4.05 -0.68 -1.73 114.93 116.59 1xya h MET 157 Ca 0.04 -0.29 -0.02 0.00 -0.28 0.00 0.00 59.70 59.14 1xya h MET 157 Cb 0.39 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 1xya h MET 157 CO 0.02 0.90 0.30 -0.22 0.23 0.00 0.00 176.91 178.15 1xya h LYS 158 N 0.00 0.90 -0.13 0.39 3.64 -1.01 -1.88 116.57 118.49 1xya h LYS 158 Ca -0.00 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1xya h LYS 158 Cb 0.92 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1xya h LYS 158 CO 0.07 0.73 0.06 1.49 -2.27 0.00 0.00 179.45 179.53 1xya h GLU 159 N 0.86 0.13 -0.19 1.90 4.81 -1.06 0.55 114.58 121.59 1xya h GLU 159 Ca 0.21 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1xya h GLU 159 Cb 0.13 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 1xya h GLU 159 CO -0.03 0.09 -0.11 0.00 -0.73 0.00 0.00 179.01 178.23 1xya h ALA 160 N 1.06 0.04 -0.37 2.92 0.00 -1.01 -1.22 119.26 120.68 1xya h ALA 160 Ca 0.05 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1xya h ALA 160 Cb 0.01 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1xya h ALA 160 CO -0.03 -0.54 -0.10 0.74 0.00 0.00 0.00 179.25 179.32 1xya h PHE 161 N -0.10 0.68 -0.55 0.00 0.04 -1.15 -1.67 116.94 114.19 1xya h PHE 161 Ca 0.11 -0.11 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1xya h PHE 161 Cb 0.26 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 1xya h PHE 161 CO -0.26 0.70 0.07 -0.44 -0.60 0.00 0.00 178.31 177.78 1xya h ASP 162 N 0.58 0.84 -0.44 2.17 3.32 -0.59 -1.54 116.42 120.76 1xya h ASP 162 Ca 0.11 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 1xya h ASP 162 Cb 0.51 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1xya h ASP 162 CO 0.03 0.87 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.20 1xya h LEU 163 N 0.84 0.93 -0.93 1.55 3.38 -0.94 -1.40 115.31 118.75 1xya h LEU 163 Ca 0.17 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1xya h LEU 163 Cb 0.40 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1xya h LEU 163 CO 0.01 1.07 0.28 -0.07 0.09 0.00 0.00 178.44 179.82 1xya h LEU 164 N 0.82 0.97 -0.60 1.67 3.38 -1.15 -1.60 115.31 118.80 1xya h LEU 164 Ca 0.12 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1xya h LEU 164 Cb 0.69 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1xya h LEU 164 CO 0.05 0.87 -0.02 1.23 0.09 0.00 0.00 178.44 180.66 1xya h GLY 165 N 1.09 1.16 0.95 0.83 0.00 -1.05 -1.76 103.07 104.30 1xya h GLY 165 Ca 0.24 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1xya h GLY 165 CO -0.02 0.80 0.18 -2.09 0.00 0.00 0.00 176.54 175.41 1xya h GLU 166 N 0.98 0.62 0.05 4.80 4.81 -1.13 -1.70 114.58 123.00 1xya h GLU 166 Ca 0.17 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1xya h GLU 166 Cb 0.58 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1xya h GLU 166 CO 0.03 0.57 -0.02 -0.92 -0.73 0.00 0.00 179.01 177.94 1xya h TYR 167 N 0.54 -0.06 0.00 0.92 3.20 -1.18 -0.26 116.97 120.13 1xya h TYR 167 Ca 0.14 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 1xya h TYR 167 Cb 0.17 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1xya h TYR 167 CO -0.00 -0.01 -0.43 -0.39 -1.64 0.00 0.00 178.16 175.69 1xya h VAL 168 N -0.10 1.08 -0.24 1.81 -1.51 -1.28 -2.01 116.25 113.99 1xya h VAL 168 Ca -0.01 -1.61 -0.14 0.00 -1.23 0.00 0.00 66.70 63.71 1xya h VAL 168 Cb 0.09 1.93 -0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1xya h VAL 168 CO 0.01 0.42 -0.41 0.74 -1.23 0.00 0.00 177.57 177.11 1xya h THR 169 N 0.00 1.31 0.00 7.19 2.02 -1.21 -1.47 112.91 120.75 1xya h THR 169 Ca -0.00 -1.61 -0.01 0.00 0.77 0.00 0.00 66.41 65.55 1xya h THR 169 Cb 0.89 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1xya h THR 169 CO 0.06 0.51 -0.05 0.77 0.37 0.00 0.00 175.52 177.18 1xya h SER 170 N 0.42 0.00 0.81 4.18 4.64 -0.78 -2.51 113.55 120.31 1xya h SER 170 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1xya h SER 170 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1xya h SER 170 CO 0.09 0.05 -0.67 0.00 -0.87 0.00 0.00 176.83 175.43 1xya n GLN 171 N -3.14 0.29 -1.35 4.77 1.13 -0.78 -4.97 117.38 113.33 1xya n GLN 171 Ca 0.01 0.07 -0.07 0.00 -1.94 0.00 0.00 57.00 55.08 1xya n GLN 171 Cb 0.37 -1.67 -0.02 0.00 0.11 0.00 0.00 30.24 29.03 1xya n GLN 171 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xya n GLY 172 N 1.34 0.76 3.77 1.08 0.00 -0.71 -5.01 105.19 106.42 1xya n GLY 172 Ca 0.03 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 1xya n GLY 172 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xya s TYR 173 N -2.26 2.92 -0.19 1.61 2.02 -0.64 -4.95 117.35 115.86 1xya s TYR 173 Ca 0.00 1.54 0.19 0.00 -0.37 0.00 0.00 57.07 58.44 1xya s TYR 173 Cb 0.00 -3.37 0.32 0.00 -0.40 0.00 0.00 41.96 38.51 1xya s TYR 173 CO 0.00 -1.44 1.57 0.22 -1.57 0.00 0.00 175.55 174.33 1xya h ASP 174 N 2.17 0.00 -3.25 2.29 1.82 -1.95 -3.45 116.42 114.05 1xya h ASP 174 Ca -0.49 0.00 -0.58 0.00 -0.39 0.00 0.00 57.03 55.57 1xya h ASP 174 Cb 1.24 0.00 0.15 0.00 0.68 0.00 0.00 39.33 41.40 1xya h ASP 174 CO 0.61 0.29 0.11 1.07 -1.61 0.00 0.00 179.24 179.71 1xya n THR 175 N -3.21 2.85 -4.43 2.25 5.66 -1.26 -5.01 114.28 111.12 1xya n THR 175 Ca 0.02 -0.50 -0.22 0.00 -3.05 0.00 0.00 64.05 60.30 1xya n THR 175 Cb 0.61 -1.13 -0.10 0.00 -1.55 0.00 0.00 70.33 68.16 1xya n THR 175 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1xya s ARG 176 N -2.28 1.56 0.07 1.09 0.52 -0.46 -4.99 118.95 114.46 1xya s ARG 176 Ca 0.68 -1.75 0.04 0.00 -0.52 0.00 0.00 55.73 54.18 1xya s ARG 176 Cb -0.49 -1.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.53 1xya s ARG 176 CO 0.53 0.18 0.01 -0.06 0.02 0.00 0.00 175.30 175.99 1xya s PHE 177 N -2.79 3.03 -0.05 -0.53 0.08 -0.03 -0.26 117.98 117.43 1xya s PHE 177 Ca 0.28 0.01 -0.02 0.00 0.12 0.00 0.00 56.93 57.32 1xya s PHE 177 Cb -0.00 -1.57 0.03 0.00 -0.57 0.00 0.00 43.02 40.90 1xya s PHE 177 CO 0.12 0.48 0.05 0.00 -0.10 0.00 0.00 175.22 175.77 1xya s ALA 178 N -1.28 0.34 -0.01 5.36 0.00 -0.28 -0.94 121.76 124.95 1xya s ALA 178 Ca 0.25 0.11 -0.27 0.00 0.00 0.00 0.00 51.96 52.05 1xya s ALA 178 Cb -0.12 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1xya s ALA 178 CO 0.17 -0.50 0.85 0.42 0.00 0.00 0.00 175.76 176.71 1xya s ILE 179 N 2.13 4.89 -0.42 0.00 1.01 -0.19 -1.02 121.20 127.60 1xya s ILE 179 Ca 0.05 1.79 -0.11 0.00 0.00 0.00 0.00 60.65 62.37 1xya s ILE 179 Cb -0.12 -4.20 0.06 0.00 0.01 0.00 0.00 42.46 38.22 1xya s ILE 179 CO -0.04 0.23 0.28 -0.70 0.00 0.00 0.00 174.94 174.71 1xya s GLU 180 N 0.75 2.76 0.54 2.79 2.12 -0.20 -0.62 118.70 126.84 1xya s GLU 180 Ca 0.45 -1.33 -0.16 0.00 0.36 0.00 0.00 54.97 54.29 1xya s GLU 180 Cb -0.20 -3.87 -0.06 0.00 0.26 0.00 0.00 34.13 30.26 1xya s GLU 180 CO 0.24 -0.91 1.02 -2.14 -0.54 0.00 0.00 175.26 172.93 1xya s PRO 181 N 1.52 3.70 -0.27 4.30 0.02 -1.26 -4.49 135.00 138.51 1xya s PRO 181 Ca 0.03 1.07 -0.20 0.00 0.02 0.00 0.00 61.00 61.92 1xya s PRO 181 Cb -0.22 -2.09 0.07 0.00 0.02 0.00 0.00 34.50 32.28 1xya s PRO 181 CO 0.05 -0.49 0.69 0.21 -0.33 0.00 0.00 177.00 177.13 1xya s LYS 182 N -4.04 0.76 0.19 5.54 2.20 -1.20 -4.70 119.74 118.49 1xya s LYS 182 Ca 0.61 1.09 0.09 0.00 -0.36 0.00 0.00 55.97 57.41 1xya s LYS 182 Cb -0.13 0.27 0.02 0.00 -1.51 0.00 0.00 37.83 36.49 1xya s LYS 182 CO 0.33 -0.12 1.41 -1.00 -0.36 0.00 0.00 175.35 175.61 1xya h PRO 183 N 5.99 0.00 -2.16 4.03 0.13 -1.70 -3.38 132.00 134.91 1xya h PRO 183 Ca -0.30 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.05 1xya h PRO 183 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 1xya h PRO 183 CO 0.11 0.82 0.61 0.54 -0.23 0.00 0.00 178.00 179.85 1xya s ASN 184 N -6.72 -0.10 0.04 1.44 4.22 -1.26 -1.82 114.94 110.75 1xya s ASN 184 Ca 0.01 -0.40 0.00 0.00 -2.14 0.00 0.00 52.86 50.33 1xya s ASN 184 Cb 0.11 0.40 0.00 0.00 1.28 0.00 0.00 41.25 43.04 1xya s ASN 184 CO 0.79 -0.76 0.00 1.21 -2.04 0.00 0.00 177.10 176.30 1xya n GLU 185 N -0.55 -3.05 0.01 3.55 2.13 -1.26 -4.82 120.64 116.64 1xya n GLU 185 Ca -0.06 2.41 0.14 0.00 0.66 0.00 0.00 57.16 60.31 1xya n GLU 185 Cb 0.61 -2.78 0.54 0.00 0.27 0.00 0.00 31.44 30.09 1xya n GLU 185 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1xya n PRO 186 N 1.06 0.02 -3.06 5.31 -0.04 -1.26 -5.03 135.00 132.00 1xya n PRO 186 Ca 0.00 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 1xya n PRO 186 Cb 0.00 -1.