#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xac s LYS 2 N 0.00 3.52 -0.19 2.12 2.20 -1.26 -0.68 119.74 125.45 1xac s LYS 2 Ca 0.00 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.17 1xac s LYS 2 Cb 0.00 -3.82 0.03 0.00 -1.51 0.00 0.00 37.83 32.53 1xac s LYS 2 CO 0.00 -0.55 -0.17 0.08 -0.36 0.00 0.00 175.35 174.35 1xac s VAL 3 N 2.03 1.97 -0.14 4.02 1.01 -0.65 -0.33 120.40 128.31 1xac s VAL 3 Ca 0.12 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 1xac s VAL 3 Cb -0.17 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1xac s VAL 3 CO 0.12 0.41 1.00 0.00 0.00 0.00 0.00 175.10 176.62 1xac s ALA 4 N 1.30 3.47 -0.23 5.51 0.00 -0.39 -3.05 121.76 128.37 1xac s ALA 4 Ca 0.02 0.30 -0.09 0.00 0.00 0.00 0.00 51.96 52.19 1xac s ALA 4 Cb -0.14 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1xac s ALA 4 CO -0.11 -0.70 0.11 0.08 0.00 0.00 0.00 175.76 175.14 1xac s VAL 5 N 2.27 4.97 -0.75 0.00 1.01 0.03 -1.46 120.40 126.48 1xac s VAL 5 Ca 0.46 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1xac s VAL 5 Cb -0.17 -3.30 0.18 0.00 0.00 0.00 0.00 36.38 33.09 1xac s VAL 5 CO 0.15 0.38 0.57 -0.76 0.00 0.00 0.00 175.10 175.43 1xac s LEU 6 N 0.98 5.04 0.60 3.92 1.02 0.05 -1.83 118.68 128.46 1xac s LEU 6 Ca 0.06 -3.72 0.37 0.00 0.02 0.00 0.00 54.13 50.85 1xac s LEU 6 Cb -0.14 -1.73 1.88 0.00 0.02 0.00 0.00 46.19 46.22 1xac s LEU 6 CO 0.03 -0.14 2.19 -0.65 0.02 0.00 0.00 176.35 177.81 1xac h PRO 7 N 5.73 0.00 0.00 1.29 0.11 -1.82 -1.27 132.00 136.04 1xac h PRO 7 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1xac h PRO 7 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1xac h PRO 7 CO 0.76 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.99 1xac n GLY 8 N -0.69 0.61 3.76 -0.55 0.00 -1.26 -3.33 105.19 103.73 1xac n GLY 8 Ca -0.02 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 1xac n GLY 8 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xac s ASP 9 N -4.00 4.48 1.52 1.61 1.01 0.19 -4.63 116.67 116.84 1xac s ASP 9 Ca 0.00 -1.09 0.00 0.00 0.71 0.00 0.00 52.55 52.17 1xac s ASP 9 Cb 0.00 -0.38 0.00 0.00 1.01 0.00 0.00 42.92 43.55 1xac s ASP 9 CO 0.00 -0.61 0.00 0.61 0.21 0.00 0.00 175.17 175.38 1xac n GLY 10 N -1.30 3.23 0.15 0.21 0.00 -1.26 -1.09 105.19 105.12 1xac n GLY 10 Ca -0.01 0.27 0.14 0.00 0.00 0.00 0.00 46.02 46.41 1xac n GLY 10 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xac n ILE 11 N 0.00 0.00 -0.15 -0.61 -5.35 0.17 -4.31 119.36 109.11 1xac n ILE 11 Ca 0.00 -0.08 -0.04 0.00 -0.27 0.00 0.00 62.75 62.37 1xac n ILE 11 Cb 0.00 -0.02 0.03 0.00 -1.74 0.00 0.00 39.64 37.91 1xac n ILE 11 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1xac h GLY 12 N 4.96 0.32 -0.51 3.28 0.00 -1.27 -1.24 103.07 108.60 1xac h GLY 12 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.59 1xac h GLY 12 CO 0.00 -0.19 -0.42 -2.55 0.00 0.00 0.00 176.54 173.38 1xac h PRO 13 N -0.01 -0.20 0.11 4.80 0.11 -1.75 0.11 132.00 135.16 1xac h PRO 13 Ca 0.23 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 1xac h PRO 13 Cb 0.36 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1xac h PRO 13 CO -0.50 -0.13 -0.05 0.93 -0.21 0.00 0.00 178.00 178.04 1xac h GLU 14 N -0.21 -0.14 0.00 1.05 5.08 -1.73 -2.72 114.58 115.91 1xac h GLU 14 Ca 0.19 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1xac h GLU 14 Cb 0.56 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1xac h GLU 14 CO -0.70 -0.03 -0.41 -0.39 -1.00 0.00 0.00 179.01 176.47 1xac h VAL 15 N -0.21 0.79 0.00 3.13 -1.51 -1.18 -2.42 116.25 114.84 1xac h VAL 15 Ca -0.01 -1.84 -0.14 0.00 -1.23 0.00 0.00 66.70 63.47 1xac h VAL 15 Cb 0.17 2.19 -0.02 0.00 -2.13 0.00 0.00 31.29 31.50 1xac h VAL 15 CO 0.02 0.40 -0.69 0.74 -1.23 0.00 0.00 177.57 176.82 1xac h THR 16 N 0.00 1.48 -0.30 7.19 2.02 -0.95 -2.88 112.91 119.48 1xac h THR 16 Ca -0.00 -2.38 -0.16 0.00 0.77 0.00 0.00 66.41 64.64 1xac h THR 16 Cb 1.16 2.29 -0.00 0.00 -1.74 0.00 0.00 68.15 69.85 1xac h THR 16 CO 0.05 0.68 -0.43 -0.08 0.37 0.00 0.00 175.52 176.11 1xac h GLU 17 N 0.00 0.82 -0.18 6.66 4.57 -1.27 -0.02 114.58 125.16 1xac h GLU 17 Ca -0.01 -0.48 0.03 0.00 -1.18 0.00 0.00 59.36 57.72 1xac h GLU 17 Cb 1.23 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1xac h GLU 17 CO 0.09 1.12 0.13 0.00 -1.18 0.00 0.00 179.01 179.16 1xac h ALA 18 N 0.69 2.05 -0.03 2.92 0.00 -1.23 0.11 119.26 123.77 1xac h ALA 18 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xac h ALA 18 Cb 1.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1xac h ALA 18 CO 0.10 -0.09 -0.09 0.00 0.00 0.00 0.00 179.25 179.17 1xac h ALA 19 N 1.90 0.06 -0.76 0.00 0.00 -1.31 -2.87 119.26 116.27 1xac h ALA 19 Ca 0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1xac h ALA 19 Cb 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1xac h ALA 19 CO -0.01 -0.07 0.47 -0.07 0.00 0.00 0.00 179.25 179.56 1xac h LEU 20 N -0.43 0.91 -2.02 0.00 3.38 0.72 0.15 115.31 118.03 1xac h LEU 20 Ca -0.00 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.01 1xac h LEU 20 Cb 0.69 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1xac h LEU 20 CO 0.02 0.70 0.26 0.11 0.09 0.00 0.00 178.44 179.63 1xac h LYS 21 N 1.04 0.00 -0.02 1.13 1.57 -0.76 0.18 116.57 119.71 1xac h LYS 21 Ca 0.27 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.95 1xac h LYS 21 Cb -0.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.27 1xac h LYS 21 CO -0.05 0.00 -0.38 0.28 -0.57 0.00 0.00 179.45 178.73 1xac h VAL 22 N 0.00 1.47 0.00 0.50 2.07 -0.79 -2.67 116.25 116.83 1xac h VAL 22 Ca 0.17 -1.92 -0.00 0.00 0.82 0.00 0.00 66.70 65.77 1xac h VAL 22 Cb 0.70 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1xac h VAL 22 CO -0.00 0.54 -0.02 -0.07 0.02 0.00 0.00 177.57 178.04 1xac h LEU 23 N -0.27 0.00 0.15 2.57 3.38 0.26 -0.47 115.31 120.93 1xac h LEU 23 Ca -0.04 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 1xac h LEU 23 Cb 1.09 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.86 1xac h LEU 23 CO 0.08 0.02 -1.02 0.03 0.09 0.00 0.00 178.44 177.64 1xac h ARG 24 N 0.00 0.32 -0.62 1.13 3.08 -1.03 -2.40 114.38 114.86 1xac h ARG 24 Ca -0.00 -0.55 0.09 0.00 0.07 0.00 0.00 59.98 59.59 1xac h ARG 24 Cb 0.37 0.20 -0.07 0.00 0.08 0.00 0.00 29.97 30.56 1xac h ARG 24 CO 0.00 1.26 0.25 0.00 -1.07 0.00 0.00 179.97 180.41 1xac h ALA 25 N 0.06 0.80 -0.14 0.04 0.00 -0.76 0.28 119.26 119.54 1xac h ALA 25 Ca -0.19 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1xac h ALA 25 Cb 1.73 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 1xac h ALA 25 CO 0.15 -0.16 -0.15 -0.07 0.00 0.00 0.00 179.25 179.02 1xac h LEU 26 N 0.45 0.38 -0.84 0.00 3.38 -1.43 -0.04 115.31 117.21 1xac h LEU 26 Ca 0.31 -0.48 0.09 0.00 0.09 0.00 0.00 57.88 57.88 1xac h LEU 26 Cb 0.35 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1xac h LEU 26 CO -0.29 0.79 0.50 -0.78 0.09 0.00 0.00 178.44 178.75 1xac h ASP 27 N -0.02 0.73 0.25 -0.43 3.58 -0.42 0.42 116.42 120.53 1xac h ASP 27 Ca 0.02 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1xac h ASP 27 Cb 0.68 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1xac h ASP 27 CO 0.04 0.43 -0.12 -0.33 -2.88 0.00 0.00 179.24 176.37 1xac h GLU 28 N 0.84 -0.32 -1.05 0.28 5.08 -0.40 0.17 114.58 119.18 1xac h GLU 28 Ca 0.40 0.02 0.29 0.00 -1.00 0.00 0.00 59.36 59.07 1xac h GLU 28 Cb 0.33 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 1xac h GLU 28 CO -0.23 -0.21 0.73 0.00 -1.00 0.00 0.00 179.01 178.30 1xac h ALA 29 N -1.85 2.73 0.00 3.43 0.00 0.70 -2.96 119.26 121.31 1xac h ALA 29 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xac h ALA 29 Cb 0.25 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xac h ALA 29 CO 0.06 -1.06 -0.53 0.39 0.00 0.00 0.00 179.25 178.10 1xac n GLU 30 N -4.36 3.54 -2.06 0.00 -0.58 0.13 -5.04 120.64 112.28 1xac n GLU 30 Ca 0.23 -0.01 -0.02 0.00 -0.42 0.00 0.00 57.16 56.95 1xac n GLU 30 Cb 1.03 -0.78 0.00 0.00 -0.57 0.00 0.00 31.44 31.12 1xac n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xac n GLY 31 N 1.67 -2.32 0.00 0.62 0.00 0.58 -4.97 105.19 100.76 1xac n GLY 31 Ca 0.00 0.26 0.03 0.00 0.00 0.00 0.00 46.02 46.31 1xac n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xac n LEU 32 N -0.02 0.14 -2.37 0.99 4.32 -1.18 -5.04 117.00 113.84 1xac n LEU 32 Ca 0.02 -0.22 -0.08 0.00 -0.02 0.00 0.00 56.01 55.71 1xac n LEU 32 Cb 0.09 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 41.93 1xac n LEU 32 CO 0.20 0.04 0.04 0.61 -1.22 0.00 0.00 177.39 177.05 1xac n GLY 33 N 1.68 -0.10 3.72 -0.72 0.00 -1.26 -3.19 105.19 105.32 1xac n GLY 33 Ca -0.00 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1xac n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xac s LEU 34 N -4.30 4.39 -0.09 0.99 0.20 -1.26 -0.01 118.68 118.60 1xac s LEU 34 Ca 0.13 2.26 0.01 0.00 0.69 0.00 0.00 54.13 57.22 1xac s LEU 34 Cb -0.02 -3.59 0.02 0.00 -0.43 0.00 0.00 46.19 42.17 1xac s LEU 34 CO 0.39 -0.54 -0.09 0.00 -0.29 0.00 0.00 176.35 175.82 1xac s ALA 35 N 0.69 1.30 0.12 5.97 0.00 0.14 -4.88 121.76 125.11 1xac s ALA 35 Ca 0.60 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.09 1xac s ALA 35 Cb -0.34 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 1xac s ALA 35 CO 0.33 -0.21 -0.08 1.52 0.00 0.00 0.00 175.76 177.32 1xac s TYR 36 N 1.30 1.07 0.02 0.00 -0.85 -1.26 -1.64 117.35 115.97 1xac s TYR 36 Ca -0.03 -0.85 0.01 0.00 -0.52 0.00 0.00 57.07 55.68 1xac s TYR 36 Cb -0.14 -0.58 -0.01 0.00 0.38 0.00 0.00 41.96 41.61 1xac s TYR 36 CO -0.04 -0.05 -0.03 -2.00 -1.52 0.00 0.00 175.55 171.91 1xac s GLU 37 N -3.80 0.27 -0.20 -3.49 2.12 -1.17 -4.97 118.70 107.45 1xac s GLU 37 Ca 0.14 -0.42 -0.08 0.00 0.36 0.00 0.00 54.97 54.97 1xac s GLU 37 Cb 0.04 -0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 1xac s GLU 37 CO -0.02 -0.00 0.08 0.08 -0.54 0.00 0.00 175.26 174.86 1xac s VAL 38 N -0.90 4.82 0.16 3.70 1.01 -1.26 -0.79 120.40 127.15 1xac s VAL 38 Ca -0.09 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 61.95 1xac s VAL 38 Cb -0.06 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1xac s VAL 38 CO -0.00 0.42 -0.02 -0.36 0.00 0.00 0.00 175.10 175.13 1xac s PHE 39 N 0.70 2.82 0.30 5.22 0.40 -0.76 -4.95 117.98 121.71 1xac s PHE 39 Ca 0.04 -0.14 -0.29 0.00 -0.60 0.00 0.00 56.93 55.94 1xac s PHE 39 Cb -0.13 -1.39 -0.10 0.00 0.51 0.00 0.00 43.02 41.91 1xac s PHE 39 CO 0.02 0.50 1.18 -1.25 0.70 0.00 0.00 175.22 176.37 1xac s PRO 40 N -2.79 4.53 -0.27 0.24 0.04 -1.26 -4.48 135.00 131.00 1xac s PRO 40 Ca 0.26 1.97 -0.23 0.00 0.04 0.00 0.00 61.00 63.04 1xac s PRO 40 Cb -0.10 -3.14 0.08 0.00 0.04 0.00 0.00 34.50 31.38 1xac s PRO 40 CO 0.18 0.05 0.75 0.12 0.04 0.00 0.00 177.00 178.14 1xac s PHE 41 N -1.13 -0.82 0.00 0.56 5.36 -1.26 -4.65 117.98 116.03 1xac s PHE 41 Ca 0.46 1.88 0.00 0.00 -0.96 0.00 0.00 56.93 58.32 1xac s PHE 41 Cb -0.35 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 42.70 1xac s PHE 41 CO 0.46 -0.40 0.00 0.41 -1.46 0.00 0.00 175.22 174.23 1xac n GLY 42 N 3.06 -1.64 0.39 13.12 0.00 -0.18 -4.03 105.19 115.92 1xac n GLY 42 Ca -0.15 -2.06 0.20 0.00 0.00 0.00 0.00 46.02 44.00 1xac n GLY 42 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xac h GLY 43 N 0.00 0.00 1.99 -0.02 0.00 -1.89 0.43 103.07 103.58 1xac h GLY 43 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1xac h GLY 43 CO 0.00 0.00 -0.87 0.00 0.00 0.00 0.00 176.54 175.67 1xac h ALA 44 N 1.34 0.56 0.00 3.60 0.00 -1.86 -1.45 119.26 121.45 1xac h ALA 44 Ca 0.18 -0.79 -0.17 0.00 0.00 0.00 0.00 54.91 54.13 1xac h ALA 44 Cb 1.19 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1xac h ALA 44 CO -0.00 1.08 -0.91 0.00 0.00 0.00 0.00 179.25 179.42 1xac h ALA 45 N 1.12 0.55 -0.02 0.00 0.00 -0.45 -0.47 119.26 119.99 1xac h ALA 45 Ca -0.01 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.13 1xac h ALA 45 Cb 1.54 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1xac h ALA 45 CO 0.11 0.99 -0.00 0.82 0.00 0.00 0.00 179.25 181.18 1xac h ILE 46 N 0.00 1.26 -0.80 0.00 2.04 -0.64 0.35 117.51 119.72 1xac h ILE 46 Ca -0.05 -0.78 0.09 0.00 1.00 0.00 0.00 64.86 65.13 1xac h ILE 46 Cb 1.62 1.76 -0.07 0.00 -0.74 0.00 0.00 36.82 39.38 1xac h ILE 46 CO 0.09 0.21 0.45 0.44 0.00 0.00 0.00 178.15 179.33 1xac h ASP 47 N -0.29 0.63 0.04 1.72 3.32 -1.24 0.23 116.42 120.82 1xac h ASP 47 Ca 0.00 0.05 -0.20 0.00 0.02 0.00 0.00 57.03 56.91 1xac h ASP 47 Cb 0.33 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1xac h ASP 47 CO 0.00 0.36 -1.05 0.00 -1.72 0.00 0.00 179.24 176.83 1xac h ALA 48 N 1.45 0.18 -0.04 3.45 0.00 -0.75 -3.40 119.26 120.15 1xac h ALA 48 Ca 0.39 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1xac h ALA 48 Cb 0.36 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1xac h ALA 48 CO -0.25 0.60 0.00 1.19 0.00 0.00 0.00 179.25 180.79 1xac n PHE 49 N -4.29 0.03 -1.15 0.00 3.72 0.12 -4.98 117.46 110.91 1xac n PHE 49 Ca -0.25 -0.03 -0.01 0.00 -0.05 0.00 0.00 57.45 57.11 1xac n PHE 49 Cb 0.72 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.25 1xac n PHE 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xac n GLY 50 N 0.81 0.45 3.58 1.37 0.00 0.79 -4.98 105.19 107.21 1xac n GLY 50 Ca 0.09 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 1xac n GLY 50 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xac s GLU 51 N -2.34 0.51 0.42 1.61 -1.05 -1.22 -4.93 118.70 111.70 1xac s GLU 51 Ca 0.00 0.09 0.28 0.00 -0.15 0.00 0.00 54.97 55.19 1xac s GLU 51 Cb 0.00 0.24 0.97 0.00 -0.44 0.00 0.00 34.13 34.90 1xac s GLU 51 CO 0.00 -0.17 1.81 -1.00 0.95 0.00 0.00 175.26 176.85 1xac h PRO 52 N 2.43 0.00 -2.43 -4.83 0.13 -1.82 -3.27 132.00 122.21 1xac h PRO 52 Ca -0.17 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.38 1xac h PRO 52 Cb 1.17 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.92 1xac h PRO 52 CO 0.29 0.00 -0.94 0.12 -0.23 0.00 0.00 178.00 177.24 1xac s PHE 53 N -3.41 1.02 0.41 1.56 5.36 -1.26 -1.01 117.98 120.64 1xac s PHE 53 Ca 0.04 -2.16 -0.10 0.00 -0.96 0.00 0.00 56.93 53.75 1xac s PHE 53 Cb 0.09 -0.93 -0.06 0.00 -0.34 0.00 0.00 43.02 41.77 1xac s PHE 53 CO 0.55 -0.83 0.77 -1.25 -1.46 0.00 0.00 175.22 173.00 1xac s PRO 54 N 0.30 3.77 0.62 10.12 0.04 -1.26 -4.72 135.00 143.88 1xac s PRO 54 Ca 0.29 0.46 0.34 0.00 0.04 0.00 0.00 61.00 62.13 1xac s PRO 54 Cb -0.03 -2.39 1.94 0.00 0.04 0.00 0.00 34.50 34.06 1xac s PRO 54 CO -0.14 -0.05 2.21 0.93 0.04 0.00 0.00 177.00 179.99 1xac h GLU 55 N 1.21 0.00 -0.34 4.56 3.07 -1.98 0.49 114.58 121.60 1xac h GLU 55 Ca -0.47 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.45 1xac h GLU 55 Cb 1.19 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.04 1xac h GLU 55 CO 0.64 0.00 -0.01 -1.00 -1.40 0.00 0.00 179.01 177.24 1xac h PRO 56 N 0.00 0.08 -0.49 2.33 0.13 -1.99 -1.77 132.00 130.29 1xac h PRO 56 Ca 0.03 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.07 1xac h PRO 56 Cb 0.22 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 1xac h PRO 56 CO -0.00 0.06 -0.01 1.15 -0.23 0.00 0.00 178.00 178.96 1xac h THR 57 N 0.09 1.26 -0.56 1.56 2.02 -0.34 0.14 112.91 117.08 1xac h THR 57 Ca 0.16 -1.10 0.11 0.00 0.77 0.00 0.00 66.41 66.36 1xac h THR 57 Cb 0.22 0.99 -0.10 0.00 -1.74 0.00 0.00 68.15 67.52 1xac h THR 57 CO -0.28 0.38 -0.10 0.03 0.37 0.00 0.00 175.52 175.93 1xac h ARG 58 N 0.74 0.03 -0.35 6.66 -0.00 -1.34 -1.39 114.38 118.73 1xac h ARG 58 Ca 0.14 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.56 1xac h ARG 58 Cb 0.53 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.48 1xac h ARG 58 CO 0.03 0.02 0.00 -0.22 0.00 0.00 0.00 179.97 179.80 1xac h LYS 59 N 0.03 0.62 -0.30 0.04 3.64 -0.27 -2.05 116.57 118.29 1xac h LYS 59 Ca 0.28 -0.20 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1xac h LYS 59 Cb 0.43 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.13 1xac h LYS 59 CO -0.55 0.74 -0.11 0.78 -2.27 0.00 0.00 179.45 178.04 1xac h GLY 60 N 0.43 0.15 2.00 5.01 0.00 0.12 -0.30 103.07 110.49 1xac h GLY 60 Ca 0.10 0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.45 1xac h GLY 60 CO 0.02 -0.14 -0.57 -0.39 0.00 0.00 0.00 176.54 175.45 1xac h VAL 61 N -0.06 1.04 0.00 4.60 -1.51 -1.31 -1.30 116.25 117.72 1xac h VAL 61 Ca 0.15 -2.30 -0.07 0.00 -1.23 0.00 0.00 66.70 63.24 1xac h VAL 61 Cb 0.29 2.40 -0.01 0.00 -2.13 0.00 0.00 31.29 31.83 1xac h VAL 61 CO -0.34 0.56 -0.35 -0.08 -1.23 0.00 0.00 177.57 176.13 1xac h GLU 62 N 0.00 0.00 0.00 5.19 4.57 -0.54 -3.24 114.58 120.56 1xac h GLU 62 Ca -0.01 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 1xac h GLU 62 Cb 1.35 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.92 1xac h GLU 62 CO 0.07 0.35 -1.81 0.39 -1.18 0.00 0.00 179.01 176.84 1xac n GLU 63 N -3.60 0.65 -1.57 1.92 -0.58 -0.22 -4.95 120.64 112.29 1xac n GLU 63 Ca -0.01 -0.03 -0.30 0.00 -0.42 0.00 0.00 57.16 56.41 1xac n GLU 63 Cb 0.47 -1.62 0.19 0.00 -0.57 0.00 0.00 31.44 29.91 1xac n GLU 63 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xac s ALA 64 N -3.17 1.63 -0.10 0.62 0.00 -0.50 -5.00 121.76 115.24 1xac s ALA 64 Ca -0.06 -0.94 0.22 0.00 0.00 0.00 0.00 51.96 51.17 1xac s ALA 64 Cb 0.11 -2.88 -0.24 0.00 0.00 0.00 0.00 23.12 20.11 1xac s ALA 64 CO 0.86 -2.74 0.62 0.39 0.00 0.00 0.00 175.76 174.89 1xac n GLU 65 N -4.07 0.65 -3.80 0.00 1.02 0.56 -4.86 120.64 110.13 1xac n GLU 65 Ca 0.12 -0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 1xac n GLU 65 Cb 0.59 -1.61 -0.08 0.00 -0.02 0.00 0.00 31.44 30.32 1xac n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xac s ALA 66 N -3.41 -0.56 -0.16 0.62 0.00 -0.99 -4.37 121.76 112.90 1xac s ALA 66 Ca -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.84 1xac s ALA 66 Cb 0.12 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1xac s ALA 66 CO 0.87 -0.32 -0.01 0.08 0.00 0.00 0.00 175.76 176.38 1xac s VAL 67 N -2.04 4.18 -0.18 0.00 1.01 -0.75 -1.26 120.40 121.35 1xac s VAL 67 Ca -0.09 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 1xac s VAL 67 Cb -0.03 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 1xac s VAL 67 CO -0.01 0.49 0.34 -0.76 0.00 0.00 0.00 175.10 175.17 1xac s LEU 68 N 0.30 4.20 -0.02 3.92 1.43 -0.53 -2.44 118.68 125.53 1xac s LEU 68 Ca -0.01 0.50 0.08 0.00 -1.03 0.00 0.00 54.13 53.67 1xac s LEU 68 Cb -0.13 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 1xac s LEU 68 CO 0.02 0.01 -0.26 -0.22 0.23 0.00 0.00 176.35 176.13 1xac s LEU 69 N 0.91 2.05 0.00 1.79 2.96 -0.25 -0.77 118.68 125.37 1xac s LEU 69 Ca 0.18 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1xac s LEU 69 Cb -0.14 -1.34 0.00 0.00 0.50 0.00 0.00 46.19 45.21 1xac s LEU 69 CO 0.06 0.31 0.00 0.61 -1.32 0.00 0.00 176.35 176.01 1xac n GLY 70 N 2.49 0.51 3.02 7.98 0.00 -0.48 -4.19 105.19 114.51 1xac n GLY 70 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 1xac n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xac s SER 71 N -0.92 0.98 0.34 1.61 0.01 -1.21 -4.67 113.70 109.83 1xac s SER 71 Ca 0.00 -0.20 0.09 0.00 1.31 0.00 0.00 55.95 57.15 1xac s SER 71 Cb 0.00 -0.09 -0.05 0.00 0.21 0.00 0.00 66.02 66.09 1xac s SER 71 CO 0.00 0.07 0.08 0.68 0.41 0.00 0.00 173.24 174.48 1xac s VAL 72 N -0.33 2.82 0.00 3.43 -7.23 -1.26 0.54 120.40 118.37 1xac s VAL 72 Ca 0.02 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1xac s VAL 72 Cb -0.04 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 34.01 1xac s VAL 72 CO -0.00 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 1xac n GLY 73 N -1.06 4.12 0.00 2.32 0.00 -1.26 -4.17 105.19 105.15 1xac n GLY 73 Ca -0.04 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1xac n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xac n GLY 74 N -0.90 1.25 0.28 -0.02 0.00 -1.26 -4.63 105.19 99.91 1xac n GLY 74 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1xac n GLY 74 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xac h PRO 75 N 0.00 0.36 -1.25 1.61 0.11 -2.03 -2.35 132.00 128.45 1xac h PRO 75 Ca 0.00 -0.03 0.36 0.00 0.11 0.00 0.00 66.00 66.44 1xac h PRO 75 Cb 0.00 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 30.97 1xac h PRO 75 CO 0.00 0.28 0.87 -0.22 -0.21 0.00 0.00 178.00 178.72 1xac h LYS 76 N 0.36 0.08 0.00 1.05 3.64 -2.03 0.36 116.57 120.03 1xac h LYS 76 Ca 0.09 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1xac h LYS 76 Cb 0.04 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1xac h LYS 76 CO -0.01 0.05 -1.05 0.91 -2.27 0.00 0.00 179.45 177.08 1xac n TRP 77 N -4.29 0.04 0.10 1.91 8.01 -0.88 -4.46 117.44 117.87 1xac n TRP 77 Ca 0.28 0.01 0.09 0.00 -1.31 0.00 0.00 57.50 56.57 1xac n TRP 77 Cb 1.26 -0.15 0.57 0.00 -2.01 0.00 0.00 31.31 30.98 1xac n TRP 77 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 1xac h ASP 78 N 0.00 0.19 -0.82 -0.99 3.32 -0.41 -3.03 116.42 114.68 1xac h ASP 78 Ca 0.00 -0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.13 1xac h ASP 78 Cb 0.59 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.02 1xac h ASP 78 CO 0.00 0.13 0.47 0.06 -1.72 0.00 0.00 179.24 178.18 1xac h GLN 79 N 0.22 0.79 0.00 3.56 3.07 -1.78 -3.45 115.11 117.51 1xac h GLN 79 Ca 0.12 -0.05 -0.42 0.00 0.09 0.00 0.00 58.65 58.38 1xac h GLN 79 Cb 0.19 -0.18 0.06 0.00 0.08 0.00 0.00 27.48 27.64 1xac h GLN 79 CO -0.02 0.52 0.05 0.27 0.09 0.00 0.00 178.83 179.74 1xac n ASN 80 N -4.73 1.43 0.00 0.06 6.94 -1.15 -5.08 115.26 112.73 1xac n ASN 80 Ca 0.13 -2.14 0.00 0.00 -0.02 0.00 0.00 54.58 52.55 1xac n ASN 80 Cb 0.25 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.15 1xac n ASN 80 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1xac n PRO 81 N -2.51 0.00 0.01 -0.53 -0.05 -1.26 -4.84 135.00 125.82 1xac n PRO 81 Ca 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.60 1xac n PRO 81 Cb 0.54 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.99 1xac n PRO 81 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1xac n ARG 82 N 0.00 0.00 -0.46 0.54 1.74 -1.26 -4.60 116.66 112.62 1xac n ARG 82 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 1xac n ARG 82 Cb 0.00 -0.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.97 1xac n ARG 82 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1xac n GLU 83 N -3.03 1.17 -1.87 5.56 4.71 -1.26 -2.86 120.64 123.06 1xac n GLU 83 Ca 0.00 -0.35 -0.03 0.00 -0.01 0.00 0.00 57.16 56.76 1xac n GLU 83 Cb 0.43 -1.14 0.03 0.00 -1.01 0.00 0.00 31.44 29.75 1xac n GLU 83 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1xac n LEU 84 N 0.97 -0.76 -4.04 -4.62 4.32 -1.26 -4.66 117.00 106.95 1xac n LEU 84 Ca 0.07 -2.57 -0.16 0.00 -0.02 0.00 0.00 56.01 53.33 1xac n LEU 84 Cb 0.55 0.08 -0.13 0.00 -1.62 0.00 0.00 43.42 42.30 1xac n LEU 84 CO 0.08 1.45 -0.42 -0.60 -1.22 0.00 0.00 177.39 176.68 1xac s ARG 85 N -0.29 0.58 0.61 3.23 3.52 -1.13 -4.65 118.95 120.81 1xac s ARG 85 Ca 0.09 -0.55 0.41 0.00 -0.13 0.00 0.00 55.73 55.56 1xac s ARG 85 Cb 0.24 -0.48 2.21 0.00 -1.56 0.00 0.00 34.95 35.37 1xac s ARG 85 CO -0.07 0.11 2.26 -1.35 -0.81 0.00 0.00 175.30 175.44 1xac h PRO 86 N 5.16 0.00 0.00 5.12 0.11 -1.90 -1.67 132.00 138.82 1xac h PRO 86 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1xac h PRO 86 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xac h PRO 86 CO 0.45 0.00 -0.89 0.93 -0.21 0.00 0.00 178.00 178.28 1xac h GLU 87 N 0.00 0.00 -0.18 1.05 3.07 -1.93 -3.27 114.58 113.32 1xac h GLU 87 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xac h GLU 87 Cb 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1xac h GLU 87 CO 0.00 0.00 0.09 -0.22 -1.40 0.00 0.00 179.01 177.48 1xac h LYS 88 N 0.00 0.24 -0.04 2.33 3.11 -1.56 -1.10 116.57 119.56 1xac h LYS 88 Ca 0.00 -0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.75 1xac h LYS 88 Cb 0.90 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.06 1xac h LYS 88 CO 0.00 0.19 -0.33 0.78 -2.81 0.00 0.00 179.45 177.28 1xac h GLY 89 N 0.31 0.07 2.00 5.01 0.00 -1.72 -1.38 103.07 107.36 1xac h GLY 89 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1xac h GLY 89 CO -0.01 0.05 -0.04 1.41 0.00 0.00 0.00 176.54 177.95 1xac h LEU 90 N 0.06 0.00 0.02 3.11 3.38 -1.36 -0.30 115.31 120.22 1xac h LEU 90 Ca 0.01 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.66 1xac h LEU 90 Cb 0.61 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1xac h LEU 90 CO 0.04 0.04 -1.90 0.18 0.09 0.00 0.00 178.44 176.90 1xac n LEU 91 N -3.21 1.11 -0.13 1.67 4.77 -0.56 -3.23 117.00 117.42 1xac n LEU 91 Ca -0.01 0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 56.14 1xac n LEU 91 Cb 0.26 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1xac n LEU 91 CO 0.27 0.51 0.64 0.28 -1.33 0.00 0.00 177.39 177.75 1xac h SER 92 N 0.01 0.88 0.40 -1.43 0.02 -1.05 0.31 113.55 112.69 1xac h SER 92 Ca -0.36 -0.42 -0.08 0.00 -0.84 0.00 0.00 61.79 60.08 1xac h SER 92 Cb 2.05 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.34 1xac h SER 92 CO 0.07 1.11 -0.39 -0.29 -1.14 0.00 0.00 176.83 176.18 1xac h ILE 93 N 0.66 1.27 -0.51 3.27 2.10 -1.23 -1.09 117.51 121.99 1xac h ILE 93 Ca 0.08 -1.35 -0.06 0.00 1.08 0.00 0.00 64.86 64.61 1xac h ILE 93 Cb 0.80 1.73 -0.02 0.00 -1.09 0.00 0.00 36.82 38.24 1xac h ILE 93 CO 0.07 0.39 0.08 -0.09 -1.08 0.00 0.00 178.15 177.51 1xac h ARG 94 N 0.00 0.84 0.11 2.19 2.43 -1.43 -2.66 114.38 115.86 1xac h ARG 94 Ca -0.00 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1xac h ARG 94 Cb 0.70 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1xac h ARG 94 CO 0.05 0.84 -0.05 -0.22 -1.51 0.00 0.00 179.97 179.07 1xac h LYS 95 N 0.72 -0.15 -0.71 0.20 1.63 0.02 -2.97 116.57 115.31 1xac h LYS 95 Ca 0.15 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.06 1xac h LYS 95 Cb 0.40 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.99 1xac h LYS 95 CO 0.01 0.24 0.34 0.37 -3.45 0.00 0.00 179.45 176.96 1xac h GLN 96 N -0.56 0.56 -0.54 1.90 4.15 -1.25 -0.57 115.11 118.79 1xac h GLN 96 Ca -0.02 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1xac h GLN 96 Cb 0.45 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1xac h GLN 96 CO 0.03 0.37 0.00 1.28 -1.93 0.00 0.00 178.83 178.57 1xac n LEU 97 N -4.89 2.31 -4.03 -2.39 4.32 -1.00 -4.93 117.00 106.39 1xac n LEU 97 Ca 0.11 -1.16 -0.39 0.00 -0.02 0.00 0.00 56.01 54.55 1xac n LEU 97 Cb 0.29 -0.37 0.01 0.00 -1.62 0.00 0.00 43.42 41.73 1xac n LEU 97 CO 0.24 0.43 -0.15 0.47 -1.22 0.00 0.00 177.39 177.15 1xac n ASP 98 N 0.37 -3.18 -4.71 -1.43 8.00 -0.22 -0.37 116.55 115.01 1xac n ASP 98 Ca 0.11 -1.09 -0.39 0.00 0.71 0.00 0.00 54.79 54.14 1xac n ASP 98 Cb 0.44 -1.30 -0.05 0.00 -0.02 0.00 0.00 41.12 40.19 1xac n ASP 98 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xac s LEU 99 N -7.06 4.28 0.00 0.64 1.43 -1.13 -1.54 118.68 115.30 1xac s LEU 99 Ca 0.39 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 1xac s LEU 99 Cb -0.22 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.05 1xac s LEU 99 CO 0.81 -0.11 0.67 2.22 0.23 0.00 0.00 176.35 180.17 1xac n PHE 100 N 3.93 0.00 -3.84 0.29 1.16 0.59 -4.81 117.46 114.77 1xac n PHE 100 Ca -0.03 -0.21 -0.13 0.00 -1.87 0.00 0.00 57.45 55.22 1xac n PHE 100 Cb 0.51 -0.02 -0.14 0.00 -1.61 0.00 0.00 39.48 38.22 1xac n PHE 100 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1xac s ALA 101 N -0.42 -0.10 -0.11 1.98 0.00 -1.13 -1.43 121.76 120.55 1xac s ALA 101 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1xac s ALA 101 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1xac s ALA 101 CO 0.00 -0.04 -0.20 1.21 0.00 0.00 0.00 175.76 176.73 1xac s ASN 102 N 0.24 3.43 -0.19 0.00 3.04 -0.26 -1.98 114.94 119.22 1xac s ASN 102 Ca -0.02 -0.48 -0.07 0.00 0.04 0.00 0.00 52.86 52.34 1xac s ASN 102 Cb -0.03 -1.49 -0.04 0.00 -1.54 0.00 0.00 41.25 38.16 1xac s ASN 102 CO -0.01 0.16 0.04 -0.76 -3.04 0.00 0.00 177.10 173.49 1xac s LEU 103 N 0.36 3.62 -0.26 3.21 1.02 0.16 -1.23 118.68 125.56 1xac s LEU 103 Ca -0.16 -0.02 -0.00 0.00 0.02 0.00 0.00 54.13 53.97 1xac s LEU 103 Cb -0.17 -1.92 0.08 0.00 0.02 0.00 0.00 46.19 44.20 1xac s LEU 103 CO 0.07 0.13 0.03 -0.13 0.02 0.00 0.00 176.35 176.47 1xac s ARG 104 N 0.63 1.09 0.24 1.70 1.81 -0.99 -2.72 118.95 120.71 1xac s ARG 104 Ca 0.02 -0.96 -0.12 0.00 -1.72 0.00 0.00 55.73 52.94 1xac s ARG 104 Cb -0.13 -2.34 -0.08 0.00 -0.45 0.00 0.00 34.95 31.95 1xac s ARG 104 CO 0.02 -0.76 0.60 -1.25 -0.68 0.00 0.00 175.30 173.22 1xac s PRO 105 N 1.53 3.90 -0.09 3.54 0.04 -1.26 -1.60 135.00 141.05 1xac s PRO 105 Ca 0.02 0.43 0.03 0.00 0.04 0.00 0.00 61.00 61.51 1xac s PRO 105 Cb -0.18 -2.65 0.01 0.00 0.04 0.00 0.00 34.50 31.72 1xac s PRO 105 CO -0.13 0.31 -0.17 0.08 0.04 0.00 0.00 177.00 177.13 1xac s VAL 106 N -1.79 1.51 -0.02 -0.36 1.01 -0.91 -4.58 120.40 115.27 1xac s VAL 106 Ca 0.47 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1xac s VAL 106 Cb -0.12 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 1xac s VAL 106 CO 0.20 0.44 -0.11 -0.75 0.00 0.00 0.00 175.10 174.87 1xac s LYS 107 N 0.68 1.08 -0.25 2.72 2.20 -1.26 -2.02 119.74 122.89 1xac s LYS 107 Ca -0.13 -0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 55.05 1xac s LYS 107 Cb -0.16 -1.01 0.02 0.00 -1.51 0.00 0.00 37.83 35.17 1xac s LYS 107 CO 0.03 0.20 -0.05 0.08 -0.36 0.00 0.00 175.35 175.25 1xac s VAL 108 N -0.04 2.98 -0.48 4.02 1.01 -1.11 -4.77 120.40 122.01 1xac s VAL 108 Ca 0.00 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.70 1xac s VAL 108 Cb -0.07 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1xac s VAL 108 CO 0.00 0.18 1.43 -0.36 0.00 0.00 0.00 175.10 176.35 1xac s PHE 109 N 1.34 2.33 0.01 5.22 0.08 -1.26 -4.55 117.98 121.15 1xac s PHE 109 Ca 0.00 0.59 -0.01 0.00 0.12 0.00 0.00 56.93 57.64 1xac s PHE 109 Cb -0.17 -4.34 0.02 0.00 -0.57 0.00 0.00 43.02 37.96 1xac s PHE 109 CO -0.04 -1.99 0.08 0.39 -0.10 0.00 0.00 175.22 173.56 1xac n GLU 110 N 8.35 -0.01 0.21 0.44 4.71 -1.26 0.67 120.64 133.76 1xac n GLU 110 Ca 0.15 0.08 0.08 0.00 -0.01 0.00 0.00 57.16 57.46 1xac n GLU 110 Cb 0.49 -0.12 0.46 0.00 -1.01 0.00 0.00 31.44 31.26 1xac n GLU 110 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1xac h SER 111 N 0.00 0.00 -0.57 1.62 0.02 -1.94 -1.71 113.55 110.97 1xac h SER 111 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1xac h SER 111 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1xac h SER 111 CO -0.05 0.28 0.00 0.18 -1.14 0.00 0.00 176.83 176.10 1xac n LEU 112 N -3.57 5.34 -0.21 5.07 4.77 0.21 -4.68 117.00 123.94 1xac n LEU 112 Ca -0.01 -2.81 -0.08 0.00 -0.03 0.00 0.00 56.01 53.09 1xac n LEU 112 Cb 0.42 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 1xac n LEU 112 CO 0.35 0.68 0.58 0.28 -1.33 0.00 0.00 177.39 177.95 1xac h SER 113 N 3.86 -1.45 0.00 -1.43 0.02 -1.33 -2.22 113.55 110.99 1xac h SER 113 Ca 0.00 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1xac h SER 113 Cb 1.80 0.67 0.00 0.00 0.14 0.00 0.00 62.40 65.01 1xac h SER 113 CO 0.40 -0.33 0.03 0.47 -1.14 0.00 0.00 176.83 176.26 1xac n ASP 114 N -5.41 0.00 -0.35 3.07 9.92 -1.26 -0.32 116.55 122.20 1xac n ASP 114 Ca 0.02 0.12 0.11 0.00 -0.53 0.00 0.00 54.79 54.50 1xac n ASP 114 Cb 0.35 -0.12 -0.04 0.00 -0.64 0.00 0.00 41.12 40.67 1xac n ASP 114 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xac n ALA 115 N -1.05 3.87 -1.78 2.24 0.00 -0.84 -4.94 120.51 118.01 1xac n ALA 115 Ca 0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 53.44 52.47 1xac n ALA 115 Cb 0.03 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 1xac n ALA 115 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xac s SER 116 N -2.58 6.01 0.37 0.00 0.15 0.57 -3.73 113.70 114.48 1xac s SER 116 Ca 0.15 2.04 0.19 0.00 0.70 0.00 0.00 55.95 59.04 1xac s SER 116 Cb 0.17 -2.57 0.61 0.00 -1.71 0.00 0.00 66.02 62.52 1xac s SER 116 CO 0.64 -1.02 1.70 -0.65 1.20 0.00 0.00 173.24 175.11 1xac h PRO 117 N 1.33 0.00 -6.60 5.44 0.11 -1.80 -3.45 132.00 127.02 1xac h PRO 117 Ca -0.50 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.10 1xac h PRO 117 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1xac h PRO 117 CO 0.58 0.37 -0.02 -0.51 -0.21 0.00 0.00 178.00 178.21 1xac s LEU 118 N -6.88 4.05 0.69 2.35 1.43 -1.26 -5.03 118.68 114.03 1xac s LEU 118 Ca 0.01 1.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.96 1xac s LEU 118 Cb 0.10 -3.82 0.02 0.00 0.03 0.00 0.00 46.19 42.52 1xac s LEU 118 CO 0.69 -0.20 1.25 -0.54 0.23 0.00 0.00 176.35 177.78 1xac s LYS 119 N -3.21 2.31 0.18 1.70 1.02 -1.26 -4.81 119.74 115.66 1xac s LYS 119 Ca 0.49 1.91 -0.27 0.00 0.02 0.00 0.00 55.97 58.12 1xac s LYS 119 Cb -0.11 -1.84 0.02 0.00 -0.52 0.00 0.00 37.83 35.39 1xac s LYS 119 CO 0.24 -1.74 1.55 -0.22 -0.92 0.00 0.00 175.35 174.26 1xac h LYS 120 N 0.09 -0.09 0.00 1.68 3.64 -1.93 0.12 116.57 120.08 1xac h LYS 120 Ca -0.49 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1xac h LYS 120 Cb 1.32 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1xac h LYS 120 CO 0.51 -0.06 0.17 -0.85 -2.27 0.00 0.00 179.45 176.95 1xac n GLU 121 N -5.35 0.06 -0.01 1.90 0.28 -1.26 -1.39 120.64 114.87 1xac n GLU 121 Ca 0.03 0.49 -0.09 0.00 -0.16 0.00 0.00 57.16 57.43 1xac n GLU 121 Cb 0.32 -1.85 -0.14 0.00 1.43 0.00 0.00 31.44 31.20 1xac n GLU 121 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 1xac h TYR 122 N 0.00 0.02 0.00 -1.84 -1.99 -1.29 -3.38 116.97 108.49 1xac h TYR 122 Ca 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1xac h TYR 122 Cb 0.34 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.07 1xac h TYR 122 CO 0.00 1.03 -0.92 0.44 -0.00 0.00 0.00 178.16 178.71 1xac n ILE 123 N -3.11 0.28 -1.63 -2.88 -5.35 -0.49 -4.24 119.36 101.94 1xac n ILE 123 Ca -0.15 -0.29 -0.48 0.00 -0.27 0.00 0.00 62.75 61.56 1xac n ILE 123 Cb 1.04 0.03 -0.04 0.00 -1.74 0.00 0.00 39.64 38.92 1xac n ILE 123 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1xac n ASP 124 N -2.10 2.18 -0.03 7.28 8.00 -1.02 -1.97 116.55 128.89 1xac n ASP 124 Ca 0.02 1.12 -0.00 0.00 0.71 0.00 0.00 54.79 56.64 1xac n ASP 124 Cb 0.45 -1.31 -0.00 0.00 -0.02 0.00 0.00 41.12 40.24 1xac n ASP 124 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xac n ASN 125 N 2.46 -4.56 -4.65 -2.24 5.03 -1.26 -4.67 115.26 105.37 1xac n ASN 125 Ca 0.15 0.01 -0.43 0.00 0.87 0.00 0.00 54.58 55.18 1xac n ASN 125 Cb 0.26 -2.09 -0.03 0.00 -1.02 0.00 0.00 39.78 36.90 1xac n ASN 125 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1xac n VAL 126 N -2.48 0.68 -3.40 2.41 0.31 -0.83 -4.75 118.33 110.26 1xac n VAL 126 Ca -0.00 -0.19 -0.14 0.00 -0.01 0.00 0.00 64.34 64.00 1xac n VAL 126 Cb 0.26 -2.30 -0.10 0.00 -0.91 0.00 0.00 33.84 30.79 1xac n VAL 126 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xac s ASP 127 N 5.07 0.96 0.17 4.52 2.15 -1.26 -2.76 116.67 125.51 1xac s ASP 127 Ca 0.92 -0.20 -0.04 0.00 0.43 0.00 0.00 52.55 53.66 1xac s ASP 127 Cb -0.45 0.74 -0.03 0.00 -0.30 0.00 0.00 42.92 42.87 1xac s ASP 127 CO 0.42 -0.33 0.17 0.72 -0.17 0.00 0.00 175.17 175.98 1xac s PHE 128 N 2.43 0.81 -0.09 -5.34 -0.12 -0.85 -4.30 117.98 110.51 1xac s PHE 128 Ca 0.10 -1.13 -0.01 0.00 -0.05 0.00 0.00 56.93 55.84 1xac s PHE 128 Cb -0.15 -0.35 0.03 0.00 -0.63 0.00 0.00 43.02 41.92 1xac s PHE 128 CO -0.20 -0.64 -0.01 0.08 -0.05 0.00 0.00 175.22 174.40 1xac s VAL 129 N -4.06 0.49 -0.34 -2.49 1.01 0.17 -2.13 120.40 113.04 1xac s VAL 129 Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.06 1xac s VAL 129 Cb 0.06 -0.66 -0.00 0.00 0.00 0.00 0.00 36.38 35.78 1xac s VAL 129 CO 0.05 0.24 0.57 -0.63 0.00 0.00 0.00 175.10 175.33 1xac s ILE 130 N 1.92 4.96 -0.28 2.22 1.01 -0.63 -0.62 121.20 129.78 1xac s ILE 130 Ca 0.04 0.51 -0.11 0.00 0.00 0.00 0.00 60.65 61.10 1xac s ILE 130 Cb -0.13 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1xac s ILE 130 CO -0.06 -0.23 0.18 0.68 0.00 0.00 0.00 174.94 175.51 1xac s VAL 131 N 2.53 5.18 -0.13 2.92 -7.23 0.04 -2.35 120.40 121.37 1xac s VAL 131 Ca 0.22 0.09 -0.11 0.00 -1.81 0.00 0.00 61.98 60.37 1xac s VAL 131 Cb -0.15 -3.48 -0.05 0.00 0.56 0.00 0.00 36.38 33.26 1xac s VAL 131 CO 0.14 0.24 0.23 -0.60 -0.31 0.00 0.00 175.10 174.79 1xac s ARG 132 N 1.74 3.92 0.67 4.82 3.52 -0.36 -2.50 118.95 130.75 1xac s ARG 132 Ca 0.07 0.01 -0.16 0.00 -0.13 0.00 0.00 55.73 55.51 1xac s ARG 132 Cb -0.16 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.92 1xac s ARG 132 CO 0.10 0.50 1.20 -2.00 -0.81 0.00 0.00 175.30 174.29 1xac s GLU 133 N -0.30 2.55 0.00 5.12 -6.30 -0.34 -1.10 118.70 118.32 1xac s GLU 133 Ca 0.15 1.74 0.00 0.00 -2.50 0.00 0.00 54.97 54.37 1xac s GLU 133 Cb -0.13 -1.88 0.00 0.00 0.00 0.00 0.00 34.13 32.12 1xac s GLU 133 CO 0.04 -1.52 0.00 1.28 0.02 0.00 0.00 175.26 175.09 1xac n LEU 134 N -2.24 0.00 -0.22 2.70 4.77 -0.51 -3.89 117.00 117.61 1xac n LEU 134 Ca 0.13 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.14 1xac n LEU 134 Cb 0.50 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1xac n LEU 134 CO 0.46 0.00 0.36 0.35 -1.33 0.00 0.00 177.39 177.24 1xac n THR 135 N -1.64 0.15 -3.30 -5.08 -2.24 -1.26 -5.02 114.28 95.89 1xac n THR 135 Ca 0.00 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1xac n THR 135 Cb 0.15 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1xac n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xac n GLY 136 N 0.24 6.27 7.00 3.38 0.00 -1.26 -4.80 105.19 116.02 1xac n GLY 136 Ca 0.03 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1xac n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xac n GLY 137 N 3.72 -1.34 0.32 -0.02 0.00 -1.21 -4.21 105.19 102.46 1xac n GLY 137 Ca 0.00 -1.24 0.17 0.00 0.00 0.00 0.00 46.02 44.95 1xac n GLY 137 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xac h ILE 138 N 0.00 0.39 -0.03 -0.61 2.10 -1.86 0.23 117.51 117.74 1xac h ILE 138 Ca 0.00 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.85 1xac h ILE 138 Cb 0.00 0.90 -0.01 0.00 -1.09 0.00 0.00 36.82 36.62 1xac h ILE 138 CO 0.00 0.00 -0.40 1.88 -1.08 0.00 0.00 178.15 178.55 1xac h TYR 139 N 0.00 0.07 0.00 2.19 0.05 -1.84 -3.34 116.97 114.10 1xac h TYR 139 Ca 0.04 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1xac h TYR 139 Cb 0.28 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 1xac h TYR 139 CO 0.00 0.46 -1.09 1.19 -1.05 0.00 0.00 178.16 177.67 1xac n PHE 140 N -4.05 0.00 -0.66 4.88 3.72 -0.38 -5.04 117.46 115.93 1xac n PHE 140 Ca -0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.08 1xac n PHE 140 Cb 0.44 -0.05 0.19 0.00 -0.94 0.00 0.00 39.48 39.12 1xac n PHE 140 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1xac s GLY 141 N -2.44 1.64 0.06 1.37 0.00 0.68 -5.00 107.32 103.63 1xac s GLY 141 Ca -0.01 0.37 -0.14 0.00 0.00 0.00 0.00 44.72 44.94 1xac s GLY 141 CO 0.07 0.88 0.32 1.85 0.00 0.00 0.00 173.10 176.22 1xac s GLU 142 N -4.60 0.86 0.80 2.90 2.12 -1.26 -4.42 118.70 115.11 1xac s GLU 142 Ca 0.67 -0.56 -0.11 0.00 0.36 0.00 0.00 54.97 55.34 1xac s GLU 142 Cb -0.23 0.37 0.08 0.00 0.26 0.00 0.00 34.13 34.61 1xac s GLU 142 CO 0.60 -0.29 1.10 -1.25 -0.54 0.00 0.00 175.26 174.88 1xac s PRO 143 N -2.83 1.99 0.07 4.30 0.04 -1.26 -4.79 135.00 132.51 1xac s PRO 143 Ca -0.03 1.19 -0.08 0.00 0.04 0.00 0.00 61.00 62.12 1xac s PRO 143 Cb 0.00 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.67 1xac s PRO 143 CO -0.05 -1.84 0.16 -0.98 0.04 0.00 0.00 177.00 174.33 1xac s ARG 144 N -4.87 0.75 0.00 4.56 1.70 -1.26 -2.72 118.95 117.12 1xac s ARG 144 Ca 0.62 -0.86 0.00 0.00 -0.47 0.00 0.00 55.73 55.02 1xac s ARG 144 Cb -0.18 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.50 1xac s ARG 144 CO 0.56 -0.22 0.00 0.41 -1.08 0.00 0.00 175.30 174.97 1xac n GLY 145 N 0.26 -1.26 3.63 3.88 0.00 -0.79 -4.89 105.19 106.03 1xac n GLY 145 Ca -0.16 -0.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.96 1xac n GLY 145 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xac s MET 146 N -0.31 0.51 0.00 1.61 0.00 -1.26 -2.61 119.30 117.25 1xac s MET 146 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 55.69 56.60 1xac s MET 146 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 34.83 34.98 1xac s MET 146 CO 0.00 -0.11 0.00 0.43 0.00 0.00 0.00 175.02 175.34 1xac n SER 147 N 4.08 1.71 0.06 1.11 7.64 0.35 -4.95 113.62 123.63 1xac n SER 147 Ca -0.18 -0.45 -0.20 0.00 1.01 0.00 0.00 58.87 59.05 1xac n SER 147 Cb 0.58 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.67 1xac n SER 147 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1xac h GLU 148 N 0.00 0.64 0.10 1.43 4.22 -2.06 -3.37 114.58 115.54 1xac h GLU 148 Ca 0.00 -0.74 -0.28 0.00 0.08 0.00 0.00 59.36 58.43 1xac h GLU 148 Cb 0.00 0.22 0.02 0.00 0.50 0.00 0.00 28.75 29.49 1xac h GLU 148 CO 0.00 1.32 -1.19 0.00 -2.18 0.00 0.00 179.01 176.96 1xac h ALA 149 N 0.42 0.10 -2.93 2.92 0.00 -2.05 -3.48 119.26 114.24 1xac h ALA 149 Ca -0.14 -0.79 0.01 0.00 0.00 0.00 0.00 54.91 53.99 1xac h ALA 149 Cb 1.76 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.53 1xac h ALA 149 CO 0.21 0.79 0.10 -1.83 0.00 0.00 0.00 179.25 178.52 1xac s GLU 150 N -2.94 1.62 0.02 0.00 -1.05 -1.26 -5.16 118.70 109.91 1xac s GLU 150 Ca -0.07 -1.00 0.02 0.00 -0.15 0.00 0.00 54.97 53.77 1xac s GLU 150 Cb 0.07 0.55 -0.01 0.00 -0.44 0.00 0.00 34.13 34.30 1xac s GLU 150 CO 0.91 -0.71 -0.07 0.00 0.95 0.00 0.00 175.26 176.33 1xac s ALA 151 N -3.93 0.59 0.13 -0.84 0.00 -1.26 0.13 121.76 116.59 1xac s ALA 151 Ca 0.13 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 1xac s ALA 151 Cb -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1xac s ALA 151 CO 0.04 0.09 0.14 1.67 0.00 0.00 0.00 175.76 177.70 1xac s TRP 152 N -0.61 0.64 -0.28 0.00 -0.00 -1.07 -4.95 118.94 112.66 1xac s TRP 152 Ca -0.02 -1.02 -0.19 0.00 -0.00 0.00 0.00 56.10 54.87 1xac s TRP 152 Cb -0.05 -0.30 0.11 0.00 -0.00 0.00 0.00 33.47 33.22 1xac s TRP 152 CO 0.00 -0.58 0.85 -0.80 -0.00 0.00 0.00 176.95 176.42 1xac s ASN 153 N -3.00 -0.69 0.08 -2.66 0.02 -1.26 -1.88 114.94 105.56 1xac s ASN 153 Ca 0.19 1.16 0.03 0.00 -1.02 0.00 0.00 52.86 53.22 1xac s ASN 153 Cb 0.06 1.25 -0.04 0.00 0.02 0.00 0.00 41.25 42.54 1xac s ASN 153 CO -0.00 -0.19 0.10 -0.89 0.02 0.00 0.00 177.10 176.14 1xac s THR 154 N 1.13 4.66 -0.23 1.60 2.01 -1.10 -5.01 115.64 118.70 1xac s THR 154 Ca -0.06 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 1xac s THR 154 Cb -0.05 -3.26 0.02 0.00 0.01 0.00 0.00 72.50 69.23 1xac s THR 154 CO -0.13 0.11 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.12 1xac s GLU 155 N -2.45 2.88 0.03 4.92 2.56 -1.26 -3.69 118.70 121.68 1xac s GLU 155 Ca 0.30 -0.93 0.04 0.00 0.00 0.00 0.00 54.97 54.38 1xac s GLU 155 Cb -0.12 -2.88 -0.02 0.00 2.00 0.00 0.00 34.13 33.11 1xac s GLU 155 CO 0.23 -0.35 -0.13 0.50 -0.56 0.00 0.00 175.26 174.95 1xac s ARG 156 N 1.31 0.92 -0.11 4.30 3.52 -1.26 -4.87 118.95 122.77 1xac s ARG 156 Ca 0.01 -0.66 -0.14 0.00 -0.13 0.00 0.00 55.73 54.81 1xac s ARG 156 Cb -0.16 -0.91 0.03 0.00 -1.56 0.00 0.00 34.95 32.36 1xac s ARG 156 CO -0.06 0.23 0.38 0.71 -0.81 0.00 0.00 175.30 175.74 1xac s TYR 157 N -0.71 -0.36 0.30 5.12 2.02 -1.26 -3.33 117.35 119.12 1xac s TYR 157 Ca 0.02 0.83 0.08 0.00 -0.37 0.00 0.00 57.07 57.63 1xac s TYR 157 Cb -0.07 0.14 -0.04 0.00 -0.40 0.00 0.00 41.96 41.59 1xac s TYR 157 CO 0.01 -0.27 0.14 -1.12 -1.57 0.00 0.00 175.55 172.73 1xac s SER 158 N -0.27 4.95 0.15 2.29 0.01 -1.26 -5.01 113.70 114.56 1xac s SER 158 Ca -0.04 -0.56 -0.17 0.00 1.31 0.00 0.00 55.95 56.49 1xac s SER 158 Cb -0.03 -0.97 0.06 0.00 0.21 0.00 0.00 66.02 65.29 1xac s SER 158 CO 0.02 -0.15 1.72 0.50 0.41 0.00 0.00 173.24 175.73 1xac h LYS 159 N 1.59 0.13 -0.39 12.44 3.64 -2.00 -2.64 116.57 129.34 1xac h LYS 159 Ca -0.45 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 58.99 1xac h LYS 159 Cb 1.25 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.95 1xac h LYS 159 CO 0.61 0.09 -0.37 -1.00 -2.27 0.00 0.00 179.45 176.51 1xac h PRO 160 N 0.14 -0.28 -0.38 1.90 0.13 -1.98 0.84 132.00 132.36 1xac h PRO 160 Ca 0.16 0.02 0.10 0.00 -0.87 0.00 0.00 66.00 65.41 1xac h PRO 160 Cb 0.20 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.38 1xac h PRO 160 CO -0.24 -0.19 0.27 0.93 -0.23 0.00 0.00 178.00 178.53 1xac h GLU 161 N -0.30 0.07 0.22 0.86 5.08 -1.88 -0.26 114.58 118.37 1xac h GLU 161 Ca 0.15 -0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.19 1xac h GLU 161 Cb 0.56 -0.02 0.03 0.00 0.50 0.00 0.00 28.75 29.83 1xac h GLU 161 CO -0.55 0.04 -1.43 0.28 -1.00 0.00 0.00 179.01 176.36 1xac h VAL 162 N 0.07 1.25 -0.63 3.13 2.07 -0.59 -3.29 116.25 118.26 1xac h VAL 162 Ca 0.18 -2.63 -0.07 0.00 0.82 0.00 0.00 66.70 64.99 1xac h VAL 162 Cb 0.62 3.01 -0.03 0.00 -1.52 0.00 0.00 31.29 33.37 1xac h VAL 162 CO -0.01 0.80 0.11 -0.33 0.02 0.00 0.00 177.57 178.16 1xac h GLU 163 N 0.05 1.01 0.08 1.57 5.08 -0.38 -1.19 114.58 120.80 1xac h GLU 163 Ca -0.26 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1xac h GLU 163 Cb 2.07 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 31.15 1xac h GLU 163 CO 0.24 0.93 -0.29 0.00 -1.00 0.00 0.00 179.01 178.88 1xac h ARG 164 N 0.96 -0.47 -0.21 2.33 3.08 -1.14 -0.86 114.38 118.07 1xac h ARG 164 Ca 0.20 0.03 -0.15 0.00 0.07 0.00 0.00 59.98 60.13 1xac h ARG 164 Cb 0.40 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1xac h ARG 164 CO 0.01 -0.31 -0.48 -0.24 -1.07 0.00 0.00 179.97 177.88 1xac h VAL 165 N -0.49 1.31 -0.86 2.04 3.04 -1.60 -2.93 116.25 116.76 1xac h VAL 165 Ca 0.04 -1.69 -0.00 0.00 -1.01 0.00 0.00 66.70 64.04 1xac h VAL 165 Cb 0.53 1.67 -0.04 0.00 -2.01 0.00 0.00 31.29 31.44 1xac h VAL 165 CO -0.19 0.53 0.53 0.00 -1.01 0.00 0.00 177.57 177.42 1xac h ALA 166 N 1.02 1.31 -0.20 3.17 0.00 -0.69 -1.96 119.26 121.90 1xac h ALA 166 Ca 0.02 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1xac h ALA 166 Cb 1.00 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1xac h ALA 166 CO 0.09 0.60 -0.42 0.00 0.00 0.00 0.00 179.25 179.53 1xac h ARG 167 N 1.19 0.48 -0.58 0.00 3.08 -1.00 -1.39 114.38 116.16 1xac h ARG 167 Ca 0.31 -0.25 0.08 0.00 0.07 0.00 0.00 59.98 60.19 1xac h ARG 167 Cb -0.06 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 1xac h ARG 167 CO -0.06 0.81 0.24 0.28 -1.07 0.00 0.00 179.97 180.17 1xac h VAL 168 N 0.40 0.83 -0.14 2.04 2.07 -1.33 -0.32 116.25 119.79 1xac h VAL 168 Ca 0.03 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 1xac h VAL 168 Cb 0.90 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1xac h VAL 168 CO 0.08 0.08 -0.45 0.00 0.02 0.00 0.00 177.57 177.30 1xac h ALA 169 N 1.37 0.97 -0.01 1.67 0.00 -0.51 0.60 119.26 123.34 1xac h ALA 169 Ca 0.28 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1xac h ALA 169 Cb 0.30 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xac h ALA 169 CO -0.26 0.63 -0.40 0.74 0.00 0.00 0.00 179.25 179.97 1xac h PHE 170 N 0.29 0.43 -0.88 0.00 0.04 -1.05 -2.08 116.94 113.68 1xac h PHE 170 Ca 0.02 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.57 1xac h PHE 170 Cb 0.90 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.96 1xac h PHE 170 CO 0.02 1.02 0.55 0.93 -0.60 0.00 0.00 178.31 180.24 1xac h GLU 171 N -0.29 1.18 0.00 1.51 4.39 -0.95 0.11 114.58 120.53 1xac h GLU 171 Ca -0.05 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 1xac h GLU 171 Cb 1.13 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1xac h GLU 171 CO 0.08 0.81 -0.14 0.00 -1.16 0.00 0.00 179.01 178.60 1xac h ALA 172 N 1.41 1.51 0.06 3.43 0.00 0.24 -2.50 119.26 123.41 1xac h ALA 172 Ca 0.32 -0.12 -0.28 0.00 0.00 0.00 0.00 54.91 54.83 1xac h ALA 172 Cb -0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xac h ALA 172 CO -0.06 0.17 -1.41 0.00 0.00 0.00 0.00 179.25 177.94 1xac h ALA 173 N 1.86 0.38 -0.96 0.00 0.00 -0.12 -3.30 119.26 117.12 1xac h ALA 173 Ca -0.00 -1.12 0.28 0.00 0.00 0.00 0.00 54.91 54.07 1xac h ALA 173 Cb 0.29 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1xac h ALA 173 CO 0.02 1.25 0.71 0.00 0.00 0.00 0.00 179.25 181.23 1xac h ARG 174 N 0.04 0.00 0.00 0.00 3.08 -0.59 -1.14 114.38 115.77 1xac h ARG 174 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1xac h ARG 174 Cb 1.