#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xab s LYS 2 N 0.00 3.61 -0.09 2.12 2.20 -1.26 -0.56 119.74 125.76 1xab s LYS 2 Ca 0.00 -0.03 0.04 0.00 -0.36 0.00 0.00 55.97 55.62 1xab s LYS 2 Cb 0.00 -3.83 -0.01 0.00 -1.51 0.00 0.00 37.83 32.48 1xab s LYS 2 CO 0.00 -0.78 -0.21 0.08 -0.36 0.00 0.00 175.35 174.08 1xab s VAL 3 N 2.72 2.36 -0.21 4.02 1.01 0.36 -0.54 120.40 130.13 1xab s VAL 3 Ca 0.24 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 1xab s VAL 3 Cb -0.14 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1xab s VAL 3 CO 0.16 0.56 0.42 0.00 0.00 0.00 0.00 175.10 176.23 1xab s ALA 4 N 0.14 3.56 -0.28 5.51 0.00 -0.31 -2.96 121.76 127.41 1xab s ALA 4 Ca -0.11 -0.53 -0.07 0.00 0.00 0.00 0.00 51.96 51.26 1xab s ALA 4 Cb -0.16 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1xab s ALA 4 CO 0.06 -0.34 0.07 0.08 0.00 0.00 0.00 175.76 175.63 1xab s VAL 5 N 1.41 3.96 -0.85 0.00 1.01 -0.11 -1.20 120.40 124.62 1xab s VAL 5 Ca 0.20 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1xab s VAL 5 Cb -0.15 -2.99 0.23 0.00 0.00 0.00 0.00 36.38 33.47 1xab s VAL 5 CO 0.08 0.15 0.82 0.18 0.00 0.00 0.00 175.10 176.33 1xab n LEU 6 N 4.87 4.22 0.06 3.92 4.32 0.18 -0.70 117.00 133.87 1xab n LEU 6 Ca -0.15 -5.21 0.06 0.00 -0.02 0.00 0.00 56.01 50.69 1xab n LEU 6 Cb 0.49 -0.99 0.50 0.00 -1.62 0.00 0.00 43.42 41.79 1xab n LEU 6 CO 0.31 1.70 1.14 1.55 -1.22 0.00 0.00 177.39 180.87 1xab h PRO 7 N 5.50 0.37 0.00 3.23 0.13 -1.80 0.27 132.00 139.69 1xab h PRO 7 Ca 0.17 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1xab h PRO 7 Cb 0.75 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1xab h PRO 7 CO 0.89 0.24 0.00 0.41 -0.23 0.00 0.00 178.00 179.31 1xab n GLY 8 N -1.50 0.77 3.85 1.56 0.00 -1.26 -2.64 105.19 105.97 1xab n GLY 8 Ca 0.02 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 1xab n GLY 8 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xab s ASP 9 N -4.00 5.66 1.76 1.61 1.01 0.13 -4.42 116.67 118.42 1xab s ASP 9 Ca 0.00 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.06 1xab s ASP 9 Cb 0.00 -1.47 0.00 0.00 1.01 0.00 0.00 42.92 42.46 1xab s ASP 9 CO 0.00 -0.06 0.00 0.61 0.21 0.00 0.00 175.17 175.93 1xab n GLY 10 N -1.23 1.24 0.07 0.21 0.00 -1.26 0.22 105.19 104.44 1xab n GLY 10 Ca -0.08 0.36 0.13 0.00 0.00 0.00 0.00 46.02 46.43 1xab n GLY 10 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xab n ILE 11 N 0.00 0.00 -0.33 -0.61 -5.35 0.23 -4.46 119.36 108.85 1xab n ILE 11 Ca 0.00 -0.03 -0.10 0.00 -0.27 0.00 0.00 62.75 62.34 1xab n ILE 11 Cb 0.00 0.05 -0.09 0.00 -1.74 0.00 0.00 39.64 37.86 1xab n ILE 11 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1xab h GLY 12 N 4.98 -1.07 -0.20 3.28 0.00 -0.42 0.56 103.07 110.20 1xab h GLY 12 Ca 0.00 0.83 0.15 0.00 0.00 0.00 0.00 47.33 48.31 1xab h GLY 12 CO 0.00 -0.09 0.03 -2.55 0.00 0.00 0.00 176.54 173.92 1xab h PRO 13 N -0.06 0.13 -0.17 4.80 0.11 -1.77 -1.08 