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.91 1xya n PRO 186 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xya s ARG 187 N -3.01 3.68 0.22 0.54 1.81 -1.26 -4.99 118.95 115.96 1xya s ARG 187 Ca 0.13 0.21 -0.08 0.00 -1.72 0.00 0.00 55.73 54.28 1xya s ARG 187 Cb 0.18 -2.51 0.24 0.00 -0.45 0.00 0.00 34.95 32.41 1xya s ARG 187 CO 0.56 0.06 1.86 0.78 -0.68 0.00 0.00 175.30 177.88 1xya h GLY 188 N 1.33 1.14 -6.33 -3.53 0.00 -1.86 -3.40 103.07 90.42 1xya h GLY 188 Ca -0.47 -0.37 -0.31 0.00 0.00 0.00 0.00 47.33 46.18 1xya h GLY 188 CO 0.64 0.30 -0.74 0.99 0.00 0.00 0.00 176.54 177.74 1xya s ASP 189 N -5.79 0.19 -0.01 0.19 1.01 -0.74 -4.63 116.67 106.89 1xya s ASP 189 Ca -0.13 0.01 -0.04 0.00 0.71 0.00 0.00 52.55 53.11 1xya s ASP 189 Cb 0.17 -0.11 -0.04 0.00 1.01 0.00 0.00 42.92 43.94 1xya s ASP 189 CO 0.78 -0.10 0.20 -0.63 0.21 0.00 0.00 175.17 175.63 1xya s ILE 190 N 0.89 5.41 0.42 0.77 1.01 -0.75 -2.36 121.20 126.58 1xya s ILE 190 Ca -0.08 -0.09 -0.23 0.00 0.00 0.00 0.00 60.65 60.25 1xya s ILE 190 Cb -0.11 -3.54 -0.09 0.00 0.01 0.00 0.00 42.46 38.72 1xya s ILE 190 CO -0.02 0.33 1.05 -0.76 0.00 0.00 0.00 174.94 175.54 1xya s LEU 191 N -1.90 4.07 -0.94 2.97 1.43 -0.31 -3.64 118.68 120.36 1xya s LEU 191 Ca 0.27 2.01 -0.06 0.00 -1.03 0.00 0.00 54.13 55.32 1xya s LEU 191 Cb -0.13 -4.27 -0.03 0.00 0.03 0.00 0.00 46.19 41.79 1xya s LEU 191 CO 0.18 -0.55 0.80 0.18 0.23 0.00 0.00 176.35 177.19 1xya n LEU 192 N -0.27 -5.31 0.24 1.79 4.77 -1.26 -4.82 117.00 112.13 1xya n LEU 192 Ca 0.06 -0.56 0.13 0.00 -0.03 0.00 0.00 56.01 55.61 1xya n LEU 192 Cb 0.50 -3.00 0.47 0.00 -2.33 0.00 0.00 43.42 39.06 1xya n LEU 192 CO 0.44 -0.24 0.86 1.55 -1.33 0.00 0.00 177.39 178.66 1xya h PRO 193 N -0.64 0.00 -4.82 3.23 0.13 -1.74 -3.32 132.00 124.84 1xya h PRO 193 Ca -0.41 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.40 1xya h PRO 193 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 1xya h PRO 193 CO 0.39 0.12 -0.62 0.95 -0.23 0.00 0.00 178.00 178.61 1xya s THR 194 N -3.54 0.48 0.27 1.56 -4.23 -1.26 -2.37 115.64 106.55 1xya s THR 194 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1xya s THR 194 Cb 0.09 -2.55 0.26 0.00 1.34 0.00 0.00 72.50 71.64 1xya s THR 194 CO 0.61 -0.06 1.72 0.58 -0.54 0.00 0.00 174.62 176.93 1xya h VAL 195 N 2.46 0.59 0.12 2.29 2.07 -1.92 -1.78 116.25 120.08 1xya h VAL 195 Ca -0.38 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1xya h VAL 195 Cb 1.24 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1xya h VAL 195 CO 0.60 0.09 -0.10 1.23 0.02 0.00 0.00 177.57 179.41 1xya h GLY 196 N 0.47 -0.21 1.00 2.17 0.00 -1.96 -0.30 103.07 104.24 1xya h GLY 196 Ca 0.49 0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.95 1xya h GLY 196 CO -0.45 -0.10 0.66 0.45 0.00 0.00 0.00 176.54 177.10 1xya h HIS 197 N -0.23 1.25 -0.35 5.60 -0.00 -1.79 -1.43 115.15 118.20 1xya h HIS 197 Ca -0.00 0.03 -0.16 0.00 -0.00 0.00 0.00 60.37 60.24 1xya h HIS 197 Cb 0.21 -0.42 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 1xya h HIS 197 CO -0.11 0.77 -0.41 0.00 -0.00 0.00 0.00 177.93 178.19 1xya h ALA 198 N 1.39 0.61 -0.86 2.45 0.00 -1.08 -2.34 119.26 119.43 1xya h ALA 198 Ca 0.37 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xya h ALA 198 Cb -0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1xya h ALA 198 CO -0.09 0.68 0.43 -0.07 0.00 0.00 0.00 179.25 180.20 1xya h LEU 199 N 0.71 1.11 -0.49 0.00 3.38 -0.62 -2.09 115.31 117.31 1xya h LEU 199 Ca 0.05 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1xya h LEU 199 Cb 0.99 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1xya h LEU 199 CO 0.10 0.92 0.05 0.00 0.09 0.00 0.00 178.44 179.60 1xya h ALA 200 N 1.25 0.65 -0.37 1.53 0.00 -1.21 -3.13 119.26 117.98 1xya h ALA 200 Ca 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xya h ALA 200 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1xya h ALA 200 CO -0.04 0.40 0.17 0.35 0.00 0.00 0.00 179.25 180.13 1xya h PHE 201 N 0.69 0.54 -1.01 0.00 3.57 -1.20 -2.85 116.94 116.68 1xya h PHE 201 Ca 0.14 -0.03 0.24 0.00 3.53 0.00 0.00 57.97 61.85 1xya h PHE 201 Cb 0.43 -0.17 -0.10 0.00 2.79 0.00 0.00 35.95 38.91 1xya h PHE 201 CO 0.03 0.47 0.64 0.82 -2.23 0.00 0.00 178.31 178.04 1xya h ILE 202 N 0.45 0.58 0.00 1.41 2.04 -1.34 -0.10 117.51 120.55 1xya h ILE 202 Ca 0.13 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1xya h ILE 202 Cb 0.14 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1xya h ILE 202 CO -0.01 0.09 0.00 -0.33 0.00 0.00 0.00 178.15 177.90 1xya h GLU 203 N 0.50 0.00 -0.11 2.37 4.39 -1.45 -2.08 114.58 118.20 1xya h GLU 203 Ca 0.59 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.29 1xya h GLU 203 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1xya h GLU 203 CO -0.33 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.06 1xya n ARG 204 N -2.61 2.21 -2.11 2.33 3.00 -0.05 -4.96 116.66 114.47 1xya n ARG 204 Ca -0.00 -1.77 -0.30 0.00 -0.01 0.00 0.00 57.85 55.76 1xya n ARG 204 Cb 0.16 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.15 1xya n ARG 204 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1xya s LEU 205 N -1.87 3.37 0.44 0.55 1.43 -0.78 -4.97 118.68 116.84 1xya s LEU 205 Ca 0.32 1.32 0.20 0.00 -1.03 0.00 0.00 54.13 54.95 1xya s LEU 205 Cb 0.21 -4.33 1.01 0.00 0.03 0.00 0.00 46.19 43.10 1xya s LEU 205 CO 0.31 -0.77 1.91 1.05 0.23 0.00 0.00 176.35 179.08 1xya h GLU 206 N -0.03 0.00 -2.42 1.70 4.11 -1.93 -3.32 114.58 112.69 1xya h GLU 206 Ca -0.45 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.38 1xya h GLU 206 Cb 1.19 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.03 1xya h GLU 206 CO 0.62 0.26 -0.70 0.54 0.07 0.00 0.00 179.01 179.80 1xya n ARG 207 N -3.77 1.86 0.27 1.06 1.74 -1.26 -4.97 116.66 111.58 1xya n ARG 207 Ca -0.01 -4.27 0.18 0.00 -0.77 0.00 0.00 57.85 52.98 1xya n ARG 207 Cb 0.36 -2.05 0.93 0.00 -1.02 0.00 0.00 32.46 30.68 1xya n ARG 207 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1xya h PRO 208 N 4.60 0.00 0.00 5.56 0.11 -1.79 -2.43 132.00 138.06 1xya h PRO 208 Ca 0.17 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1xya h PRO 208 Cb 0.74 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1xya h PRO 208 CO 0.71 0.00 -0.11 1.05 -0.21 0.00 0.00 178.00 179.43 1xya h GLU 209 N 0.00 0.00 -0.00 1.05 9.09 -1.93 -2.56 114.58 120.23 1xya h GLU 209 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 1xya h GLU 209 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 1xya h GLU 209 CO -0.00 0.11 -0.01 1.28 0.05 0.00 0.00 179.01 180.44 1xya n LEU 210 N -3.61 0.28 -3.93 3.06 4.32 -0.91 -4.88 117.00 111.32 1xya n LEU 210 Ca -0.02 -0.03 -0.16 0.00 -0.02 0.00 0.00 56.01 55.78 1xya n LEU 210 Cb 0.24 -0.06 -0.15 0.00 -1.62 0.00 0.00 43.42 41.83 1xya n LEU 210 CO 0.30 0.05 -0.40 -0.31 -1.22 0.00 0.00 177.39 175.81 1xya s TYR 211 N -2.14 0.44 0.00 -1.77 1.51 -0.97 -0.85 117.35 113.58 1xya s TYR 211 Ca 0.42 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.39 1xya s TYR 211 Cb 0.21 -0.32 0.00 0.00 -0.11 0.00 0.00 41.96 41.74 1xya s TYR 211 CO 0.39 -0.04 0.00 0.41 -1.11 0.00 0.00 175.55 175.20 1xya n GLY 212 N 3.18 4.44 3.52 0.71 0.00 -0.11 -4.98 105.19 111.94 1xya n GLY 212 Ca -0.15 -1.35 -0.24 0.00 0.00 0.00 0.00 46.02 44.28 1xya n GLY 212 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xya s VAL 213 N -1.62 2.76 -0.51 1.61 -7.23 -0.49 -1.02 120.40 113.90 1xya s VAL 213 Ca 0.00 -2.25 0.04 0.00 -1.81 0.00 0.00 61.98 57.96 1xya s VAL 213 Cb 0.00 -2.46 0.17 0.00 0.56 0.00 0.00 36.38 34.66 1xya s VAL 213 CO 0.00 -0.38 0.39 -3.20 -0.31 0.00 0.00 175.10 171.60 1xya n ASN 214 N -0.67 