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.00 1xac h ARG 174 CO 0.14 0.00 -0.54 0.87 -1.07 0.00 0.00 179.97 179.37 1xac h LYS 175 N 0.00 0.00 0.00 0.04 1.57 -1.66 -3.44 116.57 113.08 1xac h LYS 175 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1xac h LYS 175 Cb 1.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.19 1xac h LYS 175 CO -0.00 0.00 0.00 2.89 -0.57 0.00 0.00 179.45 181.77 1xac n ARG 176 N -2.26 2.79 0.00 3.15 1.85 -0.50 -5.00 116.66 116.69 1xac n ARG 176 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 1xac n ARG 176 Cb 0.46 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.87 1xac n ARG 176 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1xac n ARG 177 N 0.00 0.25 -3.78 2.89 1.74 -1.26 -4.84 116.66 111.66 1xac n ARG 177 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 1xac n ARG 177 Cb 0.00 -1.17 0.03 0.00 -1.02 0.00 0.00 32.46 30.30 1xac n ARG 177 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xac n LYS 178 N 0.47 -5.26 -3.71 5.56 4.01 -0.81 -4.97 118.16 113.45 1xac n LYS 178 Ca 0.00 0.62 -0.12 0.00 -0.51 0.00 0.00 58.31 58.30 1xac n LYS 178 Cb 0.07 -5.32 -0.13 0.00 -0.51 0.00 0.00 35.03 29.14 1xac n LYS 178 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1xac s HIS 179 N -3.52 -0.39 0.02 2.13 3.76 -1.26 -2.77 115.29 113.26 1xac s HIS 179 Ca 0.28 0.89 -0.00 0.00 -0.15 0.00 0.00 55.06 56.08 1xac s HIS 179 Cb -0.14 0.07 -0.04 0.00 1.11 0.00 0.00 32.58 33.58 1xac s HIS 179 CO 0.82 -0.27 0.12 0.08 -0.85 0.00 0.00 174.74 174.64 1xac s VAL 180 N 1.47 4.94 -0.15 -0.90 1.01 -0.07 -2.23 120.40 124.46 1xac s VAL 180 Ca -0.08 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1xac s VAL 180 Cb -0.10 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1xac s VAL 180 CO -0.09 0.28 -0.20 -0.69 0.00 0.00 0.00 175.10 174.40 1xac s VAL 181 N -1.30 1.94 0.30 2.92 1.01 -0.61 -1.90 120.40 122.76 1xac s VAL 181 Ca 0.27 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 1xac s VAL 181 Cb -0.12 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1xac s VAL 181 CO 0.18 0.52 0.54 -0.55 0.00 0.00 0.00 175.10 175.79 1xac s SER 182 N 1.03 6.38 -0.10 3.32 0.15 0.18 -1.47 113.70 123.19 1xac s SER 182 Ca -0.03 0.59 0.02 0.00 0.70 0.00 0.00 55.95 57.24 1xac s SER 182 Cb -0.14 -2.09 0.01 0.00 -1.71 0.00 0.00 66.02 62.08 1xac s SER 182 CO -0.06 -0.22 -0.17 -0.69 1.20 0.00 0.00 173.24 173.31 1xac s VAL 183 N -2.15 1.57 0.00 4.45 1.01 -0.82 -0.73 120.40 123.72 1xac s VAL 183 Ca 0.42 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1xac s VAL 183 Cb -0.10 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1xac s VAL 183 CO 0.32 0.45 0.00 -0.90 0.00 0.00 0.00 175.10 174.98 1xac n ASP 184 N 3.94 0.00 -2.92 3.32 5.68 -0.32 -4.56 116.55 121.69 1xac n ASP 184 Ca -0.20 -0.64 -0.20 0.00 -0.50 0.00 0.00 54.79 53.25 1xac n ASP 184 Cb 0.52 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.48 1xac n ASP 184 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1xac n LYS 185 N 0.00 1.98 0.00 0.11 3.00 -1.26 0.19 118.16 122.18 1xac n LYS 185 Ca 0.00 -3.92 0.12 0.00 -0.00 0.00 0.00 58.31 54.50 1xac n LYS 185 Cb 0.00 -1.84 0.55 0.00 0.00 0.00 0.00 35.03 33.74 1xac n LYS 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xac n ALA 186 N -0.04 2.15 1.30 3.14 0.00 -1.26 -1.08 120.51 124.72 1xac n ALA 186 Ca 0.26 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.73 1xac n ALA 186 Cb 0.62 -1.39 0.40 0.00 0.00 0.00 0.00 19.45 19.08 1xac n ALA 186 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1xac n ASN 187 N -1.40 1.93 0.00 0.00 0.23 -1.26 -4.50 115.26 110.26 1xac n ASN 187 Ca 0.08 -1.66 0.00 0.00 -0.53 0.00 0.00 54.58 52.48 1xac n ASN 187 Cb 0.24 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1xac n ASN 187 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1xac n VAL 188 N 0.50 0.00 -3.95 3.53 0.31 -1.05 -5.11 118.33 112.56 1xac n VAL 188 Ca 0.18 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.22 1xac n VAL 188 Cb 0.41 -0.61 -0.04 0.00 -0.91 0.00 0.00 33.84 32.69 1xac n VAL 188 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1xac s LEU 189 N -4.86 4.27 -0.01 7.52 1.43 -0.24 -5.04 118.68 121.75 1xac s LEU 189 Ca 0.00 0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1xac s LEU 189 Cb 0.00 -2.87 -0.30 0.00 0.03 0.00 0.00 46.19 43.05 1xac s LEU 189 CO 0.00 0.12 0.83 1.05 0.23 0.00 0.00 176.35 178.58 1xac h GLU 190 N 2.72 0.34 -0.98 1.70 9.09 -1.90 -2.44 114.58 123.11 1xac h GLU 190 Ca -0.47 -0.58 0.23 0.00 0.05 0.00 0.00 59.36 58.60 1xac h GLU 190 Cb 1.18 0.21 -0.12 0.00 -1.65 0.00 0.00 28.75 28.37 1xac h GLU 190 CO 0.72 1.23 0.55 0.28 0.05 0.00 0.00 179.01 181.84 1xac h VAL 191 N 0.09 0.57 -0.10 -1.06 2.07 -1.94 0.58 116.25 116.46 1xac h VAL 191 Ca -0.27 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 1xac h VAL 191 Cb 2.06 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1xac h VAL 191 CO 0.18 0.11 -0.41 1.23 0.02 0.00 0.00 177.57 178.70 1xac h GLY 192 N 0.58 0.24 0.79 2.17 0.00 -1.76 -1.20 103.07 103.90 1xac h GLY 192 Ca 0.61 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 1xac h GLY 192 CO -0.46 0.21 0.02 -2.09 0.00 0.00 0.00 176.54 174.21 1xac h GLU 193 N 0.19 0.19 -0.09 4.80 4.81 0.55 -1.74 114.58 123.28 1xac h GLU 193 Ca 0.02 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1xac h GLU 193 Cb 0.80 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 1xac h GLU 193 CO 0.06 0.40 -0.04 0.35 -0.73 0.00 0.00 179.01 179.05 1xac h PHE 194 N -0.05 -0.09 -0.06 0.92 3.57 -1.04 0.29 116.94 120.49 1xac h PHE 194 Ca 0.03 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1xac h PHE 194 Cb 0.30 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 1xac h PHE 194 CO 0.02 -0.07 -0.24 2.35 -2.23 0.00 0.00 178.31 178.14 1xac h TRP 195 N -0.03 -0.65 -0.49 0.41 2.91 -1.22 -2.02 115.95 114.86 1xac h TRP 195 Ca 0.05 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.07 1xac h TRP 195 Cb 0.11 0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 29.03 1xac h TRP 195 CO -0.16 -0.33 0.19 -0.09 -1.03 0.00 0.00 178.44 177.02 1xac h ARG 196 N -0.34 0.71 0.01 2.65 2.43 -0.32 -1.86 114.38 117.66 1xac h ARG 196 Ca 0.08 -0.10 -0.21 0.00 -0.81 0.00 0.00 59.98 58.94 1xac h ARG 196 Cb 0.46 -0.13 0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1xac h ARG 196 CO -0.26 0.59 -0.83 1.57 -1.51 0.00 0.00 179.97 179.53 1xac h LYS 197 N 0.70 0.54 0.30 0.20 2.10 -0.84 -2.68 116.57 116.89 1xac h LYS 197 Ca 0.17 -0.60 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1xac h LYS 197 Cb 0.16 0.17 -0.03 0.00 -0.90 0.00 0.00 32.23 31.63 1xac h LYS 197 CO -0.01 1.22 -0.38 1.15 -2.00 0.00 0.00 179.45 179.42 1xac h THR 198 N 0.11 0.22 -0.50 0.07 2.02 -0.61 -0.69 112.91 113.53 1xac h THR 198 Ca -0.11 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.22 1xac h THR 198 Cb 1.52 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1xac h THR 198 CO 0.16 0.00 0.36 0.58 0.37 0.00 0.00 175.52 176.99 1xac h VAL 199 N -0.73 0.75 -0.00 3.16 2.07 -1.45 0.28 116.25 120.33 1xac h VAL 199 Ca -0.01 -0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.32 1xac h VAL 199 Cb 0.69 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1xac h VAL 199 CO -0.12 0.00 -0.84 -0.33 0.02 0.00 0.00 177.57 176.30 1xac h GLU 200 N 0.01 0.13 0.49 1.57 4.39 -0.98 -2.23 114.58 117.97 1xac h GLU 200 Ca 0.24 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1xac h GLU 200 Cb 0.94 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1xac h GLU 200 CO -0.00 0.90 -0.24 1.49 -1.16 0.00 0.00 179.01 179.99 1xac h GLU 201 N 0.08 -0.64 -0.03 2.33 4.81 0.98 -3.00 114.58 119.11 1xac h GLU 201 Ca -0.03 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1xac h GLU 201 Cb 1.46 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.98 1xac h GLU 201 CO 0.12 -0.35 0.06 0.28 -0.73 0.00 0.00 179.01 178.40 1xac h VAL 202 N -0.87 0.23 0.00 0.32 2.07 -1.33 0.15 116.25 116.83 1xac h VAL 202 Ca -0.07 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 1xac h VAL 202 Cb 0.59 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1xac h VAL 202 CO 0.11 0.00 -0.29 1.23 0.02 0.00 0.00 177.57 178.64 1xac h GLY 203 N 0.00 0.00 0.95 2.17 0.00 -1.25 -3.16 103.07 101.79 1xac h GLY 203 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.37 1xac h GLY 203 CO -0.00 0.00 0.65 3.21 0.00 0.00 0.00 176.54 180.40 1xac h ARG 204 N 0.00 1.25 0.00 4.80 3.08 -0.98 -1.80 114.38 120.74 1xac h ARG 204 Ca -0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1xac h ARG 204 Cb 0.76 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1xac h ARG 204 CO 0.04 0.83 0.00 0.78 -1.07 0.00 0.00 179.97 180.54 1xac h GLY 205 N 1.29 0.00 -5.12 0.04 0.00 -1.69 -3.32 103.07 94.26 1xac h GLY 205 Ca 0.38 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 47.05 1xac h GLY 205 CO -0.10 0.00 -0.05 -1.72 0.00 0.00 0.00 176.54 174.67 1xac n TYR 206 N -2.72 3.41 0.00 5.60 4.02 -0.67 -4.93 117.16 121.87 1xac n TYR 206 Ca 0.01 -3.12 0.00 0.00 -0.01 0.00 0.00 57.90 54.79 1xac n TYR 206 Cb 0.27 -0.61 0.00 0.00 -0.02 0.00 0.00 39.34 38.99 1xac n TYR 206 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1xac n PRO 207 N -0.36 0.00 -0.10 -0.72 -0.04 -1.25 -1.70 135.00 130.84 1xac n PRO 207 Ca 0.41 0.11 0.10 0.00 -0.04 0.00 0.00 63.50 64.08 1xac n PRO 207 Cb 0.43 -1.52 0.14 0.00 -0.04 0.00 0.00 33.50 32.51 1xac n PRO 207 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xac n ASP 208 N -1.06 2.94 -4.21 3.54 5.75 -1.26 -4.84 116.55 117.40 1xac n ASP 208 Ca 0.00 -1.87 -0.32 0.00 -0.01 0.00 0.00 54.79 52.59 1xac n ASP 208 Cb 0.02 -0.13 -0.17 0.00 -1.03 0.00 0.00 41.12 39.81 1xac n ASP 208 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xac s VAL 209 N -1.43 2.05 0.34 2.12 1.01 -0.69 -4.90 120.40 118.90 1xac s VAL 209 Ca 0.28 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.10 1xac s VAL 209 Cb 0.18 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 1xac s VAL 209 CO 0.25 0.56 0.77 0.00 0.00 0.00 0.00 175.10 176.68 1xac s ALA 210 N 0.40 3.28 -0.07 5.51 0.00 -1.11 -4.93 121.76 124.83 1xac s ALA 210 Ca -0.18 0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1xac s ALA 210 Cb -0.18 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.13 1xac s ALA 210 CO 0.08 0.30 -0.15 -1.17 0.00 0.00 0.00 175.76 174.82 1xac s LEU 211 N -3.02 1.76 0.16 0.00 2.96 -1.26 -0.89 118.68 118.39 1xac s LEU 211 Ca 0.55 -0.36 0.08 0.00 -0.22 0.00 0.00 54.13 54.18 1xac s LEU 211 Cb -0.10 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 1xac s LEU 211 CO 0.17 0.07 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.41 1xac s GLU 212 N 0.56 1.21 0.24 1.98 2.12 -0.80 -4.99 118.70 119.02 1xac s GLU 212 Ca -0.15 -1.41 0.11 0.00 0.36 0.00 0.00 54.97 53.88 1xac s GLU 212 Cb -0.16 -1.15 -0.05 0.00 0.26 0.00 0.00 34.13 33.04 1xac s GLU 212 CO 0.05 0.22 -0.17 -1.01 -0.54 0.00 0.00 175.26 173.81 1xac s HIS 213 N -2.32 2.40 0.05 5.30 3.76 -1.26 -0.64 115.29 122.58 1xac s HIS 213 Ca 0.15 -0.31 -0.20 0.00 -0.15 0.00 0.00 55.06 54.56 1xac s HIS 213 Cb -0.04 -1.11 0.04 0.00 1.11 0.00 0.00 32.58 32.58 1xac s HIS 213 CO 0.05 0.61 0.46 -0.65 -0.85 0.00 0.00 174.74 174.37 1xac s GLN 214 N -3.17 0.99 0.43 1.40 -0.21 0.09 -4.84 119.66 114.35 1xac s GLN 214 Ca 0.27 -0.33 -0.11 0.00 0.02 0.00 0.00 55.36 55.20 1xac s GLN 214 Cb -0.07 0.45 -0.06 0.00 1.00 0.00 0.00 33.01 34.32 1xac s GLN 214 CO 0.14 -0.35 0.81 0.71 -2.12 0.00 0.00 175.29 174.47 1xac s TYR 215 N -2.58 3.47 0.28 0.91 2.02 -1.26 -1.17 117.35 119.03 1xac s TYR 215 Ca -0.05 1.11 -0.02 0.00 -0.37 0.00 0.00 57.07 57.74 1xac s TYR 215 Cb -0.01 -2.50 0.41 0.00 -0.40 0.00 0.00 41.96 39.46 1xac s TYR 215 CO -0.03 -0.16 1.86 -0.24 -1.57 0.00 0.00 175.55 175.41 1xac h VAL 216 N 1.02 1.22 -0.07 0.71 3.04 -0.58 -0.80 116.25 120.79 1xac h VAL 216 Ca -0.47 -0.70 -0.12 0.00 -1.01 0.00 0.00 66.70 64.40 1xac h VAL 216 Cb 1.19 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 