132.00 133.96 1xab h PRO 13 Ca 0.13 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1xab h PRO 13 Cb 0.39 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1xab h PRO 13 CO -0.78 0.08 0.03 0.93 -0.21 0.00 0.00 178.00 178.05 1xab h GLU 14 N 0.13 0.28 0.00 1.05 5.08 -1.55 -1.93 114.58 117.64 1xab h GLU 14 Ca 0.38 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.48 1xab h GLU 14 Cb 0.64 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1xab h GLU 14 CO -0.59 0.44 -0.89 -0.39 -1.00 0.00 0.00 179.01 176.59 1xab h VAL 15 N 0.07 1.57 -0.32 3.13 -1.51 -0.79 -2.67 116.25 115.73 1xab h VAL 15 Ca 0.05 -3.11 -0.05 0.00 -1.23 0.00 0.00 66.70 62.37 1xab h VAL 15 Cb 0.30 2.71 -0.01 0.00 -2.13 0.00 0.00 31.29 32.15 1xab h VAL 15 CO 0.00 0.87 0.00 0.74 -1.23 0.00 0.00 177.57 177.95 1xab h THR 16 N 0.00 1.26 -0.20 7.19 2.02 -1.21 -1.97 112.91 120.00 1xab h THR 16 Ca -0.01 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.21 1xab h THR 16 Cb 1.64 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 1xab h THR 16 CO 0.12 0.31 0.05 -0.08 0.37 0.00 0.00 175.52 176.29 1xab h GLU 17 N 0.37 0.28 -0.53 6.66 4.57 -1.30 -1.30 114.58 123.33 1xab h GLU 17 Ca 0.09 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 1xab h GLU 17 Cb 0.44 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1xab h GLU 17 CO 0.02 0.26 -0.08 0.00 -1.18 0.00 0.00 179.01 178.03 1xab h ALA 18 N 1.78 0.86 -0.56 2.92 0.00 -1.02 -0.68 119.26 122.56 1xab h ALA 18 Ca 0.07 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1xab h ALA 18 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1xab h ALA 18 CO -0.00 0.65 0.08 0.00 0.00 0.00 0.00 179.25 179.98 1xab h ALA 19 N 1.03 0.75 0.00 0.00 0.00 -0.83 -2.18 119.26 118.03 1xab h ALA 19 Ca 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1xab h ALA 19 Cb 0.62 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xab h ALA 19 CO 0.04 0.50 -0.06 -0.07 0.00 0.00 0.00 179.25 179.66 1xab h LEU 20 N 0.83 0.00 -0.48 0.00 3.38 -0.74 -0.51 115.31 117.78 1xab h LEU 20 Ca 0.17 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 1xab h LEU 20 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1xab h LEU 20 CO 0.01 0.06 -0.36 0.11 0.09 0.00 0.00 178.44 178.35 1xab h LYS 21 N 0.00 0.85 0.10 1.13 1.57 -0.52 -0.15 116.57 119.55 1xab h LYS 21 Ca -0.00 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1xab h LYS 21 Cb 0.12 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1xab h LYS 21 CO 0.01 1.07 -0.05 0.28 -0.57 0.00 0.00 179.45 180.19 1xab h VAL 22 N 0.71 1.07 -0.42 0.50 2.07 -0.77 -2.14 116.25 117.26 1xab h VAL 22 Ca 0.06 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.97 1xab h VAL 22 Cb 0.93 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1xab h VAL 22 CO 0.09 0.16 0.22 -0.07 0.02 0.00 0.00 177.57 177.98 1xab h LEU 23 N -0.43 0.33 -1.50 2.57 3.38 -1.10 -0.37 115.31 118.20 1xab h LEU 23 Ca -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1xab h LEU 23 Cb 0.36 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1xab h LEU 23 CO 0.02 0.24 0.24 0.03 0.09 0.00 0.00 178.44 179.06 1xab h ARG 24 N 0.44 0.58 -0.40 1.13 3.08 -1.03 0.17 114.38 118.36 1xab h ARG 24 Ca 0.18 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.05 1xab h ARG 24 Cb 0.07 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1xab h ARG 24 CO -0.12 0.42 -0.26 0.00 -1.07 0.00 0.00 179.97 178.95 1xab h ALA 25 N 1.68 0.79 -0.00 0.04 0.00 -0.60 -0.75 119.26 120.41 1xab h ALA 25 Ca 0.15 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 1xab h ALA 25 Cb 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1xab h ALA 25 CO -0.03 0.65 -0.75 -0.07 0.00 0.00 0.00 179.25 179.05 1xab h LEU 26 N 0.71 0.06 -0.35 0.00 3.38 -0.34 -2.75 115.31 116.02 1xab h LEU 26 Ca 0.09 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1xab h LEU 26 Cb 0.80 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1xab h LEU 26 CO 0.07 0.79 -0.04 -0.78 0.09 0.00 0.00 178.44 178.57 1xab h ASP 27 N 0.03 0.64 0.03 -0.43 3.58 -0.22 0.84 116.42 120.91 1xab h ASP 27 Ca -0.01 -0.34 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 1xab h ASP 27 Cb 1.33 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1xab h ASP 27 CO 0.10 0.82 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.94 1xab h GLU 28 N 0.44 -0.05 -0.42 0.28 3.07 -1.14 0.36 114.58 117.12 1xab h GLU 28 Ca 0.09 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 1xab h GLU 28 Cb 0.52 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 1xab h GLU 28 CO 0.03 0.08 0.19 0.00 -1.40 0.00 0.00 179.01 177.91 1xab h ALA 29 N 0.80 1.54 0.00 3.43 0.00 -1.35 -3.31 119.26 120.37 1xab h ALA 29 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xab h ALA 29 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xab h ALA 29 CO 0.01 0.36 -0.31 0.39 0.00 0.00 0.00 179.25 179.71 1xab n GLU 30 N -4.39 4.96 -2.20 0.00 4.71 0.28 -5.05 120.64 118.95 1xab n GLU 30 Ca 0.03 -0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.13 1xab n GLU 30 Cb 0.13 -0.67 0.02 0.00 -1.01 0.00 0.00 31.44 29.91 1xab n GLU 30 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xab n GLY 31 N 1.38 -0.04 0.02 0.62 0.00 0.13 -4.94 105.19 102.35 1xab n GLY 31 Ca 0.00 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.23 1xab n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xab n LEU 32 N -2.07 0.21 -2.95 0.99 4.32 -1.25 -4.93 117.00 111.32 1xab n LEU 32 Ca -0.02 0.47 -0.13 0.00 -0.02 0.00 0.00 56.01 56.30 1xab n LEU 32 Cb 0.54 -0.44 0.07 0.00 -1.62 0.00 0.00 43.42 41.97 1xab n LEU 32 CO 0.24 -0.02 0.07 0.61 -1.22 0.00 0.00 177.39 177.06 1xab n GLY 33 N 1.46 -0.38 3.73 -0.72 0.00 -1.26 -3.50 105.19 104.52 1xab n GLY 33 Ca 0.07 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1xab n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xab s LEU 34 N -5.34 4.40 -0.03 0.99 0.20 -1.26 