0.64 -4.78 4.85 5.15 0.21 -2.50 115.26 118.16 1xya n ASN 214 Ca -0.06 -2.64 -0.34 0.00 -0.60 0.00 0.00 54.58 50.94 1xya n ASN 214 Cb 0.60 -0.62 0.01 0.00 -0.53 0.00 0.00 39.78 39.24 1xya n ASN 214 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1xya s PRO 215 N -0.44 3.24 -0.05 1.20 0.02 -1.26 -4.24 135.00 133.46 1xya s PRO 215 Ca 0.30 1.48 0.04 0.00 0.02 0.00 0.00 61.00 62.85 1xya s PRO 215 Cb 0.01 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1xya s PRO 215 CO -0.19 -0.92 -0.16 -2.00 -0.33 0.00 0.00 177.00 173.40 1xya s GLU 216 N -3.58 1.80 0.10 5.54 2.12 -1.26 -1.10 118.70 122.31 1xya s GLU 216 Ca 0.70 -0.56 -0.22 0.00 0.36 0.00 0.00 54.97 55.25 1xya s GLU 216 Cb -0.21 -1.53 -0.06 0.00 0.26 0.00 0.00 34.13 32.59 1xya s GLU 216 CO 0.31 0.18 1.37 0.28 -0.54 0.00 0.00 175.26 176.86 1xya h VAL 217 N 5.44 0.00 -0.07 3.70 2.07 -1.74 -2.24 116.25 123.42 1xya h VAL 217 Ca -0.31 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1xya h VAL 217 Cb 1.18 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1xya h VAL 217 CO 0.48 0.00 -0.09 1.23 0.02 0.00 0.00 177.57 179.21 1xya h GLY 218 N -0.13 0.11 0.86 2.17 0.00 -1.86 -2.81 103.07 101.41 1xya h GLY 218 Ca 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1xya h GLY 218 CO -0.52 0.05 -0.08 0.45 0.00 0.00 0.00 176.54 176.44 1xya h HIS 219 N 0.10 0.59 -0.14 5.60 3.86 -1.75 -0.36 115.15 123.04 1xya h HIS 219 Ca 0.02 -0.13 -0.11 0.00 -1.16 0.00 0.00 60.37 58.99 1xya h HIS 219 Cb 0.23 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1xya h HIS 219 CO 0.00 0.75 -0.38 0.93 0.86 0.00 0.00 177.93 180.09 1xya h GLU 220 N 0.27 0.31 0.00 2.45 4.39 -1.48 -2.43 114.58 118.09 1xya h GLU 220 Ca 0.06 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1xya h GLU 220 Cb 0.57 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1xya h GLU 220 CO 0.03 0.65 -0.14 1.96 -1.16 0.00 0.00 179.01 180.35 1xya h GLN 221 N 0.26 0.00 0.00 2.33 4.20 -1.30 -1.90 115.11 118.71 1xya h GLN 221 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1xya h GLN 221 Cb 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1xya h GLN 221 CO 0.06 0.14 0.00 0.52 -0.67 0.00 0.00 178.83 178.88 1xya h MET 222 N 0.00 0.00 -0.51 1.46 2.86 -0.54 -1.51 114.93 116.69 1xya h MET 222 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xya h MET 222 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1xya h MET 222 CO 0.02 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.99 1xya n ALA 223 N -1.99 2.81 -1.30 6.32 0.00 -0.78 -4.71 120.51 120.86 1xya n ALA 223 Ca -0.00 -1.61 -0.10 0.00 0.00 0.00 0.00 53.44 51.73 1xya n ALA 223 Cb 0.19 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 1xya n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xya n GLY 224 N 0.70 1.14 3.93 0.00 0.00 -0.57 -5.01 105.19 105.38 1xya n GLY 224 Ca 0.21 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1xya n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xya s LEU 225 N -2.33 3.62 -0.47 0.99 1.43 -0.82 -4.98 118.68 116.12 1xya s LEU 225 Ca 0.00 0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 53.46 1xya s LEU 225 Cb 0.00 -3.49 0.03 0.00 0.03 0.00 0.00 46.19 42.76 1xya s LEU 225 CO 0.00 -0.67 0.88 0.21 0.23 0.00 0.00 176.35 177.00 1xya s ASN 226 N -4.17 6.45 0.06 2.29 3.84 -1.26 -4.31 114.94 117.84 1xya s ASN 226 Ca 0.48 -0.03 -0.22 0.00 0.21 0.00 0.00 52.86 53.29 1xya s ASN 226 Cb -0.10 -2.43 -0.14 0.00 -0.55 0.00 0.00 41.25 38.03 1xya s ASN 226 CO 0.41 -1.03 1.57 0.15 -2.79 0.00 0.00 177.10 175.42 1xya h PHE 227 N 9.08 0.13 -0.94 0.43 3.57 -1.91 -2.08 116.94 125.21 1xya h PHE 227 Ca -0.25 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.45 1xya h PHE 227 Cb 1.08 -0.04 -0.12 0.00 2.79 0.00 0.00 35.95 39.67 1xya h PHE 227 CO 0.85 0.27 0.50 -1.35 -2.23 0.00 0.00 178.31 176.35 1xya h PRO 228 N -0.06 0.54 -0.70 6.41 0.11 -1.92 -0.91 132.00 135.47 1xya h PRO 228 Ca 0.03 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 1xya h PRO 228 Cb 0.21 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.16 1xya h PRO 228 CO -0.00 0.36 0.15 0.45 -0.21 0.00 0.00 178.00 178.74 1xya h HIS 229 N 0.56 1.20 -0.51 0.65 3.86 -1.87 -0.98 115.15 118.07 1xya h HIS 229 Ca 0.57 -0.15 -0.11 0.00 -1.16 0.00 0.00 60.37 59.51 1xya h HIS 229 Cb 1.00 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 29.12 1xya h HIS 229 CO -0.07 0.98 -0.13 0.78 0.86 0.00 0.00 177.93 180.35 1xya h GLY 230 N 1.07 1.04 1.16 2.45 0.00 -0.78 -2.01 103.07 106.02 1xya h GLY 230 Ca 0.22 -0.85 -0.08 0.00 0.00 0.00 0.00 47.33 46.62 1xya h GLY 230 CO 0.01 0.78 0.08 -2.22 0.00 0.00 0.00 176.54 175.18 1xya h ILE 231 N 0.85 1.26 -0.97 2.60 1.08 -0.98 -2.11 117.51 119.24 1xya h ILE 231 Ca 0.13 -1.03 0.02 0.00 -0.39 0.00 0.00 64.86 63.59 1xya h ILE 231 Cb 0.69 0.69 -0.05 0.00 -3.07 0.00 0.00 36.82 35.08 1xya h ILE 231 CO 0.05 0.38 0.64 0.00 -0.69 0.00 0.00 178.15 178.53 1xya h ALA 232 N 1.12 1.25 -0.29 1.87 0.00 -0.93 0.04 119.26 122.32 1xya h ALA 232 Ca 0.19 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1xya h ALA 232 Cb 0.44 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xya h ALA 232 CO 0.01 0.59 -0.40 0.37 0.00 0.00 0.00 179.25 179.82 1xya h GLN 233 N 1.28 0.69 -0.53 0.00 4.15 -1.16 0.47 115.11 120.01 1xya h GLN 233 Ca 0.37 -0.36 -0.10 0.00 0.77 0.00 0.00 58.65 59.33 1xya h GLN 233 Cb -0.10 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 1xya h GLN 233 CO -0.09 0.97 -0.07 0.00 -1.93 0.00 0.00 178.83 177.70 1xya h ALA 234 N 0.99 0.87 -0.36 3.38 0.00 -1.02 -1.73 119.26 121.38 1xya h ALA 234 Ca 0.05 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1xya h ALA 234 Cb 0.93 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xya h ALA 234 CO 0.08 0.65 -0.25 -0.07 0.00 0.00 0.00 179.25 179.66 1xya h LEU 235 N 0.87 0.75 -0.99 0.00 3.38 -0.91 -0.31 115.31 118.10 1xya h LEU 235 Ca 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1xya h LEU 235 Cb 0.61 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1xya h LEU 235 CO 0.04 0.97 0.31 -0.25 0.09 0.00 0.00 178.44 179.61 1xya h TRP 236 N 0.64 1.04 0.00 1.13 7.01 -0.56 -2.48 115.95 122.73 1xya h TRP 236 Ca 0.08 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1xya h TRP 236 Cb 0.76 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.50 1xya h TRP 236 CO 0.04 0.78 0.00 0.00 -2.79 0.00 0.00 178.44 176.47 1xya n ALA 237 N -2.44 2.13 -1.34 2.65 0.00 -0.68 -4.93 120.51 115.90 1xya n ALA 237 Ca 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 1xya n ALA 237 Cb 0.16 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.16 1xya n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xya n GLY 238 N 1.00 0.38 0.25 0.00 0.00 -0.86 -4.96 105.19 101.00 1xya n GLY 238 Ca 0.05 -1.02 0.02 0.00 0.00 0.00 0.00 46.02 45.07 1xya n GLY 238 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xya n LYS 239 N -2.32 2.31 -2.52 1.61 4.76 -0.18 -4.90 118.16 116.91 1xya n LYS 239 Ca -0.00 -1.55 -0.40 0.00 -2.87 0.00 0.00 58.31 53.49 1xya n LYS 239 Cb 0.17 -1.11 -0.03 0.00 -1.84 0.00 0.00 35.03 32.23 1xya n LYS 239 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xya s LEU 240 N -0.88 3.51 0.30 -0.35 2.96 -1.19 -1.39 118.68 121.64 1xya s LEU 240 Ca 0.09 -1.52 0.20 0.00 -0.22 0.00 0.00 54.13 52.68 1xya s LEU 240 Cb 0.05 -2.57 0.13 0.00 0.50 0.00 0.00 46.19 44.30 1xya s LEU 240 CO 0.06 -1.56 1.34 -0.26 -1.32 0.00 0.00 176.35 174.61 1xya h PHE 241 N 9.64 0.00 -2.31 5.38 -1.00 -1.84 -3.48 116.94 123.33 1xya h PHE 241 Ca 0.22 0.00 0.15 0.00 2.81 0.00 0.00 57.97 61.15 1xya h PHE 241 Cb 0.99 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.44 1xya h PHE 241 CO 1.29 0.20 0.49 -1.58 -1.61 0.00 0.00 178.31 177.11 1xya s HIS 242 N -3.14 -0.22 -0.08 -0.55 2.46 -1.19 -4.89 115.29 107.67 1xya s HIS 242 Ca 0.03 -0.01 -0.14 0.00 0.47 0.00 0.00 55.06 55.42 1xya s HIS 242 Cb 0.07 0.60 0.03 0.00 -0.13 0.00 0.00 32.58 33.15 1xya s HIS 242 CO 0.73 -0.70 0.34 -1.50 -2.47 0.00 0.00 174.74 171.15 1xya s