1xac h VAL 216 CO 0.63 0.28 -0.50 -2.24 -1.01 0.00 0.00 177.57 174.73 1xac h ASP 217 N 0.89 0.19 0.80 3.17 3.04 -1.94 -0.41 116.42 122.15 1xac h ASP 217 Ca 0.21 -0.09 -0.20 0.00 -3.24 0.00 0.00 57.03 53.71 1xac h ASP 217 Cb 0.18 -0.05 -0.02 0.00 -1.04 0.00 0.00 39.33 38.40 1xac h ASP 217 CO -0.02 0.66 -0.92 0.00 -2.04 0.00 0.00 179.24 176.93 1xac h ALA 218 N 1.34 0.49 -0.08 4.15 0.00 -1.81 -3.17 119.26 120.19 1xac h ALA 218 Ca 0.00 -0.80 -0.16 0.00 0.00 0.00 0.00 54.91 53.95 1xac h ALA 218 Cb 0.94 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1xac h ALA 218 CO 0.07 1.06 -0.66 1.98 0.00 0.00 0.00 179.25 181.70 1xac h MET 219 N 0.03 0.33 -0.04 0.00 -1.53 -0.91 -1.58 114.93 111.23 1xac h MET 219 Ca -0.03 -0.25 -0.02 0.00 -3.44 0.00 0.00 59.70 55.97 1xac h MET 219 Cb 1.59 0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 32.68 1xac h MET 219 CO 0.13 0.88 -0.05 0.00 0.14 0.00 0.00 176.91 178.00 1xac h ALA 220 N 1.06 1.84 0.02 0.39 0.00 -1.05 -1.35 119.26 120.17 1xac h ALA 220 Ca -0.02 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.56 1xac h ALA 220 Cb 1.20 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1xac h ALA 220 CO 0.11 0.12 -1.43 0.52 0.00 0.00 0.00 179.25 178.58 1xac h MET 221 N 0.06 0.04 0.00 0.00 2.86 -1.46 -3.30 114.93 113.13 1xac h MET 221 Ca 0.01 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1xac h MET 221 Cb 0.13 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1xac h MET 221 CO 0.01 0.78 -0.44 0.45 1.06 0.00 0.00 176.91 178.77 1xac h HIS 222 N 0.01 0.00 0.00 -0.22 3.86 -0.62 -1.72 115.15 116.47 1xac h HIS 222 Ca -0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1xac h HIS 222 Cb 1.92 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.39 1xac h HIS 222 CO 0.01 0.44 0.00 1.28 0.86 0.00 0.00 177.93 180.52 1xac n LEU 223 N -3.73 0.20 -0.07 2.43 4.77 -0.57 -1.20 117.00 118.83 1xac n LEU 223 Ca -0.01 0.56 -0.08 0.00 -0.03 0.00 0.00 56.01 56.45 1xac n LEU 223 Cb 0.51 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 1xac n LEU 223 CO 0.39 -0.40 -0.95 0.52 -1.33 0.00 0.00 177.39 175.62 1xac n VAL 224 N -1.73 0.87 0.05 4.08 0.31 -1.08 -4.35 118.33 116.47 1xac n VAL 224 Ca 0.02 -0.45 -0.21 0.00 -0.01 0.00 0.00 64.34 63.69 1xac n VAL 224 Cb 0.15 -0.82 -0.14 0.00 -0.91 0.00 0.00 33.84 32.12 1xac n VAL 224 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1xac h ARG 225 N 0.00 0.31 -2.02 5.55 3.08 -1.32 -3.42 114.38 116.56 1xac h ARG 225 Ca -0.34 -0.53 -0.50 0.00 0.07 0.00 0.00 59.98 58.67 1xac h ARG 225 Cb 1.67 0.20 -0.40 0.00 0.08 0.00 0.00 29.97 31.52 1xac h ARG 225 CO -0.01 1.25 -1.14 -1.13 -1.07 0.00 0.00 179.97 177.87 1xac n SER 226 N -3.95 0.97 0.23 7.04 3.41 -0.34 -4.94 113.62 116.02 1xac n SER 226 Ca -0.20 -3.00 0.07 0.00 -0.26 0.00 0.00 58.87 55.49 1xac n SER 226 Cb 0.91 -0.62 0.54 0.00 -0.26 0.00 0.00 64.21 64.77 1xac n SER 226 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1xac h PRO 227 N 3.21 0.00 0.00 4.33 0.13 -1.66 -2.73 132.00 135.28 1xac h PRO 227 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1xac h PRO 227 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1xac h PRO 227 CO 0.52 0.21 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 1xac n ALA 228 N -2.42 1.35 -0.54 -0.56 0.00 -1.26 -2.60 120.51 114.49 1xac n ALA 228 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.51 1xac n ALA 228 Cb 0.29 -0.90 0.30 0.00 0.00 0.00 0.00 19.45 19.14 1xac n ALA 228 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1xac n ARG 229 N -0.78 3.31 -4.25 0.00 0.63 -1.03 -4.88 116.66 109.66 1xac n ARG 229 Ca 0.00 -2.68 -0.22 0.00 -0.92 0.00 0.00 57.85 54.03 1xac n ARG 229 Cb 0.00 -1.71 -0.12 0.00 0.45 0.00 0.00 32.46 31.08 1xac n ARG 229 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1xac s PHE 230 N -1.65 1.59 0.00 -0.14 0.08 -1.07 -5.04 117.98 111.75 1xac s PHE 230 Ca 0.44 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.05 1xac s PHE 230 Cb 0.28 -0.88 0.00 0.00 -0.57 0.00 0.00 43.02 41.85 1xac s PHE 230 CO 0.22 0.16 0.00 -3.47 -0.10 0.00 0.00 175.22 172.03 1xac n ASP 231 N 1.11 0.00 -4.65 1.36 2.03 -1.26 -4.18 116.55 110.97 1xac n ASP 231 Ca -0.20 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.77 1xac n ASP 231 Cb 0.54 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.84 1xac n ASP 231 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1xac s VAL 232 N 0.00 4.19 -0.07 5.18 1.01 -0.95 0.46 120.40 130.22 1xac s VAL 232 Ca 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1xac s VAL 232 Cb 0.00 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 1xac s VAL 232 CO 0.00 0.59 -0.23 -0.69 0.00 0.00 0.00 175.10 174.77 1xac s VAL 233 N -0.75 1.92 -0.07 2.92 1.01 0.21 -1.57 120.40 124.07 1xac s VAL 233 Ca 0.12 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1xac s VAL 233 Cb -0.11 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.63 1xac s VAL 233 CO 0.02 0.53 -0.16 0.54 0.00 0.00 0.00 175.10 176.04 1xac s VAL 234 N 0.11 1.39 0.18 2.92 0.11 -0.54 -0.78 120.40 123.80 1xac s VAL 234 Ca -0.10 -0.65 -0.12 0.00 -2.93 0.00 0.00 61.98 58.18 1xac s VAL 234 Cb -0.15 -1.23 0.00 0.00 -1.53 0.00 0.00 36.38 33.47 1xac s VAL 234 CO 0.06 0.41 0.39 0.28 -3.33 0.00 0.00 175.10 172.90 1xac s THR 235 N 0.43 0.05 0.12 5.04 -1.32 -1.04 -1.95 115.64 116.96 1xac s THR 235 Ca -0.13 -1.18 -0.02 0.00 -1.21 0.00 0.00 61.69 59.16 1xac s THR 235 Cb -0.15 -1.78 0.03 0.00 -1.51 0.00 0.00 72.50 69.09 1xac s THR 235 CO 0.04 -0.21 0.10 0.61 -2.21 0.00 0.00 174.62 172.96 1xac n GLY 236 N -0.27 -2.61 0.16 6.08 0.00 -1.26 -1.20 105.19 106.09 1xac n GLY 236 Ca -0.08 -1.43 -0.05 0.00 0.00 0.00 0.00 46.02 44.46 1xac n GLY 236 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1xac h ASN 237 N -1.27 -0.28 -0.33 1.61 -0.73 -1.84 0.63 115.58 113.37 1xac h ASN 237 Ca -0.04 0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.07 1xac h ASN 237 Cb 0.12 0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 1xac h ASN 237 CO 0.02 0.11 -0.01 -0.29 -0.37 0.00 0.00 177.43 176.89 1xac h ILE 238 N -0.94 1.23 0.00 2.57 2.10 -1.90 0.11 117.51 120.68 1xac h ILE 238 Ca -0.03 -0.95 -0.08 0.00 1.08 0.00 0.00 64.86 64.87 1xac h ILE 238 Cb 0.25 0.92 -0.01 0.00 -1.09 0.00 0.00 36.82 36.89 1xac h ILE 238 CO 0.05 0.33 -0.40 -0.26 -1.08 0.00 0.00 178.15 176.80 1xac h PHE 239 N 0.66 0.00 0.01 2.19 0.04 -1.95 -0.92 116.94 116.97 1xac h PHE 239 Ca 0.13 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.71 1xac h PHE 239 Cb 0.42 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 1xac h PHE 239 CO 0.02 0.40 -0.89 0.78 -0.60 0.00 0.00 178.31 178.02 1xac h GLY 240 N 2.18 0.05 0.79 -1.45 0.00 0.62 -1.79 103.07 103.46 1xac h GLY 240 Ca -0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 1xac h GLY 240 CO 0.05 0.09 -0.33 -1.80 0.00 0.00 0.00 176.54 174.55 1xac h ASP 241 N 0.02 0.50 0.24 0.19 1.82 -0.51 0.40 116.42 119.08 1xac h ASP 241 Ca -0.02 -0.59 -0.01 0.00 -0.39 0.00 0.00 57.03 56.02 1xac h ASP 241 Cb 1.55 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.42 1xac h ASP 241 CO 0.12 1.01 -0.11 0.40 -1.61 0.00 0.00 179.24 179.04 1xac h ILE 242 N 0.02 0.82 0.00 2.25 2.04 -1.23 -2.69 117.51 118.72 1xac h ILE 242 Ca -0.01 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1xac h ILE 242 Cb 0.95 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1xac h ILE 242 CO 0.07 0.13 -0.04 -0.07 0.00 0.00 0.00 178.15 178.24 1xac h LEU 243 N -0.65 0.00 -0.01 1.44 3.38 -1.32 -0.83 115.31 117.32 1xac h LEU 243 Ca -0.03 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 1xac h LEU 243 Cb 0.46 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.23 1xac h LEU 243 CO 0.05 0.04 -0.78 0.28 0.09 0.00 0.00 178.44 178.12 1xac h SER 244 N 0.00 0.71 0.13 -0.43 0.02 -0.96 -1.10 113.55 111.92 1xac h SER 244 Ca -0.00 -0.74 -0.01 0.00 -0.84 0.00 0.00 61.79 60.20 1xac h SER 244 Cb 0.07 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1xac h SER 244 CO 0.01 1.35 -0.07 0.44 -1.14 0.00 0.00 176.83 177.42 1xac h ASP 245 N 0.13 -0.16 -0.21 3.07 3.32 -1.03 -0.87 116.42 120.67 1xac h ASP 245 Ca -0.09 0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.02 1xac h ASP 245 Cb 1.46 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.99 1xac h ASP 245 CO 0.15 -0.11 -0.22 0.25 -1.72 0.00 0.00 179.24 177.59 1xac h LEU 246 N -0.18 -0.71 -2.01 1.55 6.46 -1.23 -0.57 115.31 118.61 1xac h LEU 246 Ca -0.02 0.13 0.16 0.00 -0.12 0.00 0.00 57.88 58.03 1xac h LEU 246 Cb 0.14 0.34 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 1xac h LEU 246 CO 0.03 -0.27 0.42 0.00 -0.62 0.00 0.00 178.44 178.01 1xac h ALA 247 N 0.80 2.44 0.00 1.25 0.00 -0.94 -2.00 119.26 120.81 1xac h ALA 247 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xac h ALA 247 Cb 0.44 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xac h ALA 247 CO -0.35 -0.71 0.00 -1.13 0.00 0.00 0.00 179.25 177.06 1xac n SER 248 N -4.20 0.00 0.01 0.00 3.41 -0.22 -2.16 113.62 110.46 1xac n SER 248 Ca 0.10 0.11 0.11 0.00 -0.26 0.00 0.00 58.87 58.93 1xac n SER 248 Cb 0.65 -0.28 0.10 0.00 -0.26 0.00 0.00 64.21 64.42 1xac n SER 248 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1xac n VAL 249 N -1.28 0.05 -0.08 -3.33 0.24 -0.75 -4.29 118.33 108.89 1xac n VAL 249 Ca 0.06 -0.07 -0.02 0.00 -2.04 0.00 0.00 64.34 62.27 1xac n VAL 249 Cb 0.10 0.40 0.23 0.00 -1.47 0.00 0.00 33.84 33.10 1xac n VAL 249 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1xac h LEU 250 N 0.00 0.67 -0.72 1.34 4.07 -1.62 -2.01 115.31 117.04 1xac h LEU 250 Ca 0.00 -0.12 -0.14 0.00 0.08 0.00 0.00 57.88 57.70 1xac h LEU 250 Cb 0.57 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 1xac h LEU 250 CO 0.00 0.69 -0.61 -0.65 -1.08 0.00 0.00 178.44 176.79 1xac h PRO 251 N 0.68 0.11 0.00 1.13 0.11 -1.79 -3.42 132.00 128.83 1xac h PRO 251 Ca 0.15 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1xac h PRO 251 Cb 0.32 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1xac h PRO 251 CO 0.00 0.69 0.00 0.41 -0.21 0.00 0.00 178.00 178.89 1xac n GLY 252 N 0.25 1.88 3.56 -0.55 0.00 -0.76 -3.80 105.19 105.77 1xac n GLY 252 Ca -0.02 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1xac n GLY 252 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xac s SER 253 N -4.00 5.36 1.20 1.61 1.04 -1.24 -4.86 113.70 112.80 1xac s SER 253 Ca 0.00 -0.41 -0.19 0.00 0.48 0.00 0.00 55.95 55.83 1xac s SER 253 Cb 0.00 -2.55 0.28 0.00 0.10 0.00 0.00 66.02 63.85 1xac s SER 253 CO 0.00 -2.47 1.10 -1.48 0.98 0.00 0.00 173.24 171.37 1xac s LEU 254 N 9.07 0.70 0.00 2.42 0.05 -1.26 -4.34 118.68 125.32 1xac s LEU 254 Ca 0.65 0.68 0.00 0.00 0.05 0.00 0.00 54.13 55.51 1xac s LEU 254 Cb -0.08 -2.43 0.00 0.00 -2.05 0.00 0.00 46.19 41.63 1xac s LEU 254 CO 0.06 -4.10 0.00 0.61 -0.55 0.00 0.00 176.35 172.37 1xac n GLY 255 N -0.88 1.29 0.41 -3.48 0.00 -1.26 -4.86 105.19 96.40 1xac n GLY 255 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 1xac n GLY 255 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xac n LEU 256 N 0.00 1.20 -4.55 0.99 4.77 -1.26 -4.34 117.00 113.81 1xac n LEU 256 Ca 0.00 -0.58 -0.34 0.00 -0.03 0.00 0.00 56.01 55.06 1xac n LEU 256 Cb 0.00 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 40.83 1xac n LEU 256 CO 0.00 0.29 -0.40 -0.76 -1.33 0.00 0.00 177.39 175.19 1xac s LEU 257 N -1.10 3.05 0.50 2.23 1.43 -1.26 -4.12 118.68 119.41 1xac s LEU 257 Ca 0.18 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1xac s LEU 257 Cb 0.09 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.68 1xac s LEU 257 CO 0.13 0.35 0.70 -2.16 0.23 0.00 0.00 176.35 175.60 1xac s PRO 258 N -0.77 2.72 0.01 1.29 0.04 -1.26 -0.89 135.00 136.14 1xac s PRO 258 Ca 0.12 -0.83 -0.17 0.00 0.04 0.00 0.00 61.00 60.15 1xac s PRO 258 Cb -0.11 -2.57 0.03 0.00 0.04 0.00 0.00 34.50 31.89 1xac s PRO 258 CO 0.01 -0.51 0.38 0.45 0.04 0.00 0.00 177.00 177.38 1xac s SER 259 N -4.36 -0.26 -0.18 6.66 0.15 -0.38 -4.37 113.70 110.97 