0.17 118.68 117.81 1xab s LEU 34 Ca 0.11 2.28 -0.00 0.00 0.69 0.00 0.00 54.13 57.21 1xab s LEU 34 Cb -0.01 -3.60 0.03 0.00 -0.43 0.00 0.00 46.19 42.18 1xab s LEU 34 CO 0.59 -0.53 0.05 0.00 -0.29 0.00 0.00 176.35 176.16 1xab s ALA 35 N 0.58 0.02 0.06 5.97 0.00 0.28 -4.90 121.76 123.77 1xab s ALA 35 Ca 0.59 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 1xab s ALA 35 Cb -0.35 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.53 1xab s ALA 35 CO 0.34 -0.11 0.27 1.52 0.00 0.00 0.00 175.76 177.78 1xab s TYR 36 N 0.99 -0.03 -0.00 0.00 -0.85 -1.26 -0.49 117.35 115.71 1xab s TYR 36 Ca -0.08 -0.19 0.00 0.00 -0.52 0.00 0.00 57.07 56.28 1xab s TYR 36 Cb -0.12 0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.28 1xab s TYR 36 CO -0.03 -0.51 -0.01 -2.00 -1.52 0.00 0.00 175.55 171.48 1xab s GLU 37 N -2.90 0.12 -0.15 -3.49 2.12 -1.16 -4.99 118.70 108.26 1xab s GLU 37 Ca -0.03 -0.03 -0.17 0.00 0.36 0.00 0.00 54.97 55.11 1xab s GLU 37 Cb 0.00 -0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.20 1xab s GLU 37 CO -0.06 0.01 0.45 0.08 -0.54 0.00 0.00 175.26 175.20 1xab s VAL 38 N 0.12 5.19 0.07 3.70 1.01 -1.26 -0.93 120.40 128.30 1xab s VAL 38 Ca -0.01 0.86 0.07 0.00 0.00 0.00 0.00 61.98 62.90 1xab s VAL 38 Cb -0.02 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1xab s VAL 38 CO -0.00 0.30 -0.20 -0.36 0.00 0.00 0.00 175.10 174.84 1xab s PHE 39 N 0.89 1.71 0.06 5.22 0.08 0.12 -4.95 117.98 121.12 1xab s PHE 39 Ca 0.23 -0.40 -0.31 0.00 0.12 0.00 0.00 56.93 56.58 1xab s PHE 39 Cb -0.15 -0.98 -0.06 0.00 -0.57 0.00 0.00 43.02 41.26 1xab s PHE 39 CO 0.09 0.14 1.23 -1.25 -0.10 0.00 0.00 175.22 175.32 1xab s PRO 40 N -1.53 4.41 0.03 0.24 0.04 -1.26 -4.38 135.00 132.56 1xab s PRO 40 Ca 0.06 1.81 -0.08 0.00 0.04 0.00 0.00 61.00 62.83 1xab s PRO 40 Cb -0.09 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.10 1xab s PRO 40 CO 0.03 -0.30 0.16 0.12 0.04 0.00 0.00 177.00 177.05 1xab s PHE 41 N 1.14 0.09 0.00 0.56 5.36 -1.26 -4.61 117.98 119.26 1xab s PHE 41 Ca 0.59 -0.31 0.00 0.00 -0.96 0.00 0.00 56.93 56.25 1xab s PHE 41 Cb -0.30 -0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.31 1xab s PHE 41 CO 0.29 -0.39 0.00 0.41 -1.46 0.00 0.00 175.22 174.07 1xab n GLY 42 N 0.83 0.20 0.27 13.12 0.00 0.21 -3.51 105.19 116.31 1xab n GLY 42 Ca -0.19 -0.96 -0.06 0.00 0.00 0.00 0.00 46.02 44.81 1xab n GLY 42 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xab h GLY 43 N 0.00 0.94 0.25 -0.02 0.00 -1.93 0.63 103.07 102.94 1xab h GLY 43 Ca 0.00 -0.37 0.12 0.00 0.00 0.00 0.00 47.33 47.08 1xab h GLY 43 CO 0.00 0.36 0.25 0.00 0.00 0.00 0.00 176.54 177.15 1xab h ALA 44 N 1.23 0.90 -0.40 3.60 0.00 -1.87 0.86 119.26 123.58 1xab h ALA 44 Ca 0.24 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1xab h ALA 44 Cb -0.07 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xab h ALA 44 CO -0.05 -0.21 -0.14 0.00 0.00 0.00 0.00 179.25 178.85 1xab h ALA 45 