ILE 243 N -3.21 0.03 -0.16 0.89 2.07 -1.26 -4.21 121.20 115.34 1xya s ILE 243 Ca 0.09 -0.21 -0.00 0.00 -1.41 0.00 0.00 60.65 59.12 1xya s ILE 243 Cb -0.01 -0.56 -0.00 0.00 0.13 0.00 0.00 42.46 42.01 1xya s ILE 243 CO -0.03 -0.11 -0.13 -1.81 -1.91 0.00 0.00 174.94 170.94 1xya s ASP 244 N -0.50 3.78 -0.14 4.50 1.01 -0.25 -3.40 116.67 121.68 1xya s ASP 244 Ca -0.06 -0.44 -0.03 0.00 0.71 0.00 0.00 52.55 52.73 1xya s ASP 244 Cb -0.04 -1.59 -0.03 0.00 1.01 0.00 0.00 42.92 42.27 1xya s ASP 244 CO 0.02 0.08 -0.05 -0.76 0.21 0.00 0.00 175.17 174.67 1xya s LEU 245 N 0.87 3.19 0.00 1.23 1.43 0.99 -2.13 118.68 124.27 1xya s LEU 245 Ca -0.04 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1xya s LEU 245 Cb -0.15 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1xya s LEU 245 CO -0.01 0.20 0.00 -0.46 0.23 0.00 0.00 176.35 176.32 1xya n ASN 246 N 3.30 0.00 -4.21 2.29 0.23 -1.26 -2.11 115.26 113.49 1xya n ASN 246 Ca -0.18 -0.60 -0.16 0.00 -0.53 0.00 0.00 54.58 53.11 1xya n ASN 246 Cb 0.53 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.12 1xya n ASN 246 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1xya s GLY 247 N -1.19 0.97 -0.18 4.83 0.00 0.03 -4.51 107.32 107.27 1xya s GLY 247 Ca 0.00 -1.25 -0.10 0.00 0.00 0.00 0.00 44.72 43.37 1xya s GLY 247 CO 0.00 -1.32 0.44 1.62 0.00 0.00 0.00 173.10 173.84 1xya s GLN 248 N -2.76 0.43 -0.90 2.90 2.00 -1.26 -1.45 119.66 118.62 1xya s GLN 248 Ca 0.08 0.83 0.01 0.00 -2.00 0.00 0.00 55.36 54.27 1xya s GLN 248 Cb -0.04 -0.00 0.32 0.00 0.80 0.00 0.00 33.01 34.09 1xya s GLN 248 CO 0.02 -0.16 1.47 -1.13 -0.50 0.00 0.00 175.29 174.99 1xya n SER 249 N 4.25 6.24 0.00 6.67 3.41 -1.26 -3.15 113.62 129.78 1xya n SER 249 Ca -0.23 -3.63 0.00 0.00 -0.26 0.00 0.00 58.87 54.75 1xya n SER 249 Cb 0.56 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1xya n SER 249 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xya n GLY 250 N 0.19 0.03 3.51 5.00 0.00 -1.26 -4.88 105.19 107.78 1xya n GLY 250 Ca 0.38 -2.29 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 1xya n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xya s ILE 251 N -0.58 4.64 0.00 -0.61 1.01 -1.26 -4.51 121.20 119.90 1xya s ILE 251 Ca 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 60.65 60.81 1xya s ILE 251 Cb 0.00 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.11 1xya s ILE 251 CO 0.00 -0.83 0.01 2.29 0.00 0.00 0.00 174.94 176.40 1xya n LYS 252 N 6.76 0.00 -1.02 2.79 2.85 -1.26 -5.10 118.16 123.19 1xya n LYS 252 Ca -0.00 -0.01 -0.34 0.00 -1.05 0.00 0.00 58.31 56.91 1xya n LYS 252 Cb 0.47 0.01 0.11 0.00 -0.65 0.00 0.00 35.03 34.97 1xya n LYS 252 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1xya n TYR 253 N -0.00 -0.29 -2.09 5.58 4.11 -1.26 -4.84 117.16 118.35 1xya n TYR 253 Ca 0.00 0.33 -0.42 0.00 -0.00 0.00 0.00 57.90 57.81 1xya n TYR 253 Cb 0.00 -1.93 -0.03 0.00 -0.00 0.00 0.00 39.34 37.38 1xya n TYR 253 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1xya s ASP 254 N -1.92 5.87 -0.03 9.48 2.15 -1.26 -4.90 116.67 126.06 1xya s ASP 254 Ca 0.65 0.98 -0.21 0.00 0.43 0.00 0.00 52.55 54.40 1xya s ASP 254 Cb -0.28 -2.53 -0.31 0.00 -0.30 0.00 0.00 42.92 39.50 1xya s ASP 254 CO 0.59 -1.78 0.93 1.56 -0.17 0.00 0.00 175.17 176.30 1xya h GLN 255 N 12.77 0.34 -5.89 4.34 4.20 -1.88 -3.48 115.11 125.50 1xya h GLN 255 Ca -0.31 -0.55 -0.38 0.00 0.06 0.00 0.00 58.65 57.47 1xya h GLN 255 Cb 1.15 0.20 0.11 0.00 0.30 0.00 0.00 27.48 29.24 1xya h GLN 255 CO 1.08 1.25 -0.78 -0.25 -0.67 0.00 0.00 178.83 179.47 1xya n ASP 256 N -4.09 -2.59 -4.68 1.46 8.00 -1.23 -4.66 116.55 108.74 1xya n ASP 256 Ca -0.14 -0.69 -0.30 0.00 0.71 0.00 0.00 54.79 54.37 1xya n ASP 256 Cb 0.83 -4.64 0.15 0.00 -0.02 0.00 0.00 41.12 37.45 1xya n ASP 256 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xya s LEU 257 N -6.68 2.35 0.53 0.64 1.43 -0.53 -0.34 118.68 116.08 1xya s LEU 257 Ca 0.14 1.74 -0.21 0.00 -1.03 0.00 0.00 54.13 54.77 1xya s LEU 257 Cb -0.07 -4.13 -0.06 0.00 0.03 0.00 0.00 46.19 41.97 1xya s LEU 257 CO 0.77 -2.86 1.19 0.00 0.23 0.00 0.00 176.35 175.68 1xya s ARG 258 N -4.79 3.34 0.27 1.70 1.70 -1.26 -0.79 118.95 119.12 1xya s ARG 258 Ca 0.64 1.81 -0.30 0.00 -0.47 0.00 0.00 55.73 57.41 1xya s ARG 258 Cb -0.20 -2.14 -0.13 0.00 -0.57 0.00 0.00 34.95 31.91 1xya s ARG 258 CO 0.58 -0.90 1.45 0.34 -1.08 0.00 0.00 175.30 175.69 1xya n PHE 259 N -1.09 2.38 0.00 5.89 7.35 -1.26 -2.23 117.46 128.50 1xya n PHE 259 Ca 0.11 0.39 0.00 0.00 -0.76 0.00 0.00 57.45 57.19 1xya n PHE 259 Cb 0.49 -2.50 0.00 0.00 0.35 0.00 0.00 39.48 37.82 1xya n PHE 259 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xya n GLY 260 N 1.99 3.09 3.76 7.13 0.00 -1.26 -4.42 105.19 115.48 1xya n GLY 260 Ca 0.10 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 1xya n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xya s ALA 261 N -0.48 1.84 0.00 4.61 0.00 -0.95 -4.25 121.76 122.52 1xya s ALA 261 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1xya s ALA 261 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1xya s ALA 261 CO 0.00 -2.10 0.00 0.41 0.00 0.00 0.00 175.76 174.07 1xya n GLY 262 N -1.58 0.62 3.45 0.00 0.00 -1.26 -4.02 105.19 102.39 1xya n GLY 262 Ca 0.07 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1xya n GLY 262 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xya s ASP 263 N -4.00 6.18 0.11 1.61 -1.08 -1.19 -4.89 116.67 113.41 1xya s ASP 263 Ca 0.00 -1.00 -0.13 0.00 -0.52 0.00 0.00 52.55 50.90 1xya s ASP 263 Cb 0.00 -2.41 -0.12 0.00 -1.46 0.00 0.00 42.92 38.93 1xya s ASP 263 CO 0.00 -1.40 1.36 0.25 0.52 0.00 0.00 175.17 175.90 1xya h LEU 264 N 11.20 0.90 -1.25 -1.34 5.85 -1.83 -2.29 115.31 126.56 1xya h LEU 264 Ca -0.29 -0.56 -0.06 0.00 0.84 0.00 0.00 57.88 57.81 1xya h LEU 264 Cb 1.07 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1xya h LEU 264 CO 1.17 1.31 -0.11 0.03 -0.34 0.00 0.00 178.44 180.49 1xya h ARG 265 N 0.54 0.38 -0.39 1.25 2.47 -1.93 -2.07 114.38 114.64 1xya h ARG 265 Ca -0.01 -0.10 -0.07 0.00 -1.26 0.00 0.00 59.98 58.54 1xya h ARG 265 Cb 1.19 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.44 1xya h ARG 265 CO 0.12 0.50 -0.06 0.00 0.56 0.00 0.00 179.97 181.10 1xya h ALA 266 N 1.53 1.16 -0.62 0.04 0.00 -1.92 -1.68 119.26 117.78 1xya h ALA 266 Ca 0.07 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1xya h ALA 266 Cb 0.42 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1xya h ALA 266 CO 0.02 0.54 0.08 0.00 0.00 0.00 0.00 179.25 179.89 1xya h ALA 267 N 1.32 0.97 0.26 0.00 0.00 -0.88 -0.89 119.26 120.04 1xya h ALA 267 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1xya h ALA 267 Cb 0.48 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xya h ALA 267 CO 0.02 0.64 -0.12 0.35 0.00 0.00 0.00 179.25 180.14 1xya h PHE 268 N 0.96 -0.32 0.00 0.00 3.57 -0.90 -1.17 116.94 119.07 1xya h PHE 268 Ca 0.19 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1xya h PHE 268 Cb 0.44 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1xya h PHE 268 CO 0.03 -0.18 -0.26 -1.49 -2.23 0.00 0.00 178.31 174.18 1xya h TRP 269 N -0.38 0.00 -0.06 0.41 -0.00 -1.19 -1.42 115.95 113.32 1xya h TRP 269 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.84 1xya h TRP 269 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.45 1xya h TRP 269 CO -0.05 0.26 -0.02 1.25 -0.00 0.00 0.00 178.44 179.88 1xya h LEU 270 N 0.00 0.12 -0.58 -4.49 5.85 -0.93 -1.57 115.31 113.70 1xya h LEU 270 Ca -0.00 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 1xya h LEU 270 Cb 0.52 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1xya h LEU 270 CO 0.03 0.47 0.35 0.58 -0.34 0.00 0.00 178.44 179.54 1xya h VAL 271 N -0.24 1.17 -0.82 1.05 2.07 -0.97 0.46 116.25 118.98 1xya h VAL 271 Ca 0.01 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.23 1xya h VAL 271 Cb 0.42 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1xya h VAL 271 CO 0.01 0.17 0.50 -0.78 0.02 0.00 0.00 177.57 177.49 1xya h ASP 