1xac s SER 259 Ca 0.55 0.06 -0.07 0.00 0.70 0.00 0.00 55.95 57.19 1xac s SER 259 Cb -0.10 0.38 0.08 0.00 -1.71 0.00 0.00 66.02 64.67 1xac s SER 259 CO 0.37 -0.57 0.39 0.00 1.20 0.00 0.00 173.24 174.62 1xac s ALA 260 N -1.96 -1.03 0.04 5.45 0.00 -1.10 -1.76 121.76 121.40 1xac s ALA 260 Ca -0.09 1.41 -0.18 0.00 0.00 0.00 0.00 51.96 53.10 1xac s ALA 260 Cb -0.02 -1.19 -0.06 0.00 0.00 0.00 0.00 23.12 21.84 1xac s ALA 260 CO 0.01 -0.64 0.53 -1.12 0.00 0.00 0.00 175.76 174.53 1xac s SER 261 N 2.34 6.97 0.09 0.00 0.01 -0.82 -0.67 113.70 121.62 1xac s SER 261 Ca -0.03 1.15 0.02 0.00 1.31 0.00 0.00 55.95 58.40 1xac s SER 261 Cb -0.11 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 1xac s SER 261 CO -0.12 0.26 -0.07 -0.76 0.41 0.00 0.00 173.24 172.96 1xac s LEU 262 N -0.92 2.47 0.00 2.44 1.02 -0.84 -2.22 118.68 120.63 1xac s LEU 262 Ca 0.28 -0.93 0.00 0.00 0.02 0.00 0.00 54.13 53.50 1xac s LEU 262 Cb -0.18 -0.09 0.00 0.00 0.02 0.00 0.00 46.19 45.94 1xac s LEU 262 CO 0.17 -0.42 0.00 0.61 0.02 0.00 0.00 176.35 176.73 1xac n GLY 263 N 0.21 -0.68 0.18 -3.19 0.00 -1.26 -0.30 105.19 100.15 1xac n GLY 263 Ca -0.14 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.23 1xac n GLY 263 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xac h ARG 264 N 0.00 0.58 0.00 1.61 3.08 -1.41 -3.46 114.38 114.77 1xac h ARG 264 Ca 0.00 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 59.42 1xac h ARG 264 Cb 0.00 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1xac h ARG 264 CO 0.00 1.24 0.00 0.41 -1.07 0.00 0.00 179.97 180.55 1xac n GLY 265 N 1.05 1.40 3.68 0.04 0.00 0.51 -5.01 105.19 106.86 1xac n GLY 265 Ca -0.09 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1xac n GLY 265 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xac s THR 266 N 1.58 4.31 0.34 2.61 2.01 -1.26 -4.99 115.64 120.24 1xac s THR 266 Ca 0.00 1.62 -0.29 0.00 0.31 0.00 0.00 61.69 63.33 1xac s THR 266 Cb 0.00 -4.04 -0.11 0.00 0.01 0.00 0.00 72.50 68.35 1xac s THR 266 CO 0.00 -0.04 1.49 -0.81 -0.69 0.00 0.00 174.62 174.57 1xac n PRO 267 N 5.54 2.59 -4.44 4.92 -0.04 -1.26 -4.84 135.00 137.46 1xac n PRO 267 Ca 0.11 0.91 -0.34 0.00 -0.04 0.00 0.00 63.50 64.14 1xac n PRO 267 Cb 0.46 -2.64 -0.11 0.00 -0.04 0.00 0.00 33.50 31.17 1xac n PRO 267 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xac s VAL 268 N -0.73 3.99 -0.09 0.52 1.01 -0.94 -1.81 120.40 122.34 1xac s VAL 268 Ca 0.57 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1xac s VAL 268 Cb -0.50 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.20 1xac s VAL 268 CO 0.58 0.55 -0.08 -0.36 0.00 0.00 0.00 175.10 175.80 1xac s PHE 269 N -0.31 1.38 0.23 5.22 0.40 -1.02 -1.95 117.98 121.94 1xac s PHE 269 Ca 0.05 -0.62 0.03 0.00 -0.60 0.00 0.00 56.93 55.79 1xac s PHE 269 Cb -0.12 -1.13 -0.05 0.00 0.51 0.00 0.00 43.02 42.23 1xac s PHE 269 CO 0.02 -0.42 0.02 -1.83 0.70 0.00 0.00 175.22 173.71 1xac s GLU 270 N 1.42 1.34 0.56 0.44 -1.05 -0.72 -1.09 118.70 119.60 1xac s GLU 270 Ca -0.01 -1.69 -0.17 0.00 -0.15 0.00 0.00 54.97 52.95 1xac s GLU 270 Cb -0.13 -0.51 -0.05 0.00 -0.44 0.00 0.00 34.13 32.99 1xac s GLU 270 CO -0.05 -0.15 1.06 -1.25 0.95 0.00 0.00 175.26 175.83 1xac s PRO 271 N -3.91 3.46 -0.67 -4.83 0.04 -1.26 -1.25 135.00 126.58 1xac s PRO 271 Ca 0.30 1.30 -0.22 0.00 0.04 0.00 0.00 61.00 62.42 1xac s PRO 271 Cb 0.06 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.64 1xac s PRO 271 CO 0.09 -0.71 0.94 0.08 0.04 0.00 0.00 177.00 177.45 1xac s VAL 272 N -2.23 4.42 0.00 -0.36 1.01 -0.07 -4.79 120.40 118.37 1xac s VAL 272 Ca 0.66 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1xac s VAL 272 Cb -0.17 -4.67 0.00 0.00 0.00 0.00 0.00 36.38 31.54 1xac s VAL 272 CO 0.31 -1.42 0.00 0.00 0.00 0.00 0.00 175.10 173.98 1xac n HIS 273 N 7.45 0.00 -1.88 5.22 1.44 -1.26 -4.57 115.22 121.61 1xac n HIS 273 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 1xac n HIS 273 Cb 0.45 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.56 1xac n HIS 273 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1xac n GLY 274 N -0.35 0.64 0.36 -1.39 0.00 -1.26 -4.89 105.19 98.30 1xac n GLY 274 Ca 0.00 -1.91 -0.01 0.00 0.00 0.00 0.00 46.02 44.10 1xac n GLY 274 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xac h SER 275 N 0.00 0.99 -6.32 1.61 0.02 -1.83 -3.45 113.55 104.57 1xac h SER 275 Ca 0.00 -0.03 -0.46 0.00 -0.84 0.00 0.00 61.79 60.46 1xac h SER 275 Cb 0.00 -0.25 0.02 0.00 0.14 0.00 0.00 62.40 62.31 1xac h SER 275 CO 0.00 0.71 -0.89 0.00 -1.14 0.00 0.00 176.83 175.51 1xac n ALA 276 N -2.40 -2.19 -0.31 3.77 0.00 -1.26 0.44 120.51 118.55 1xac n ALA 276 Ca 0.10 -0.24 0.10 0.00 0.00 0.00 0.00 53.44 53.40 1xac n ALA 276 Cb 0.02 -2.46 0.27 0.00 0.00 0.00 0.00 19.45 17.28 1xac n ALA 276 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xac h PRO 277 N -1.86 0.56 -1.46 0.00 0.11 -1.91 -2.22 132.00 125.23 1xac h PRO 277 Ca -0.64 -0.03 0.48 0.00 0.11 0.00 0.00 66.00 65.92 1xac h PRO 277 Cb 1.37 -0.13 -0.12 0.00 0.11 0.00 0.00 31.00 32.23 1xac h PRO 277 CO 0.56 0.37 0.98 -0.40 -0.21 0.00 0.00 178.00 179.30 1xac n ASP 278 N -4.90 0.15 0.00 -2.05 5.75 -1.26 -0.98 116.55 113.26 1xac n ASP 278 Ca 0.20 1.22 0.00 0.00 -0.01 0.00 0.00 54.79 56.20 1xac n ASP 278 Cb 0.53 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1xac n ASP 278 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1xac n ILE 279 N -4.40 0.78 -1.71 2.12 -5.35 -0.84 -5.03 119.36 104.94 1xac n ILE 279 Ca 0.39 -0.87 -0.43 0.00 -0.27 0.00 0.00 62.75 61.58 1xac n ILE 279 Cb 1.60 0.62 -0.03 0.00 -1.74 0.00 0.00 39.64 40.09 1xac n ILE 279 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xac s ALA 280 N -0.78 3.17 0.00 -1.28 0.00 -0.15 -2.59 121.76 120.13 1xac s ALA 280 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1xac s ALA 280 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.17 1xac s ALA 280 CO 0.00 -2.16 0.00 0.41 0.00 0.00 0.00 175.76 174.01 1xac n GLY 281 N 5.08 0.78 0.00 0.00 0.00 -1.26 -4.95 105.19 104.85 1xac n GLY 281 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.34 1xac n GLY 281 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xac n LYS 282 N -0.92 1.41 -0.19 1.61 5.02 -1.07 -4.99 118.16 119.03 1xac n LYS 282 Ca 0.00 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1xac n LYS 282 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1xac n LYS 282 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xac n GLY 283 N 1.43 0.64 0.00 0.72 0.00 -1.26 -4.91 105.19 101.80 1xac n GLY 283 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1xac n GLY 283 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xac n ILE 284 N -2.00 0.00 -1.62 -0.61 -5.35 -1.26 -0.17 119.36 108.34 1xac n ILE 284 Ca 0.00 -0.14 -0.43 0.00 -0.27 0.00 0.00 62.75 61.91 1xac n ILE 284 Cb 0.00 0.92 -0.01 0.00 -1.74 0.00 0.00 39.64 38.82 1xac n ILE 284 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xac n ALA 285 N -1.45 0.30 -2.65 -1.28 0.00 -1.26 -4.49 120.51 109.68 1xac n ALA 285 Ca 0.03 0.34 -0.41 0.00 0.00 0.00 0.00 53.44 53.39 1xac n ALA 285 Cb 0.27 -2.10 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 1xac n ALA 285 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1xac s ASN 286 N -0.54 6.72 0.00 0.00 3.84 -1.26 -3.75 114.94 119.95 1xac s ASN 286 Ca 0.59 0.89 0.28 0.00 0.21 0.00 0.00 52.86 54.82 1xac s ASN 286 Cb -0.62 -2.38 0.99 0.00 -0.55 0.00 0.00 41.25 38.69 1xac s ASN 286 CO 0.60 -0.38 1.71 -0.81 -2.79 0.00 0.00 177.10 175.43 1xac n PRO 287 N 5.52 0.80 -0.33 0.43 -0.04 -1.26 -4.44 135.00 135.69 1xac n PRO 287 Ca 0.01 -0.39 0.14 0.00 -0.04 0.00 0.00 63.50 63.23 1xac n PRO 287 Cb 0.49 -1.49 0.34 0.00 -0.04 0.00 0.00 33.50 32.79 1xac n PRO 287 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1xac h THR 288 N 0.95 0.57 -0.00 0.52 2.02 -1.91 0.19 112.91 115.24 1xac h THR 288 Ca 0.00 -0.19 -0.17 0.00 0.77 0.00 0.00 66.41 66.82 1xac h THR 288 Cb 0.44 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 1xac h THR 288 CO 0.00 0.10 -0.79 0.00 0.37 0.00 0.00 175.52 175.20 1xac h ALA 289 N 1.69 0.69 0.45 6.16 0.00 -1.76 -1.59 119.26 124.91 1xac h ALA 289 Ca 0.59 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1xac h ALA 289 Cb 1.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1xac h ALA 289 CO -0.46 0.99 -0.21 0.00 0.00 0.00 0.00 179.25 179.56 1xac h ALA 290 N 1.21 -0.60 -0.95 0.00 0.00 -1.34 -0.16 119.26 117.42 1xac h ALA 290 Ca -0.01 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.86 1xac h ALA 290 Cb 1.40 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 19.34 1xac h ALA 290 CO 0.10 -0.67 0.60 0.82 0.00 0.00 0.00 179.25 180.11 1xac h ILE 291 N -0.93 0.83 0.00 0.00 2.04 -1.17 0.98 117.51 119.26 1xac h ILE 291 Ca -0.06 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1xac h ILE 291 Cb 0.57 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1xac h ILE 291 CO 0.10 0.15 0.00 -0.07 0.00 0.00 0.00 178.15 178.33 1xac h LEU 292 N 0.80 0.00 -0.18 1.44 3.38 -1.14 -2.50 115.31 117.11 1xac h LEU 292 Ca 0.49 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.25 1xac h LEU 292 Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1xac h LEU 292 CO -0.25 0.00 -0.94 0.77 0.09 0.00 0.00 178.44 178.10 1xac h SER 293 N 0.00 0.16 -0.17 -0.43 4.64 0.11 -2.85 113.55 115.01 1xac h SER 293 Ca 0.00 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1xac h SER 293 Cb 0.68 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1xac h SER 293 CO 0.00 1.01 0.06 0.00 -0.87 0.00 0.00 176.83 177.04 1xac h ALA 294 N 0.97 0.23 -0.10 5.18 0.00 -1.02 -1.87 119.26 122.64 1xac h ALA 294 Ca -0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xac h ALA 294 Cb 1.61 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1xac h ALA 294 CO 0.14 -0.17 0.05 0.00 0.00 0.00 0.00 179.25 179.27 1xac h ALA 295 N 0.90 1.90 0.00 0.00 0.00 -1.47 -1.34 119.26 119.25 1xac h ALA 295 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xac h ALA 295 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xac h ALA 295 CO -0.00 0.09 0.00 -1.33 0.00 0.00 0.00 179.25 178.00 1xac n MET 296 N -4.51 0.23 -0.06 0.00 2.81 -0.75 -1.72 117.12 113.12 1xac n MET 296 Ca -0.01 0.30 -0.17 0.00 -1.81 0.00 0.00 57.70 56.00 1xac n MET 296 Cb 0.09 -1.83 -0.13 0.00 -0.71 0.00 0.00 33.22 30.65 1xac n MET 296 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1xac h MET 297 N 0.00 0.04 0.09 0.03 -1.53 -0.82 -0.19 114.93 112.56 1xac h MET 297 Ca 0.00 -0.07 0.02 0.00 -3.44 0.00 0.00 59.70 56.21 1xac h MET 297 Cb 0.58 0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.62 1xac h MET 297 CO 0.00 1.04 -0.25 -0.07 0.14 0.00 0.00 176.91 177.76 1xac h LEU 298 N -0.90 -0.73 -0.30 3.39 3.38 -1.25 0.42 115.31 119.32 1xac h LEU 298 Ca -0.10 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1xac h LEU 298 Cb 1.17 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 1xac h LEU 298 CO -0.03 -0.34 0.01 -0.08 0.09 0.00 0.00 178.44 178.09 1xac h GLU 299 N -0.45 0.52 0.00 1.13 4.81 -1.42 0.72 114.58 119.90 1xac h GLU 299 Ca 0.04 -0.16 -0.34 0.00 -0.13 0.00 0.00 59.36 58.77 1xac h GLU 299 Cb 0.48 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 1xac h GLU 299 CO -0.16 0.66 -2.11 0.72 -0.73 0.00 0.00 179.01 177.39 1xac n HIS 300 N -4.58 0.41 -0.02 0.92 8.25 -0.08 -3.02 115.22 117.10 1xac n HIS 300 Ca -0.03 0.15 -0.11 0.00 -0.26 0.00 0.00 57.72 57.47 1xac n HIS 300 Cb 0.25 -1.07 -0.14 0.00 1.12 0.00 0.00 29.99 30.15 1xac n HIS 300 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xac n ALA 301 N -2.67 1.39 -0.03 -1.41 0.00 0.14 -4.42 120.51 113.51 1xac n ALA 301 Ca -0.26 -0.76 0.02 0.00 0.00 0.00 0.00 53.44 52.44 1xac n ALA 301 Cb 1.11 -0.80 0.04 0.00 0.00 0.00 0.00 19.45 19.80 1xac n ALA 301 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xac n PHE 302 N -3.11 0.11 -1.04 0.00 3.72 -0.69 -4.98 117.46 111.49 1xac n PHE 302 Ca -0.20 -0.45 -0.01 0.00 -0.05 0.00 0.00 57.45 56.74 1xac n PHE 302 Cb 