N 1.49 0.56 0.14 0.00 0.00 -1.45 0.15 119.26 120.15 1xab h ALA 45 Ca 0.36 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xab h ALA 45 Cb 0.50 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1xab h ALA 45 CO -0.37 0.47 -0.27 0.82 0.00 0.00 0.00 179.25 179.90 1xab h ILE 46 N 0.61 0.41 -0.82 0.00 2.04 -0.35 0.97 117.51 120.36 1xab h ILE 46 Ca 0.10 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.98 1xab h ILE 46 Cb 0.68 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1xab h ILE 46 CO 0.05 0.00 0.54 0.44 0.00 0.00 0.00 178.15 179.18 1xab h ASP 47 N -0.49 0.91 0.45 1.72 3.32 -0.69 0.83 116.42 122.46 1xab h ASP 47 Ca 0.03 -0.02 -0.30 0.00 0.02 0.00 0.00 57.03 56.76 1xab h ASP 47 Cb 0.51 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 1xab h ASP 47 CO -0.14 0.64 -1.73 0.00 -1.72 0.00 0.00 179.24 176.29 1xab n ALA 48 N -2.41 1.42 -0.01 3.45 0.00 0.52 -4.61 120.51 118.88 1xab n ALA 48 Ca 0.10 -0.73 -0.00 0.00 0.00 0.00 0.00 53.44 52.80 1xab n ALA 48 Cb 0.07 -0.84 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 1xab n ALA 48 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xab n PHE 49 N -3.10 0.00 -0.10 0.00 3.72 0.32 -5.03 117.46 113.26 1xab n PHE 49 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1xab n PHE 49 Cb 1.05 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 1xab n PHE 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xab n GLY 50 N 2.71 0.95 3.53 1.37 0.00 0.29 -4.97 105.19 109.07 1xab n GLY 50 Ca -0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1xab n GLY 50 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xab s GLU 51 N -0.81 0.95 0.45 1.61 -1.05 -1.23 -4.87 118.70 113.74 1xab s GLU 51 Ca 0.00 0.18 0.24 0.00 -0.15 0.00 0.00 54.97 55.24 1xab s GLU 51 Cb 0.00 0.45 0.48 0.00 -0.44 0.00 0.00 34.13 34.62 1xab s GLU 51 CO 0.00 -0.31 1.66 -1.00 0.95 0.00 0.00 175.26 176.56 1xab h PRO 52 N 2.81 0.00 -2.17 -4.83 0.13 -1.75 -2.80 132.00 123.39 1xab h PRO 52 Ca -0.25 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.31 1xab h PRO 52 Cb 1.16 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.87 1xab h PRO 52 CO 0.37 0.01 -0.79 0.34 -0.23 0.00 0.00 178.00 177.70 1xab n PHE 53 N -3.10 2.67 -1.24 1.56 7.35 -1.26 -0.62 117.46 122.82 1xab n PHE 53 Ca 0.03 -3.96 -0.31 0.00 -0.76 0.00 0.00 57.45 52.46 1xab n PHE 53 Cb 0.50 -0.48 0.10 0.00 0.35 0.00 0.00 39.48 39.95 1xab n PHE 53 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1xab s PRO 54 N -2.71 2.17 0.36 -7.13 0.04 -1.26 -4.65 135.00 121.82 1xab s PRO 54 Ca 0.43 1.16 0.12 0.00 0.04 0.00 0.00 61.00 62.75 1xab s PRO 54 Cb 0.24 -1.89 0.92 0.00 0.04 0.00 0.00 34.50 33.81 1xab s PRO 54 CO -0.09 -1.70 1.80 0.93 0.04 0.00 0.00 177.00 177.98 1xab h GLU 55 N -1.17 0.56 -0.48 4.56 4.39 -1.98 -0.89 114.58 119.57 1xab h GLU 55 Ca -0.44 -0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.32 1xab h GLU 55 Cb 1.23 -0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 