272 N 0.78 0.78 0.04 0.57 3.58 -1.28 -0.32 116.42 120.57 1xya h ASP 272 Ca 0.21 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 1xya h ASP 272 Cb -0.03 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.88 1xya h ASP 272 CO -0.04 0.50 -0.02 0.25 -2.88 0.00 0.00 179.24 177.05 1xya h LEU 273 N 0.91 -0.05 -0.66 2.28 6.46 -0.45 -0.91 115.31 122.90 1xya h LEU 273 Ca 0.36 -0.41 0.07 0.00 -0.12 0.00 0.00 57.88 57.78 1xya h LEU 273 Cb 0.17 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.05 1xya h LEU 273 CO -0.17 0.39 0.34 -0.07 -0.62 0.00 0.00 178.44 178.31 1xya h LEU 274 N -0.50 0.47 -0.06 2.25 3.38 -0.69 0.71 115.31 120.88 1xya h LEU 274 Ca -0.01 0.05 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 1xya h LEU 274 Cb 0.45 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.18 1xya h LEU 274 CO 0.01 0.29 -0.96 -0.33 0.09 0.00 0.00 178.44 177.54 1xya h GLU 275 N 0.61 0.73 0.00 1.13 4.39 -1.06 -1.86 114.58 118.51 1xya h GLU 275 Ca 0.31 -0.72 -0.12 0.00 0.34 0.00 0.00 59.36 59.17 1xya h GLU 275 Cb 0.26 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1xya h GLU 275 CO -0.22 1.30 -0.57 0.66 -1.16 0.00 0.00 179.01 179.01 1xya h SER 276 N 0.44 0.00 0.11 1.42 4.64 -0.94 -3.00 113.55 116.22 1xya h SER 276 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1xya h SER 276 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1xya h SER 276 CO 0.19 0.57 -0.02 0.00 -0.87 0.00 0.00 176.83 176.70 1xya n ALA 277 N -2.39 2.66 -3.65 5.18 0.00 0.22 -4.94 120.51 117.59 1xya n ALA 277 Ca -0.01 -0.26 -0.24 0.00 0.00 0.00 0.00 53.44 52.93 1xya n ALA 277 Cb 0.60 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.71 1xya n ALA 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xya n GLY 278 N 1.12 -0.47 3.73 0.00 0.00 -1.07 -4.93 105.19 103.57 1xya n GLY 278 Ca 0.20 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 1xya n GLY 278 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xya s TYR 279 N -3.36 2.82 -0.47 1.61 5.04 -0.72 -4.92 117.35 117.35 1xya s TYR 279 Ca 0.43 0.53 0.05 0.00 -2.44 0.00 0.00 57.07 55.64 1xya s TYR 279 Cb -0.20 -4.12 0.13 0.00 0.35 0.00 0.00 41.96 38.12 1xya s TYR 279 CO 0.76 -4.04 1.06 0.39 -1.34 0.00 0.00 175.55 172.38 1xya n GLU 280 N 3.14 2.50 -1.30 4.97 1.02 -1.26 -4.92 120.64 124.78 1xya n GLU 280 Ca 0.12 -1.63 -0.17 0.00 -0.02 0.00 0.00 57.16 55.47 1xya n GLU 280 Cb 0.36 -1.12 0.11 0.00 -0.02 0.00 0.00 31.44 30.77 1xya n GLU 280 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xya n GLY 281 N 0.02 -0.85 3.75 0.62 0.00 -1.26 -5.03 105.19 102.44 1xya n GLY 281 Ca 0.05 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 1xya n GLY 281 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xya n PRO 282 N -2.55 2.04 -3.32 1.61 -0.02 -1.26 -4.96 135.00 126.55 1xya n PRO 282 Ca 0.10 0.73 -0.47 0.00 -2.02 0.00 0.00 63.50 61.85 1xya n PRO 282 Cb 0.35 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.22 1xya n PRO 282 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1xya s ARG 283 N -2.55 3.40 -0.14 -0.52 3.00 0.16 -4.41 118.95 117.89 1xya s ARG 283 Ca 0.64 -2.20 -0.09 0.00 0.00 0.00 0.00 55.73 54.08 1xya s ARG 283 Cb -0.45 -4.39 -0.05 0.00 0.00 0.00 0.00 34.95 30.07 1xya s ARG 283 CO 0.55 -1.31 0.17 -1.58 0.00 0.00 0.00 175.30 173.13 1xya s HIS 284 N 0.68 3.54 -0.25 -0.53 2.46 -1.22 -1.57 115.29 118.39 1xya s HIS 284 Ca 0.13 0.51 -0.06 0.00 0.47 0.00 0.00 55.06 56.11 1xya s HIS 284 Cb -0.17 -2.08 -0.01 0.00 -0.13 0.00 0.00 32.58 30.19 1xya s HIS 284 CO -0.05 0.54 0.04 -0.06 -2.47 0.00 0.00 174.74 172.74 1xya s PHE 285 N -0.44 3.07 -0.60 3.88 0.08 -0.38 -0.01 117.98 123.58 1xya s PHE 285 Ca 0.14 -0.72 -0.01 0.00 0.12 0.00 0.00 56.93 56.46 1xya s PHE 285 Cb -0.12 -2.20 0.15 0.00 -0.57 0.00 0.00 43.02 40.28 1xya s PHE 285 CO 0.03 -0.47 0.39 0.34 -0.10 0.00 0.00 175.22 175.40 1xya s ASP 286 N 1.54 4.94 0.24 1.36 2.15 -0.90 -3.59 116.67 122.42 1xya s ASP 286 Ca 0.05 -2.93 0.01 0.00 0.43 0.00 0.00 52.55 50.11 1xya s ASP 286 Cb -0.15 -1.79 -0.03 0.00 -0.30 0.00 0.00 42.92 40.65 1xya s ASP 286 CO 0.01 -0.32 0.19 0.72 -0.17 0.00 0.00 175.17 175.61 1xya s PHE 287 N -0.17 1.28 -0.09 -5.34 -0.71 -1.26 -4.59 117.98 107.09 1xya s PHE 287 Ca 0.17 -1.42 -0.00 0.00 -1.04 0.00 0.00 56.93 54.64 1xya s PHE 287 Cb -0.22 -0.55 0.02 0.00 -1.21 0.00 0.00 43.02 41.06 1xya s PHE 287 CO -0.02 -0.73 -0.05 0.15 -1.34 0.00 0.00 175.22 173.22 1xya s LYS 288 N -3.94 1.23 0.10 1.99 1.02 0.54 -4.36 119.74 116.32 1xya s LYS 288 Ca 0.38 -0.15 -0.33 0.00 0.02 0.00 0.00 55.97 55.89 1xya s LYS 288 Cb 0.05 -1.35 -0.13 0.00 -0.52 0.00 0.00 37.83 35.88 1xya s LYS 288 CO 0.16 -0.25 1.71 -2.30 -0.92 0.00 0.00 175.35 173.76 1xya n PRO 289 N 4.88 2.34 -1.49 -1.68 -0.02 -1.26 -4.62 135.00 133.14 1xya n PRO 289 Ca -0.12 0.85 -0.40 0.00 -2.02 0.00 0.00 63.50 61.80 1xya n PRO 289 Cb 0.50 -2.67 0.02 0.00 -0.02 0.00 0.00 33.50 31.33 1xya n PRO 289 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xya n PRO 290 N 4.66 0.69 0.00 0.52 -0.02 -1.26 -4.85 135.00 134.75 1xya n PRO 290 Ca 0.18 0.26 0.12 0.00 -2.02 0.00 0.00 63.50 62.04 1xya n PRO 290 Cb 0.31 -1.67 0.63 0.00 -0.02 0.00 0.00 33.50 32.75 1xya n PRO 290 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1xya n ARG 291 N 0.29 0.44 0.29 -0.52 1.85 -1.26 -1.68 116.66 116.07 1xya n ARG 291 Ca 0.11 0.05 0.19 0.00 -1.00 0.00 0.00 57.85 57.20 1xya n ARG 291 Cb 0.42 -1.50 0.84 0.00 -1.05 0.00 0.00 32.46 31.17 1xya n ARG 291 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1xya h THR 292 N 0.00 0.03 -3.34 8.89 1.35 -1.97 -3.45 112.91 114.43 1xya h THR 292 Ca 0.00 -0.38 -0.56 0.00 -0.55 0.00 0.00 66.41 64.92 1xya h THR 292 Cb 0.17 1.37 -0.04 0.00 -1.73 0.00 0.00 68.15 67.92 1xya h THR 292 CO 0.00 0.01 -0.05 -1.61 -0.25 0.00 0.00 175.52 173.62 1xya s GLU 293 N -3.82 4.05 0.40 4.72 0.41 -0.68 -5.12 118.70 118.66 1xya s GLU 293 Ca -0.01 0.58 -0.04 0.00 -0.41 0.00 0.00 54.97 55.09 1xya s GLU 293 Cb 0.10 -2.97 0.09 0.00 -1.78 0.00 0.00 34.13 29.57 1xya s GLU 293 CO 0.51 0.49 0.55 -0.40 -0.49 0.00 0.00 175.26 175.92 1xya n ASP 294 N 0.94 0.35 0.23 -0.19 5.68 -1.26 -4.86 116.55 117.45 1xya n ASP 294 Ca -0.06 -1.39 0.08 0.00 -0.50 0.00 0.00 54.79 52.92 1xya n ASP 294 Cb 0.52 -0.39 0.57 0.00 -1.14 0.00 0.00 41.12 40.67 1xya n ASP 294 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1xya h ILE 295 N -0.91 0.93 -0.25 2.12 6.09 -1.99 -1.45 117.51 122.04 1xya h ILE 295 Ca -0.18 -0.69 -0.09 0.00 -1.37 0.00 0.00 64.86 62.53 1xya h ILE 295 Cb 0.57 1.40 -0.01 0.00 0.47 0.00 0.00 36.82 39.24 1xya h ILE 295 CO 0.16 0.18 -0.22 0.44 -3.07 0.00 0.00 178.15 175.64 1xya h ASP 296 N 0.00 0.47 0.66 2.19 3.32 -2.00 -1.82 116.42 119.24 1xya h ASP 296 Ca -0.00 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 1xya h ASP 296 Cb 0.38 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1xya h ASP 296 CO 0.02 0.70 -0.51 1.23 -1.72 0.00 0.00 179.24 178.96 1xya h GLY 297 N 0.99 0.00 0.89 2.75 0.00 -1.65 -1.10 103.07 104.96 1xya h GLY 297 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 1xya h GLY 297 CO 0.04 0.00 0.05 -2.08 0.00 0.00 0.00 176.54 174.55 1xya h VAL 298 N 0.00 1.24 -0.09 4.60 2.07 -0.62 -0.87 116.25 122.57 1xya h VAL 298 Ca -0.01 -0.82 -0.15 0.00 0.82 0.00 0.00 66.70 66.55 1xya h VAL 298 Cb 0.98 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1xya h VAL 298 CO 0.07 0.27 -0.59 -0.50 0.02 0.00 0.00 177.57 176.84 1xya h TRP 299 N 0.34 0.37 -0.76 1.57 -0.00 -1.28 -1.32 115.95 114.86 1xya h TRP 299 Ca 0.09 -0.14 -0.04 0.00 -0.00 0.00 0.00 58.89 58.81 1xya h TRP 299 Cb 0.35 -0.07 -0.03 0.00 -0.00 0.00 0.00 29.16 29.41 1xya h TRP 299 CO 0.02 0.81 0.33 0.00 -0.00 0.00 0.00 178.44 179.60 1xya h ALA 300 N 1.16 0.99 -0.45 1.49 0.00 -1.03 -1.60 119.26 119.83 1xya h ALA 300 Ca -0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1xya h ALA 300 Cb 1.