1.05 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 39.55 1xac n PHE 302 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xac n GLY 303 N -0.19 0.32 2.78 1.37 0.00 -0.90 -4.88 105.19 103.68 1xac n GLY 303 Ca 0.03 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1xac n GLY 303 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xac n LEU 304 N -0.14 7.04 -0.33 0.99 4.32 0.20 -4.73 117.00 124.34 1xac n LEU 304 Ca -0.01 -4.96 0.11 0.00 -0.02 0.00 0.00 56.01 51.13 1xac n LEU 304 Cb 0.31 -1.35 0.32 0.00 -1.62 0.00 0.00 43.42 41.07 1xac n LEU 304 CO 0.02 1.72 1.22 0.58 -1.22 0.00 0.00 177.39 179.71 1xac h VAL 305 N 3.17 0.82 -0.27 4.08 2.07 -1.83 0.63 116.25 124.92 1xac h VAL 305 Ca 0.44 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.53 1xac h VAL 305 Cb 0.50 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1xac h VAL 305 CO 1.46 0.15 -0.43 1.05 0.02 0.00 0.00 177.57 179.81 1xac h GLU 306 N 0.82 0.67 0.06 1.57 4.11 -1.97 -2.26 114.58 117.58 1xac h GLU 306 Ca 0.51 -0.36 -0.23 0.00 0.07 0.00 0.00 59.36 59.35 1xac h GLU 306 Cb 0.71 0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.00 1xac h GLU 306 CO -0.28 0.97 -0.92 -0.07 0.07 0.00 0.00 179.01 178.79 1xac h LEU 307 N 0.54 0.70 -0.62 3.06 3.38 -1.33 -3.00 115.31 118.04 1xac h LEU 307 Ca 0.04 -0.81 0.09 0.00 0.09 0.00 0.00 57.88 57.29 1xac h LEU 307 Cb 0.97 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 1xac h LEU 307 CO 0.09 1.43 0.26 0.00 0.09 0.00 0.00 178.44 180.31 1xac h ALA 308 N 0.28 0.82 -0.01 1.53 0.00 -1.13 0.24 119.26 120.99 1xac h ALA 308 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xac h ALA 308 Cb 1.62 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 1xac h ALA 308 CO 0.18 -0.15 0.01 0.00 0.00 0.00 0.00 179.25 179.29 1xac h ARG 309 N 0.46 0.00 -0.07 0.00 2.47 -1.45 -0.22 114.38 115.57 1xac h ARG 309 Ca 0.31 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.78 1xac h ARG 309 Cb 0.36 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.69 1xac h ARG 309 CO -0.28 0.00 -0.92 0.87 0.56 0.00 0.00 179.97 180.20 1xac h LYS 310 N 0.00 0.73 -0.26 0.04 1.57 -0.44 -1.66 116.57 116.55 1xac h LYS 310 Ca 0.01 -0.69 -0.06 0.00 -1.87 0.00 0.00 60.65 58.04 1xac h LYS 310 Cb 0.02 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1xac h LYS 310 CO -0.00 1.28 -0.06 0.28 -0.57 0.00 0.00 179.45 180.38 1xac h VAL 311 N 0.45 1.28 -0.71 0.50 2.07 -0.55 -0.58 116.25 118.71 1xac h VAL 311 Ca -0.09 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.39 1xac h VAL 311 Cb 1.56 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.74 1xac h VAL 311 CO 0.18 0.34 0.47 -0.33 0.02 0.00 0.00 177.57 178.25 1xac h GLU 312 N 0.24 0.86 -0.25 1.57 5.08 -1.04 -1.02 114.58 120.03 1xac h GLU 312 Ca 0.07 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1xac h GLU 312 Cb 0.53 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1xac h GLU 312 CO 0.03 0.57 0.02 -0.44 -1.00 0.00 0.00 179.01 178.18 1xac h ASP 313 N 0.88 0.41 -0.93 1.42 5.19 -1.21 -0.09 116.42 122.09 1xac h ASP 313 Ca 0.28 -0.29 0.03 0.00 -0.62 0.00 0.00 57.03 56.44 1xac h ASP 313 Cb 0.02 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 39.37 1xac h ASP 313 CO -0.08 0.60 0.60 0.00 -3.12 0.00 0.00 179.24 177.24 1xac h ALA 314 N 0.83 1.23 0.00 3.45 0.00 -0.59 -0.42 119.26 123.76 1xac h ALA 314 Ca 0.07 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1xac h ALA 314 Cb 0.37 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xac h ALA 314 CO 0.01 0.47 -0.39 -0.39 0.00 0.00 0.00 179.25 178.96 1xac h VAL 315 N 1.17 0.94 0.71 0.00 -1.51 -1.16 -0.24 116.25 116.16 1xac h VAL 315 Ca 0.37 -1.52 -0.03 0.00 -1.23 0.00 0.00 66.70 64.28 1xac h VAL 315 Cb 0.00 1.91 0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1xac h VAL 315 CO -0.12 0.38 -0.34 0.00 -1.23 0.00 0.00 177.57 176.26 1xac h ALA 316 N 1.61 -0.95 -0.82 5.19 0.00 0.55 -1.22 119.26 123.61 1xac h ALA 316 Ca -0.00 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 54.83 1xac h ALA 316 Cb 0.88 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 1xac h ALA 316 CO 0.05 -0.95 0.40 0.87 0.00 0.00 0.00 179.25 179.62 1xac h LYS 317 N -1.12 0.55 -0.58 0.00 1.79 -1.18 -0.06 116.57 115.97 1xac h LYS 317 Ca -0.10 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 1xac h LYS 317 Cb 0.76 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 1xac h LYS 317 CO 0.16 0.36 0.27 0.00 -1.08 0.00 0.00 179.45 179.16 1xac h ALA 318 N 1.56 0.74 0.00 3.86 0.00 -1.00 0.83 119.26 125.25 1xac h ALA 318 Ca 0.45 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1xac h ALA 318 Cb 0.65 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1xac h ALA 318 CO -0.38 0.31 -0.22 -0.07 0.00 0.00 0.00 179.25 178.90 1xac h LEU 319 N 0.78 0.00 0.03 0.00 3.38 0.23 0.26 115.31 119.99 1xac h LEU 319 Ca 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1xac h LEU 319 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1xac h LEU 319 CO -0.02 0.22 -0.01 0.25 0.09 0.00 0.00 178.44 178.96 1xac h LEU 320 N 0.00 -0.03 -0.06 1.67 5.85 -1.08 -3.26 115.31 118.41 1xac h LEU 320 Ca -0.00 -0.53 -0.25 0.00 0.84 0.00 0.00 57.88 57.94 1xac h LEU 320 Cb 0.41 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1xac h LEU 320 CO 0.03 0.53 -1.06 -0.33 -0.34 0.00 0.00 178.44 177.26 1xac h GLU 321 N -0.60 0.35 -2.66 1.25 5.08 -0.17 -3.41 114.58 114.42 1xac h GLU 321 Ca -0.00 -0.45 -0.56 0.00 -1.00 0.00 0.00 59.36 57.34 1xac h GLU 321 Cb 0.56 0.15 -0.39 0.00 0.50 0.00 0.00 28.75 29.56 1xac h GLU 321 CO 0.01 1.15 -0.82 0.95 -1.00 0.00 0.00 179.01 179.29 1xac s THR 322 N -3.03 0.06 0.49 1.13 -4.23 0.86 -5.07 115.64 105.85 1xac s THR 322 Ca -0.05 -1.37 -0.22 0.00 -1.18 0.00 0.00 61.69 58.87 1xac s THR 322 Cb 0.08 -1.07 -0.06 0.00 1.34 0.00 0.00 72.50 72.79 1xac s THR 322 CO 0.87 -0.90 1.21 -2.16 -0.54 0.00 0.00 174.62 173.10 1xac s PRO 323 N 1.44 3.55 0.89 3.99 0.04 -1.23 -4.37 135.00 139.31 1xac s PRO 323 Ca 0.15 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 62.94 1xac s PRO 323 Cb -0.21 -2.32 0.13 0.00 0.04 0.00 0.00 34.50 32.14 1xac s PRO 323 CO -0.13 -0.75 1.13 -2.14 0.04 0.00 0.00 177.00 175.15 1xac s PRO 324 N -2.82 1.29 0.32 0.56 0.02 -1.26 -2.96 135.00 130.15 1xac s PRO 324 Ca 0.67 0.36 0.08 0.00 0.02 0.00 0.00 61.00 62.13 1xac s PRO 324 Cb -0.31 -1.85 0.82 0.00 0.02 0.00 0.00 34.50 33.18 1xac s PRO 324 CO 0.37 -2.11 1.77 -1.35 -0.33 0.00 0.00 177.00 175.35 1xac h PRO 325 N -1.44 0.66 0.00 5.54 0.11 -1.68 -1.03 132.00 134.17 1xac h PRO 325 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1xac h PRO 325 Cb 1.32 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xac h PRO 325 CO 0.61 0.44 0.00 -0.40 -0.21 0.00 0.00 178.00 178.44 1xac n ASP 326 N -4.77 0.00 -1.09 -2.05 5.75 -1.26 -1.62 116.55 111.51 1xac n ASP 326 Ca 0.24 -0.98 0.04 0.00 -0.01 0.00 0.00 54.79 54.08 1xac n ASP 326 Cb 0.64 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.80 1xac n ASP 326 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1xac n LEU 327 N -0.55 1.38 -2.62 -2.12 4.32 -0.41 -4.95 117.00 112.05 1xac n LEU 327 Ca 0.01 -2.42 -0.14 0.00 -0.02 0.00 0.00 56.01 53.44 1xac n LEU 327 Cb 0.01 -0.15 0.06 0.00 -1.62 0.00 0.00 43.42 41.71 1xac n LEU 327 CO 0.01 0.71 0.12 0.61 -1.22 0.00 0.00 177.39 177.62 1xac n GLY 328 N -0.06 -0.08 0.82 -0.72 0.00 -0.64 -4.87 105.19 99.64 1xac n GLY 328 Ca 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 1xac n GLY 328 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xac n GLY 329 N -1.32 3.78 0.00 -0.02 0.00 -1.10 -4.94 105.19 101.59 1xac n GLY 329 Ca -0.09 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1xac n GLY 329 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xac n SER 330 N -2.48 0.70 -4.63 1.61 3.41 -1.18 -3.43 113.62 107.62 1xac n SER 330 Ca 0.01 -1.25 -0.43 0.00 -0.26 0.00 0.00 58.87 56.94 1xac n SER 330 Cb 0.15 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 1xac n SER 330 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xac s ALA 331 N -0.25 3.25 1.27 7.33 0.00 -1.16 -4.62 121.76 127.59 1xac s ALA 331 Ca 0.00 0.38 -0.21 0.00 0.00 0.00 0.00 51.96 52.13 1xac s ALA 331 Cb 0.00 -3.85 0.31 0.00 0.00 0.00 0.00 23.12 19.57 1xac s ALA 331 CO 0.00 -1.98 1.05 0.41 0.00 0.00 0.00 175.76 175.23 1xac n GLY 332 N 4.68 -2.92 0.29 0.00 0.00 -1.26 -3.94 105.19 102.03 1xac n GLY 332 Ca 0.18 -1.47 0.04 0.00 0.00 0.00 0.00 46.02 44.77 1xac n GLY 332 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xac h THR 333 N -2.83 0.82 0.07 2.61 2.02 -0.65 0.42 112.91 115.37 1xac h THR 333 Ca -0.40 -0.22 -0.11 0.00 0.77 0.00 0.00 66.41 66.45 1xac h THR 333 Cb 1.24 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1xac h THR 333 CO 0.26 0.12 -0.50 -0.08 0.37 0.00 0.00 175.52 175.69 1xac h GLU 334 N 0.65 0.14 -0.02 6.66 4.57 -1.90 0.10 114.58 124.78 1xac h GLU 334 Ca 0.40 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1xac h GLU 334 Cb 0.46 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1xac h GLU 334 CO -0.30 1.11 0.02 0.00 -1.18 0.00 0.00 179.01 178.66 1xac h ALA 335 N 0.00 1.78 -0.02 2.92 0.00 -1.80 -0.67 119.26 121.46 1xac h ALA 335 Ca -0.10 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1xac h ALA 335 Cb 1.33 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.13 1xac h ALA 335 CO 0.05 -0.03 -0.70 0.35 0.00 0.00 0.00 179.25 178.93 1xac h PHE 336 N 0.00 0.74 -0.13 0.00 3.57 -0.80 -2.85 116.94 117.46 1xac h PHE 336 Ca 0.01 -0.39 -0.00 0.00 3.53 0.00 0.00 57.97 61.12 1xac h PHE 336 Cb 0.04 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1xac h PHE 336 CO 0.00 1.21 0.06 1.15 -2.23 0.00 0.00 178.31 178.50 1xac h THR 337 N 0.07 1.05 0.60 4.41 2.02 0.23 -2.22 112.91 119.08 1xac h THR 337 Ca -0.08 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1xac h THR 337 Cb 1.38 0.88 0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1xac h THR 337 CO 0.14 0.06 -0.29 0.00 0.37 0.00 0.00 175.52 175.80 1xac h ALA 338 N 1.89 -0.81 0.00 6.16 0.00 -1.07 0.06 119.26 125.49 1xac h ALA 338 Ca 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1xac h ALA 338 Cb 0.02 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xac h ALA 338 CO -0.01 -0.92 -0.13 0.00 0.00 0.00 0.00 179.25 178.20 1xac h THR 339 N -0.88 0.92 0.06 0.00 1.03 -1.26 0.30 112.91 113.07 1xac h THR 339 Ca -0.08 -0.46 -0.00 0.00 -0.01 0.00 0.00 66.41 65.86 1xac h THR 339 Cb 0.65 1.26 0.00 0.00 -1.07 0.00 0.00 68.15 68.99 1xac h THR 339 CO 0.14 0.12 -0.03 0.58 -0.01 0.00 0.00 175.52 176.32 1xac h VAL 340 N 0.00 1.08 -0.89 0.00 2.07 -0.72 -2.71 116.25 115.08 1xac h VAL 340 Ca -0.00 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1xac h VAL 340 Cb 0.25 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1xac h VAL 340 CO 0.02 0.11 0.55 -0.07 0.02 0.00 0.00 177.57 178.20 1xac h LEU 341 N -0.28 1.05 0.00 2.57 3.38 0.04 -0.56 115.31 121.52 1xac h LEU 341 Ca -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xac h LEU 341 Cb 0.25 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1xac h LEU 341 CO 0.01 0.80 0.00 -1.14 0.09 0.00 0.00 178.44 178.20 1xac n ARG 342 N -4.42 0.00 0.00 1.13 0.63 0.94 -0.74 116.66 114.20 1xac n ARG 342 Ca 0.10 0.42 0.06 0.00 -0.92 0.00 0.00 57.85 57.50 1xac n ARG 342 Cb 0.05 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 31.49 1xac n ARG 342 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1xac n HIS 343 N -1.49 0.00 1.11 -0.14 8.25 -0.23 -4.43 115.22 118.28 1xac n HIS 343 Ca 0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.59 1xac n HIS 343 Cb 0.05 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.45 1xac n HIS 343 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1xac n LEU 344 N 0.39 0.81 -0.66 2.41 7.94 0.08 -4.85 117.00 123.11 1xac n LEU 344 Ca 0.06 -0.16 0.08 0.00 -1.11 0.00 0.00 56.01 54.88 1xac n LEU 344 Cb 0.27 -0.17 0.07 0.00 0.53 0.00 0.00 43.42 44.12 1xac n LEU 344 CO 0.09 0.17 0.51 0.00 -1.11 0.00 0.00 177.39 177.05