29.67 1xab h GLU 55 CO 0.51 0.37 -0.07 -1.35 -1.16 0.00 0.00 179.01 177.32 1xab h PRO 56 N 0.58 0.05 -0.47 2.33 0.11 -1.98 -0.44 132.00 132.19 1xab h PRO 56 Ca 0.55 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.53 1xab h PRO 56 Cb 1.11 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1xab h PRO 56 CO -0.30 0.03 -0.21 1.15 -0.21 0.00 0.00 178.00 178.46 1xab h THR 57 N 0.05 1.27 -0.33 -1.15 2.02 -1.49 -0.72 112.91 112.56 1xab h THR 57 Ca 0.24 -1.36 0.03 0.00 0.77 0.00 0.00 66.41 66.09 1xab h THR 57 Cb 0.36 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1xab h THR 57 CO -0.46 0.47 0.13 0.03 0.37 0.00 0.00 175.52 176.06 1xab h ARG 58 N 0.82 0.27 -0.51 6.66 3.08 -0.78 0.12 114.38 124.05 1xab h ARG 58 Ca 0.11 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1xab h ARG 58 Cb 0.77 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1xab h ARG 58 CO 0.06 0.18 0.15 -0.22 -1.07 0.00 0.00 179.97 179.07 1xab h LYS 59 N 0.28 0.80 -0.17 0.04 3.64 -1.03 0.78 116.57 120.91 1xab h LYS 59 Ca 0.14 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1xab h LYS 59 Cb 0.09 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1xab h LYS 59 CO -0.13 0.75 -0.30 0.78 -2.27 0.00 0.00 179.45 178.28 1xab h GLY 60 N 0.70 0.36 1.06 5.01 0.00 -0.59 0.10 103.07 109.71 1xab h GLY 60 Ca 0.16 -0.30 -0.20 0.00 0.00 0.00 0.00 47.33 46.99 1xab h GLY 60 CO -0.00 0.27 -0.71 -2.08 0.00 0.00 0.00 176.54 174.02 1xab h VAL 61 N 0.29 1.31 -0.67 4.60 2.07 -0.63 -2.72 116.25 120.51 1xab h VAL 61 Ca 0.04 -1.96 0.10 0.00 0.82 0.00 0.00 66.70 65.70 1xab h VAL 61 Cb 0.69 2.13 -0.07 0.00 -1.52 0.00 0.00 31.29 32.52 1xab h VAL 61 CO 0.05 0.61 0.30 -0.08 0.02 0.00 0.00 177.57 178.47 1xab h GLU 62 N 0.35 0.50 -0.03 1.57 4.57 -0.18 -2.81 114.58 118.55 1xab h GLU 62 Ca -0.06 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1xab h GLU 62 Cb 1.35 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1xab h GLU 62 CO 0.15 0.33 0.00 0.39 -1.18 0.00 0.00 179.01 178.69 1xab n GLU 63 N -4.93 1.59 -3.31 1.92 1.02 0.29 -4.91 120.64 112.31 1xab n GLU 63 Ca 0.10 -0.85 -0.20 0.00 -0.02 0.00 0.00 57.16 56.19 1xab n GLU 63 Cb 0.28 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1xab n GLU 63 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xab s ALA 64 N -1.97 4.16 -0.51 0.62 0.00 -1.03 -5.03 121.76 118.00 1xab s ALA 64 Ca 0.38 -1.40 0.23 0.00 0.00 0.00 0.00 51.96 51.18 1xab s ALA 64 Cb 0.20 -1.78 0.15 0.00 0.00 0.00 0.00 23.12 21.70 1xab s ALA 64 CO 0.33 -0.15 1.14 0.39 0.00 0.00 0.00 175.76 177.47 1xab n GLU 65 N -1.77 0.38 -3.49 0.00 1.02 0.30 -4.75 120.64 112.34 1xab n GLU 65 Ca 0.01 0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 57.08 1xab n GLU 65 Cb 0.58 -1.69 -0.04 0.00 -0.02 0.00 0.00 31.44 30.27 1xab n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xab s ALA 66 N -3.24 -1.73 -0.11 0.62 0.00 -1.11 -4.38 121.76 111.81 1xab s ALA 