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1xya h ALA 300 CO 0.09 0.59 -0.06 1.03 0.00 0.00 0.00 179.25 180.90 1xya h SER 301 N 1.09 0.83 -0.70 0.00 0.87 -0.91 -1.61 113.55 113.12 1xya h SER 301 Ca 0.26 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1xya h SER 301 Cb 0.18 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1xya h SER 301 CO -0.03 0.97 0.38 0.00 -0.53 0.00 0.00 176.83 177.62 1xya h ALA 302 N 0.88 0.89 -0.68 6.23 0.00 -1.09 -2.51 119.26 122.98 1xya h ALA 302 Ca 0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1xya h ALA 302 Cb 0.59 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1xya h ALA 302 CO 0.04 0.41 0.22 0.00 0.00 0.00 0.00 179.25 179.91 1xya h ALA 303 N 1.19 0.89 -1.01 0.00 0.00 -1.25 -2.92 119.26 116.16 1xya h ALA 303 Ca 0.24 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1xya h ALA 303 Cb 0.04 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 1xya h ALA 303 CO -0.04 0.56 0.65 0.78 0.00 0.00 0.00 179.25 181.20 1xya h GLY 304 N 0.99 1.56 0.09 0.00 0.00 -1.08 -1.36 103.07 103.27 1xya h GLY 304 Ca 0.22 -0.46 0.06 0.00 0.00 0.00 0.00 47.33 47.14 1xya h GLY 304 CO -0.01 0.30 -0.31 0.00 0.00 0.00 0.00 176.54 176.52 1xya h MET 306 N -0.34 0.14 -0.40 0.00 2.86 -1.52 -2.82 114.93 112.83 1xya h MET 306 Ca 0.12 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.81 1xya h MET 306 Cb 0.53 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.10 1xya h MET 306 CO -0.39 0.29 -0.05 -0.09 1.06 0.00 0.00 176.91 177.73 1xya h ARG 307 N -0.05 0.05 -0.85 1.72 2.43 -1.03 -1.49 114.38 115.16 1xya h ARG 307 Ca 0.03 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1xya h ARG 307 Cb 0.21 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1xya h ARG 307 CO -0.00 0.03 0.49 -0.91 -1.51 0.00 0.00 179.97 178.07 1xya h ASN 308 N 0.05 1.05 -0.24 -3.80 -0.26 -1.05 0.81 115.58 112.14 1xya h ASN 308 Ca 0.20 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 1xya h ASN 308 Cb 0.29 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1xya h ASN 308 CO -0.37 0.83 0.11 0.22 -1.06 0.00 0.00 177.43 177.16 1xya h TYR 309 N 1.18 0.35 -0.22 1.19 5.03 -1.22 -0.45 116.97 122.83 1xya h TYR 309 Ca 0.30 -0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.50 1xya h TYR 309 Cb -0.00 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.15 1xya h TYR 309 CO 0.00 0.36 -0.24 -0.07 -1.32 0.00 0.00 178.16 176.89 1xya h LEU 310 N 0.25 0.41 -0.21 2.82 3.38 -0.68 0.36 115.31 121.64 1xya h LEU 310 Ca 0.08 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1xya h LEU 310 Cb 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1xya h LEU 310 CO -0.01 0.65 -0.10 0.40 0.09 0.00 0.00 178.44 179.48 1xya h ILE 311 N 0.37 1.30 -0.14 1.22 2.04 -0.68 -2.33 117.51 119.28 1xya h ILE 311 Ca 0.06 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.71 1xya h ILE 311 Cb 0.63 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1xya h ILE 311 CO 0.04 0.35 -0.15 -0.07 0.00 0.00 0.00 178.15 178.32 1xya h LEU 312 N 0.14 0.21 -0.39 1.44 3.38 -0.79 -0.65 115.31 118.65 1xya h LEU 312 Ca 0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1xya h LEU 312 Cb 0.58 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1xya h LEU 312 CO 0.03 0.39 0.16 0.50 0.09 0.00 0.00 178.44 179.60 1xya h LYS 313 N 0.21 0.58 -0.24 1.13 3.64 -0.81 0.12 116.57 121.21 1xya h LYS 313 Ca 0.04 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1xya h LYS 313 Cb 0.40 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1xya h LYS 313 CO 0.02 0.55 0.03 1.49 -2.27 0.00 0.00 179.45 179.28 1xya h GLU 314 N 0.49 0.40 -0.45 1.90 4.81 -0.95 -1.60 114.58 119.17 1xya h GLU 314 Ca 0.13 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1xya h GLU 314 Cb 0.18 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1xya h GLU 314 CO -0.01 0.54 0.02 0.00 -0.73 0.00 0.00 179.01 178.82 1xya h ARG 315 N 0.20 0.72 -0.30 1.92 2.47 -0.90 -2.07 114.38 116.43 1xya h ARG 315 Ca 0.07 -0.18 -0.15 0.00 -1.26 0.00 0.00 59.98 58.46 1xya h ARG 315 Cb 0.34 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1xya h ARG 315 CO 0.01 0.73 -0.41 0.00 0.56 0.00 0.00 179.97 180.85 1xya h ALA 316 N 1.33 0.45 -0.49 0.04 0.00 -0.69 -1.82 119.26 118.10 1xya h ALA 316 Ca 0.14 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1xya h ALA 316 Cb 0.40 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1xya h ALA 316 CO 0.01 0.56 0.28 0.00 0.00 0.00 0.00 179.25 180.10 1xya h ALA 317 N 0.69 0.62 -0.89 0.00 0.00 -1.19 -2.10 119.26 116.40 1xya h ALA 317 Ca 0.03 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xya h ALA 317 Cb 1.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1xya h ALA 317 CO 0.10 -0.04 0.59 0.00 0.00 0.00 0.00 179.25 179.89 1xya h ALA 318 N 1.23 1.12 0.12 0.00 0.00 -1.28 -1.69 119.26 118.76 1xya h ALA 318 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xya h ALA 318 Cb 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1xya h ALA 318 CO -0.10 0.52 -0.11 0.35 0.00 0.00 0.00 179.25 179.91 1xya h PHE 319 N 1.20 -0.28 0.00 0.00 3.57 -1.12 -1.95 116.94 118.36 1xya h PHE 319 Ca 0.33 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 1xya h PHE 319 Cb -0.14 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1xya h PHE 319 CO -0.01 -0.17 -0.25 0.00 -2.23 0.00 0.00 178.31 175.65 1xya h ARG 320 N -0.25 0.00 0.00 1.11 2.47 -1.24 -3.04 114.38 113.43 1xya h ARG 320 Ca 0.00 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.64 1xya h ARG 320 Cb 0.23 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1xya h ARG 320 CO -0.02 0.25 -0.67 0.00 0.56 0.00 0.00 179.97 180.10 1xya h ALA 321 N 1.75 0.71 -2.26 0.04 0.00 -1.19 -3.44 119.26 114.87 1xya h ALA 321 Ca -0.00 -0.35 -0.54 0.00 0.00 0.00 0.00 54.91 54.01 1xya h ALA 321 Cb 0.69 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xya h ALA 321 CO 0.03 0.44 1.27 0.34 0.00 0.00 0.00 179.25 181.33 1xya s ASP 322 N -6.07 6.26 0.40 0.00 -1.08 -0.75 -4.93 116.67 110.52 1xya s ASP 322 Ca 0.02 2.45 0.13 0.00 -0.52 0.00 0.00 52.55 54.64 1xya s ASP 322 Cb 0.08 -2.53 0.97 0.00 -1.46 0.00 0.00 42.92 39.97 1xya s ASP 322 CO 0.75 -1.23 1.92 -0.65 0.52 0.00 0.00 175.17 176.47 1xya h PRO 323 N 11.42 0.50 -0.17 4.34 0.11 -1.90 0.13 132.00 146.43 1xya h PRO 323 Ca -0.47 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 1xya h PRO 323 Cb 1.23 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1xya h PRO 323 CO 0.95 0.33 -0.35 1.49 -0.21 0.00 0.00 178.00 180.21 1xya h GLU 324 N 0.51 0.34 -0.27 1.05 4.81 -1.95 -1.20 114.58 117.86 1xya h GLU 324 Ca 0.37 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 59.30 1xya h GLU 324 Cb 0.73 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1xya h GLU 324 CO -0.13 0.65 -0.42 0.28 -0.73 0.00 0.00 179.01 178.66 1xya h VAL 325 N 0.29 1.30 -0.56 0.32 2.07 -1.28 -0.89 116.25 117.50 1xya h VAL 325 Ca 0.03 -1.62 0.03 0.00 0.82 0.00 0.00 66.70 65.97 1xya h VAL 325 Cb 0.76 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1xya h VAL 325 CO 0.06 0.52 0.37 1.56 0.02 0.00 0.00 177.57 180.10 1xya h GLN 326 N 0.52 0.64 -0.25 1.57 1.08 -1.16 0.15 115.11 117.67 1xya h GLN 326 Ca 0.02 -0.04 -0.15 0.00 -1.45 0.00 0.00 58.65 57.04 1xya h GLN 326 Cb 1.02 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.31 1xya h GLN 326 CO 0.10 0.42 -0.43 1.49 -0.95 0.00 0.00 178.83 179.47 1xya h GLU 327 N 0.66 0.72 -0.02 1.46 4.81 -1.12 -2.53 114.58 118.57 1xya h GLU 327 Ca 0.23 -0.45 -0.08 0.00 -0.13 0.00 0.00 59.36 58.93 1xya h GLU 327 Cb 0.08 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1xya h GLU 327 CO -0.06 1.07 -0.36 0.00 -0.73 0.00 0.00 179.01 178.93 1xya h ALA 328 N 0.64 1.36 -0.39 2.92 0.00 -0.41 -1.17 119.26 122.22 1xya h ALA 328 Ca 0.02 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1xya h ALA 328 Cb 1.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1xya h ALA 328 CO 0.10 0.47 -0.34 -0.07 0.00 0.00 0.00 179.25 179.40 1xya h LEU 329 N 0.03 0.95 -0.56 0.00 3.38 -0.59 -1.67 115.31 116.85 1xya h LEU 329 Ca 0.00 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1xya h LEU 329 Cb 0.66 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1xya h LEU 329 CO 0.05 1.19 0.19 0.03 0.09 0.00 0.00 178.44 179.99 1xya h ARG 330 N 0.74 0.86 -0.37 1.13 3.08 -1.23 -1.39 114.38 117.20 1xya h ARG 330 Ca 0.07 -0.18 0.03 0.00 0.07 0.00 0.00 59.98 59.97 1xya h ARG 330 Cb 0.92 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1xya h ARG 330 CO 0.09 0.77 0.25 0.00 -1.07 0.00 0.00 179.97 180.01 1xya h ALA 331 N 1.05 1.87 -0.41 0.04 0.00 -1.03 -2.08 119.26 118.68 1xya h ALA 331 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xya h ALA 331 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xya h ALA 331 CO -0.01 0.09 0.00 0.43 0.00 0.00 0.00 179.25 179.76 1xya n SER 332 N -4.48 2.41 -3.51 0.00 7.64 -0.64 -4.78 113.62 110.24 1xya n SER 332 Ca 0.04 -1.96 -0.25 0.00 1.01 0.00 0.00 58.87 57.70 1xya n SER 332 Cb 0.16 -0.28 0.04 0.00 -1.01 0.00 0.00 64.21 63.12 1xya n SER 332 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xya n ARG 333 N 0.81 -5.92 0.22 1.43 3.00 -0.78 -4.92 116.66 110.50 1xya n ARG 333 Ca 0.16 0.74 0.09 0.00 -0.01 0.00 0.00 57.85 58.83 1xya n ARG 333 Cb 0.39 -5.66 0.49 0.00 0.00 0.00 0.00 32.46 27.68 1xya n ARG 333 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1xya h LEU 334 N -1.98 0.00 -0.54 0.55 3.38 -1.50 -2.41 115.31 112.81 1xya h LEU 334 Ca -0.55 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.27 1xya h LEU 334 Cb 1.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1xya h LEU 334 CO 0.59 0.25 -0.47 -2.24 0.09 0.00 0.00 178.44 176.66 1xya h ASP 335 N 0.00 0.69 0.83 -0.43 2.03 -1.88 -3.20 116.42 114.45 1xya h ASP 335 Ca -0.00 -0.34 -0.07 0.00 -0.73 0.00 0.00 57.03 55.89 1xya h ASP 335 Cb 0.67 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.97 1xya h ASP 335 CO 0.03 1.05 -0.32 -0.08 -1.03 0.00 0.00 179.24 178.90 1xya h GLU 336 N 0.51 0.00 0.00 4.15 4.81 -1.83 -2.56 114.58 119.66 1xya h GLU 336 Ca 0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1xya h GLU 336 Cb 1.01 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 1xya h GLU 336 CO 0.09 0.32 -0.11 1.25 -0.73 0.00 0.00 179.01 179.83 1xya h LEU 337 N 0.00 0.00 -0.03 1.64 5.85 -1.44 -2.54 115.31 118.79 1xya h LEU 337 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xya h LEU 337 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1xya h LEU 337 CO 0.04 0.11 0.00 0.00 -0.34 0.00 0.00 178.44 178.25 1xya n ALA 338 N -2.44 2.25 -2.10 1.25 0.00 -0.96 -4.77 120.51 113.74 1xya n ALA 338 Ca -0.02 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 1xya n ALA 338 Cb 0.19 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 1xya n ALA 338 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xya s GLN 339 N -3.07 4.74 0.31 0.00 -0.21 -0.96 -5.01 119.66 115.47 1xya s GLN 339 Ca 0.12 1.45 -0.29 0.00 0.02 0.00 0.00 55.36 56.65 1xya s GLN 339 Cb 0.15 -3.34 -0.12 0.00 1.00 0.00 0.00 33.01 30.69 1xya s GLN 339 CO 0.55 0.32 1.39 -2.30 -2.12 0.00 0.00 175.29 173.13 1xya n PRO 340 N 2.34 2.24 -0.29 2.91 -0.02 -1.26 -4.92 135.00 135.99 1xya n PRO 340 Ca 0.01 0.79 -0.03 0.00 -2.02 0.00 0.00 63.50 62.24 1xya n PRO 340 Cb 0.48 -2.44 0.08 0.00 -0.02 0.00 0.00 33.50 31.61 1xya n PRO 340 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1xya h THR 341 N 2.84 1.18 -0.90 3.45 2.02 -1.94 -3.40 112.91 116.16 1xya h THR 341 Ca -0.46 -0.36 -0.22 0.00 0.77 0.00 0.00 66.41 66.13 1xya h THR 341 Cb 1.27 0.03 -0.18 0.00 -1.74 0.00 0.00 68.15 67.53 1xya h THR 341 CO 0.69 0.19 -0.56 0.00 0.37 0.00 0.00 175.52 176.21 1xya n ALA 342 N -2.32 -1.19 0.21 6.16 0.00 -1.26 -4.99 120.51 117.12 1xya n ALA 342 Ca 0.09 -1.39 0.08 0.00 0.00 0.00 0.00 53.44 52.21 1xya n ALA 342 Cb 0.04 -1.37 0.42 0.00 0.00 0.00 0.00 19.45 18.54 1xya n ALA 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xya h ALA 343 N 4.76 1.04 -0.30 0.00 0.00 -1.99 -2.87 119.26 119.89 1xya h ALA 343 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xya h ALA 343 Cb 1.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1xya h ALA 343 CO 0.14 0.37 0.00 -0.25 0.00 0.00 0.00 179.25 179.51 1xya n ASP 344 N -3.50 3.05 0.00 0.00 8.00 -1.26 -5.02 116.55 117.83 1xya n ASP 344 Ca -0.00 -2.37 0.00 0.00 0.71 0.00 0.00 54.79 53.13 1xya n ASP 344 Cb 0.45 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1xya n ASP 344 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xya n GLY 345 N 0.46 -0.66 0.32 0.44 0.00 -1.09 -4.14 105.19 100.52 1xya n GLY 345 Ca 0.13 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.40 1xya n GLY 345 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1xya h VAL 346 N 0.00 1.23 0.00 1.61 3.04 -1.95 -2.23 116.25 117.95 1xya h VAL 346 Ca 0.00 -0.79 -0.11 0.00 -1.01 0.00 0.00 66.70 64.79 1xya h VAL 346 Cb 0.00 0.54 -0.02 0.00 -2.01 0.00 0.00 31.29 29.80 1xya h VAL 346 CO 0.00 0.31 -0.54 1.56 -1.01 0.00 0.00 177.57 177.89 1xya h GLN 347 N 0.92 0.00 0.51 4.17 1.08 -1.99 -0.60 115.11 119.19 1xya h GLN 347 Ca 0.21 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.39 1xya h GLN 347 Cb 0.25 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1xya h GLN 347 CO -0.01 0.54 -0.34 1.49 -0.95 0.00 0.00 178.83 179.55 1xya h GLU 348 N 0.00 -0.79 -0.72 1.46 4.81 -1.64 -2.09 114.58 115.60 1xya h GLU 348 Ca -0.01 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1xya h GLU 348 Cb 1.04 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 1xya h GLU 348 CO 0.07 -0.53 0.43 1.25 -0.73 0.00 0.00 179.01 179.50 1xya h LEU 349 N -0.82 0.67 -1.38 1.64 5.85 -1.24 -2.04 115.31 117.99 1xya h LEU 349 Ca -0.06 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1xya h LEU 349 Cb 0.69 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1xya h LEU 349 CO 0.04 0.44 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.20 1xya h LEU 350 N 0.80 0.00 -0.14 2.25 3.38 -1.07 -2.85 115.31 117.68 1xya h LEU 350 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1xya h LEU 350 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xya h LEU 350 CO -0.16 0.31 -0.18 0.00 0.09 0.00 0.00 178.44 178.50 1xya n ALA 351 N -2.43 2.86 -2.70 1.53 0.00 -0.79 -4.77 120.51 114.21 1xya n ALA 351 Ca -0.02 -0.26 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 1xya n ALA 351 Cb 0.37 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 1xya n ALA 351 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xya s ASP 352 N -2.71 6.28 0.51 0.00 2.15 -0.92 -4.93 116.67 117.05 1xya s ASP 352 Ca 0.21 -0.64 0.29 0.00 0.43 0.00 0.00 52.55 52.83 1xya s ASP 352 Cb 0.19 -2.35 1.35 0.00 -0.30 0.00 0.00 42.92 41.81 1xya s ASP 352 CO 0.54 -1.00 2.01 0.03 -0.17 0.00 0.00 175.17 176.58 1xya h ARG 353 N 9.09 0.00 0.00 4.34 3.08 -1.86 -2.51 114.38 126.52 1xya h ARG 353 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1xya h ARG 353 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1xya h ARG 353 CO 1.00 0.13 0.00 0.25 -1.07 0.00 0.00 179.97 180.28 1xya n THR 354 N -3.44 0.75 0.99 2.04 -2.24 -1.26 0.24 114.28 111.35 1xya n THR 354 Ca -0.01 0.04 0.13 0.00 -2.27 0.00 0.00 64.05 61.95 1xya n THR 354 Cb 0.30 -0.97 0.52 0.00 -2.10 0.00 0.00 70.33 68.08 1xya n THR 354 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xya n ALA 355 N -1.79 2.65 0.06 6.98 0.00 -0.95 -3.49 120.51 123.97 1xya n ALA 355 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1xya n ALA 355 Cb 0.30 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1xya n ALA 355 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xya n PHE 356 N -1.52 -2.64 -0.06 0.00 7.35 -0.93 -4.81 117.46 114.85 1xya n PHE 356 Ca 0.07 0.36 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 1xya n PHE 356 Cb 0.34 1.25 0.29 0.00 0.35 0.00 0.00 39.48 41.71 1xya n PHE 356 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1xya h GLU 357 N 0.00 0.67 -0.16 -4.13 3.07 -1.75 -3.18 114.58 109.09 1xya h GLU 357 Ca 0.00 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1xya h GLU 357 Cb 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 