66 Ca 0.03 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1xab s ALA 66 Cb 0.13 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 1xab s ALA 66 CO 0.77 -0.57 -0.12 0.08 0.00 0.00 0.00 175.76 175.92 1xab s VAL 67 N -2.46 3.16 -0.34 0.00 1.01 0.16 -1.16 120.40 120.78 1xab s VAL 67 Ca -0.03 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 1xab s VAL 67 Cb -0.01 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 34.09 1xab s VAL 67 CO -0.03 0.55 0.15 -0.22 0.00 0.00 0.00 175.10 175.55 1xab s LEU 68 N -0.02 4.33 -0.03 3.92 0.20 -0.34 -1.31 118.68 125.43 1xab s LEU 68 Ca -0.03 -0.86 0.02 0.00 0.69 0.00 0.00 54.13 53.94 1xab s LEU 68 Cb -0.14 -1.96 -0.03 0.00 -0.43 0.00 0.00 46.19 43.63 1xab s LEU 68 CO 0.04 -0.29 -0.04 -0.22 -0.29 0.00 0.00 176.35 175.54 1xab s LEU 69 N 1.53 3.31 0.00 -0.68 0.20 0.18 -0.65 118.68 122.57 1xab s LEU 69 Ca 0.02 -0.04 0.00 0.00 0.69 0.00 0.00 54.13 54.80 1xab s LEU 69 Cb -0.18 -1.84 0.00 0.00 -0.43 0.00 0.00 46.19 43.74 1xab s LEU 69 CO 0.05 0.31 0.00 0.61 -0.29 0.00 0.00 176.35 177.03 1xab n GLY 70 N 1.75 1.17 3.31 7.98 0.00 0.08 -4.29 105.19 115.20 1xab n GLY 70 Ca -0.16 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 1xab n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xab s SER 71 N -1.00 2.99 0.18 1.61 0.01 -1.08 -4.58 113.70 111.82 1xab s SER 71 Ca 0.00 -0.48 0.11 0.00 1.31 0.00 0.00 55.95 56.89 1xab s SER 71 Cb 0.00 -0.32 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1xab s SER 71 CO 0.00 0.30 -0.23 -0.69 0.41 0.00 0.00 173.24 173.02 1xab s VAL 72 N -0.64 2.41 0.00 3.43 1.01 -1.26 0.19 120.40 125.54 1xab s VAL 72 Ca 0.10 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.13 1xab s VAL 72 Cb -0.10 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1xab s VAL 72 CO -0.00 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1xab n GLY 73 N 0.36 3.38 3.63 4.51 0.00 -1.26 -4.35 105.19 111.46 1xab n GLY 73 Ca -0.13 -1.62 -0.04 0.00 0.00 0.00 0.00 46.02 44.22 1xab n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xab s GLY 74 N 0.00 0.10 0.36 -0.02 0.00 -1.26 -4.74 107.32 101.75 1xab s GLY 74 Ca 0.00 2.92 0.15 0.00 0.00 0.00 0.00 44.72 47.79 1xab s GLY 74 CO 0.00 1.45 1.71 -2.55 0.00 0.00 0.00 173.10 173.71 1xab h PRO 75 N 2.72 0.39 -0.30 2.90 0.11 -2.02 0.13 132.00 135.94 1xab h PRO 75 Ca -0.18 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.99 1xab h PRO 75 Cb 1.19 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1xab h PRO 75 CO 0.21 0.26 0.30 -0.22 -0.21 0.00 0.00 178.00 178.34 1xab h LYS 76 N 0.41 0.00 -0.01 1.05 3.64 -2.04 -1.43 116.57 118.19 1xab h LYS 76 Ca 0.68 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.06 1xab h LYS 76 Cb 1.