1xya h GLU 357 CO 0.00 0.58 0.00 -0.25 -1.40 0.00 0.00 179.01 177.94 1xya n ASP 358 N -4.33 2.36 -4.71 1.42 8.00 0.14 -5.01 116.55 114.42 1xya n ASP 358 Ca 0.03 -1.90 -0.42 0.00 0.71 0.00 0.00 54.79 53.21 1xya n ASP 358 Cb 0.18 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 1xya n ASP 358 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1xya s PHE 359 N -0.93 3.22 -0.62 1.24 5.36 -1.20 -4.84 117.98 120.21 1xya s PHE 359 Ca 0.12 1.08 -0.22 0.00 -0.96 0.00 0.00 56.93 56.94 1xya s PHE 359 Cb 0.06 -3.55 0.07 0.00 -0.34 0.00 0.00 43.02 39.26 1xya s PHE 359 CO 0.08 -1.87 0.89 0.34 -1.46 0.00 0.00 175.22 173.20 1xya s ASP 360 N 1.31 6.21 0.25 6.13 -1.08 -1.26 -4.88 116.67 123.35 1xya s ASP 360 Ca 0.61 -0.93 0.01 0.00 -0.52 0.00 0.00 52.55 51.72 1xya s ASP 360 Cb -0.31 -2.39 0.31 0.00 -1.46 0.00 0.00 42.92 39.06 1xya s ASP 360 CO 0.28 -1.31 1.66 1.62 0.52 0.00 0.00 175.17 177.94 1xya h VAL 361 N 5.96 1.28 -0.01 1.11 3.04 -1.96 -2.41 116.25 123.27 1xya h VAL 361 Ca -0.28 -1.42 -0.18 0.00 -1.01 0.00 0.00 66.70 63.80 1xya h VAL 361 Cb 1.08 1.45 -0.01 0.00 -2.01 0.00 0.00 31.29 31.79 1xya h VAL 361 CO 1.13 0.45 -0.81 0.44 -1.01 0.00 0.00 177.57 177.78 1xya h ASP 362 N 0.44 0.19 0.07 3.17 3.32 -1.98 0.01 116.42 121.64 1xya h ASP 362 Ca 0.05 -0.14 -0.19 0.00 0.02 0.00 0.00 57.03 56.77 1xya h ASP 362 Cb 0.78 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1xya h ASP 362 CO 0.06 0.92 -0.71 0.00 -1.72 0.00 0.00 179.24 177.79 1xya h ALA 363 N 1.07 0.52 -0.46 3.45 0.00 -1.95 -2.36 119.26 119.54 1xya h ALA 363 Ca -0.03 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 1xya h ALA 363 Cb 1.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1xya h ALA 363 CO 0.12 0.72 -0.19 0.00 0.00 0.00 0.00 179.25 179.90 1xya h ALA 364 N 0.81 0.64 -0.05 0.00 0.00 -1.37 -2.99 119.26 116.31 1xya h ALA 364 Ca -0.03 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1xya h ALA 364 Cb 1.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1xya h ALA 364 CO 0.13 0.60 -0.21 0.00 0.00 0.00 0.00 179.25 179.78 1xya h ALA 365 N 0.86 1.57 -0.00 0.00 0.00 -0.89 -2.96 119.26 117.83 1xya h ALA 365 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xya h ALA 365 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1xya h ALA 365 CO 0.06 0.32 -0.12 0.00 0.00 0.00 0.00 179.25 179.51 1xya n ALA 366 N -2.49 2.70 -2.16 0.00 0.00 -0.90 -4.82 120.51 112.84 1xya n ALA 366 Ca -0.02 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1xya n ALA 366 Cb 0.29 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 1xya n ALA 366 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xya s ARG 367 N -2.79 4.27 0.50 0.00 0.52 -1.12 -5.00 118.95 115.33 1xya s ARG 367 Ca 0.20 2.04 -0.18 0.00 -0.52 0.00 0.00 55.73 57.28 1xya s ARG 367 Cb 0.19 -3.57 -0.08 0.00 0.52 0.00 0.00 34.95 32.01 1xya s ARG 367 CO 0.54 -0.60 0.99 0.20 0.02 0.00 0.00 175.30 176.44 1xya s GLY 368 N 1.96 2.18 0.26 -3.53 0.00 -1.26 -4.96 107.32 101.96 1xya s GLY 368 Ca 0.66 0.29 0.24 0.00 0.00 0.00 0.00 44.72 45.91 1xya s GLY 368 CO 0.28 0.58 1.53 -0.33 0.00 0.00 0.00 173.10 175.16 1xya h MET 369 N 1.12 0.00 -4.74 2.90 0.00 -1.94 -3.48 114.93 108.80 1xya h MET 369 Ca -0.47 0.00 -0.39 0.00 0.00 0.00 0.00 59.70 58.83 1xya h MET 369 Cb 1.19 0.00 0.01 0.00 0.00 0.00 0.00 31.60 32.80 1xya h MET 369 CO 0.61 0.00 -0.58 0.00 0.00 0.00 0.00 176.91 176.94 1xya n ALA 370 N -1.94 -0.99 0.11 6.32 0.00 -1.26 -4.10 120.51 118.65 1xya n ALA 370 Ca 0.04 0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.66 1xya n ALA 370 Cb 0.48 -3.41 0.06 0.00 0.00 0.00 0.00 19.45 16.57 1xya n ALA 370 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1xya h PHE 371 N -1.17 0.00 -0.25 0.00 0.04 -1.96 -2.94 116.94 110.65 1xya h PHE 371 Ca -0.49 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.10 1xya h PHE 371 Cb 1.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.49 1xya h PHE 371 CO 0.58 0.76 -0.54 0.93 -0.60 0.00 0.00 178.31 179.44 1xya h GLU 372 N 0.00 0.82 -0.77 1.51 4.39 -1.98 -1.31 114.58 117.23 1xya h GLU 372 Ca -0.01 -0.54 -0.03 0.00 0.34 0.00 0.00 59.36 59.13 1xya h GLU 372 Cb 1.35 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 30.04 1xya h GLU 372 CO 0.10 1.17 0.37 -0.09 -1.16 0.00 0.00 179.01 179.39 1xya h ARG 373 N 0.58 1.10 -0.44 2.33 9.65 -1.99 -0.66 114.38 124.95 1xya h ARG 373 Ca 0.00 -0.16 -0.12 0.00 -1.10 0.00 0.00 59.98 58.60 1xya h ARG 373 Cb 1.15 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.52 1xya h ARG 373 CO 0.12 0.85 -0.21 1.25 2.80 0.00 0.00 179.97 184.77 1xya h LEU 374 N 1.10 0.94 -1.07 3.80 5.85 -1.42 -2.21 115.31 122.31 1xya h LEU 374 Ca 0.27 -0.40 -0.10 0.00 0.84 0.00 0.00 57.88 58.49 1xya h LEU 374 Cb 0.11 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1xya h LEU 374 CO -0.03 1.14 -0.42 -0.78 -0.34 0.00 0.00 178.44 178.01 1xya h ASP 375 N 0.75 0.11 0.33 1.25 3.58 -0.99 -1.84 116.42 119.61 1xya h ASP 375 Ca 0.10 -0.04 -0.19 0.00 0.42 0.00 0.00 57.03 57.32 1xya h ASP 375 Cb 0.79 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 1xya h ASP 375 CO 0.06 0.51 -0.76 -0.61 -2.88 0.00 0.00 179.24 175.56 1xya h GLN 376 N 0.09 0.35 -0.80 0.28 5.75 -0.87 -0.26 115.11 119.65 1xya h GLN 376 Ca 0.01 -0.30 0.01 0.00 -0.15 0.00 0.00 58.65 58.21 1xya h GLN 376 Cb 0.77 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.35 1xya h GLN 376 CO 0.06 0.96 0.52 -0.07 -2.65 0.00 0.00 178.83 177.65 1xya h LEU 377 N 0.23 0.92 -0.62 -2.39 3.38 -1.15 0.20 115.31 115.88 1xya h LEU 377 Ca -0.04 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1xya h LEU 377 Cb 1.35 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1xya h LEU 377 CO 0.13 0.67 -0.22 0.00 0.09 0.00 0.00 178.44 179.11 1xya h ALA 378 N 1.49 0.81 -0.38 1.53 0.00 -1.09 -1.69 119.26 119.94 1xya h ALA 378 Ca 0.29 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1xya h ALA 378 Cb -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1xya h ALA 378 CO -0.06 0.65 0.06 1.98 0.00 0.00 0.00 179.25 181.88 1xya h MET 379 N 0.75 0.62 -0.78 0.00 1.85 -0.46 -1.71 114.93 115.21 1xya h MET 379 Ca 0.10 -0.17 -0.01 0.00 -0.61 0.00 0.00 59.70 59.02 1xya h MET 379 Cb 0.76 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.68 1xya h MET 379 CO 0.06 0.68 0.45 -0.44 -0.40 0.00 0.00 176.91 177.27 1xya h ASP 380 N 0.47 0.95 -0.54 1.39 3.32 -0.49 -2.03 116.42 119.48 1xya h ASP 380 Ca 0.11 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1xya h ASP 380 Cb 0.36 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1xya h ASP 380 CO 0.01 0.75 0.13 0.45 -1.72 0.00 0.00 179.24 178.85 1xya h HIS 381 N 1.07 0.91 -0.71 4.55 3.86 -1.15 0.11 115.15 123.80 1xya h HIS 381 Ca 0.28 -0.11 0.01 0.00 -1.16 0.00 0.00 60.37 59.38 1xya h HIS 381 Cb -0.01 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.17 1xya h HIS 381 CO -0.00 0.80 0.46 1.25 0.86 0.00 0.00 177.93 181.30 1xya h LEU 382 N 0.77 0.81 -0.50 2.43 5.85 -1.07 -2.17 115.31 121.43 1xya h LEU 382 Ca 0.17 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1xya h LEU 382 Cb 0.35 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1xya h LEU 382 CO 0.00 0.59 0.00 0.18 -0.34 0.00 0.00 178.44 178.88 1xya n LEU 383 N -4.59 0.76 -1.69 2.25 4.77 -0.78 -4.89 117.00 112.82 1xya n LEU 383 Ca 0.06 -0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 55.60 1xya n LEU 383 Cb 0.02 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1xya n LEU 383 CO 0.36 0.14 -0.19 0.61 -1.33 0.00 0.00 177.39 176.98 1xya n GLY 384 N 1.01 -0.07 2.17 -0.72 0.00 -0.82 -4.87 105.19 101.90 1xya n GLY 384 Ca 0.18 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 1xya n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xya n ALA 385 N -1.43 5.44 0.00 4.61 0.00 0.34 -5.02 120.51 124.46 1xya n ALA 385 Ca -0.18 -2.76 0.00 0.00 0.00 0.00 0.00 53.44 50.50 1xya n ALA 385 Cb 0.62 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1xya n ALA 385 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37