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 1xab h LYS 76 CO -0.46 0.00 -0.17 0.91 -2.27 0.00 0.00 179.45 177.46 1xab n TRP 77 N -3.89 0.00 0.28 1.91 8.01 0.44 -4.54 117.44 119.64 1xab n TRP 77 Ca 0.04 0.00 0.16 0.00 -1.31 0.00 0.00 57.50 56.39 1xab n TRP 77 Cb 0.45 0.00 0.80 0.00 -2.01 0.00 0.00 31.31 30.55 1xab n TRP 77 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 1xab h ASP 78 N 1.32 0.00 0.19 -0.99 3.32 -0.94 -2.36 116.42 116.96 1xab h ASP 78 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xab h ASP 78 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1xab h ASP 78 CO 0.00 0.07 -0.57 0.61 -1.72 0.00 0.00 179.24 177.63 1xab n GLY 79 N -0.48 -0.75 3.75 2.75 0.00 -1.26 -4.98 105.19 104.21 1xab n GLY 79 Ca -0.01 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 1xab n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xab s LEU 80 N -2.76 3.38 -0.06 0.99 1.43 -0.89 -4.91 118.68 115.85 1xab s LEU 80 Ca 0.15 2.20 -0.40 0.00 -1.03 0.00 0.00 54.13 55.05 1xab s LEU 80 Cb 0.18 -4.57 -0.20 0.00 0.03 0.00 0.00 46.19 41.63 1xab s LEU 80 CO 0.67 -1.93 1.11 -0.81 0.23 0.00 0.00 176.35 175.62 1xab n PRO 81 N -2.50 0.00 -0.40 1.29 -0.04 -1.26 -4.66 135.00 127.44 1xab n PRO 81 Ca 0.12 0.00 0.32 0.00 -0.04 0.00 0.00 63.50 63.90 1xab n PRO 81 Cb 0.51 -1.46 0.61 0.00 -0.04 0.00 0.00 33.50 33.12 1xab n PRO 81 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1xab h ARG 82 N 3.17 0.19 -0.44 0.54 2.43 -1.97 0.36 114.38 118.66 1xab h ARG 82 Ca -0.49 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 58.74 1xab h ARG 82 Cb 1.39 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.83 1xab h ARG 82 CO 0.67 0.12 0.06 -0.22 -1.51 0.00 0.00 179.97 179.09 1xab h LYS 83 N 0.19 0.17 -0.52 0.20 3.64 -2.02 -3.17 116.57 115.06 1xab h LYS 83 Ca 0.71 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.08 1xab h LYS 83 Cb 2.18 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.96 1xab h LYS 83 CO -0.32 0.11 0.00 0.44 -2.27 0.00 0.00 179.45 177.41 1xab n ILE 84 N -5.14 0.88 -1.52 2.00 -5.35 0.12 -4.82 119.36 105.53 1xab n ILE 84 Ca 0.04 -0.94 -0.33 0.00 -0.27 0.00 0.00 62.75 61.25 1xab n ILE 84 Cb 0.22 0.60 0.08 0.00 -1.74 0.00 0.00 39.64 38.79 1xab n ILE 84 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1xab s ARG 85 N -1.07 2.40 0.16 6.28 0.52 -0.92 -4.21 118.95 122.11 1xab s ARG 85 Ca 0.37 1.49 -0.16 0.00 -0.52 0.00 0.00 55.73 56.91 1xab s ARG 85 Cb 0.20 -1.89 0.07 0.00 0.52 0.00 0.00 34.95 33.85 1xab s ARG 85 CO 0.26 -1.58 1.74 -1.35 0.02 0.00 0.00 175.30 174.39 1xab h PRO 86 N -0.35 0.23 -0.89 3.54 0.11 -1.91 -1.11 132.00 131.62 1xab h PRO 86 Ca -0.46 -0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.85 1xab h PRO 86 Cb 1.26 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1xab h PRO 86 CO 0.51 0.15 0.60 1.05 -0.21 0.00 0.00 178.00 180.11 1xab h GLU 87 N 0.24 0.27 0.19 1.05 4.11 -1.92 -2.33 114.58 116.18 1xab h GLU 87 Ca 0.17 -0.02 -0.31 0.00 0.07 0.00 0.00 59.36 59.27 1xab h GLU 87 Cb 0.17 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 29.39 1xab h GLU 87 CO -0.20 0.18 -1.36 1.15 0.07 0.00 0.00 179.01 178.85 1xab h THR 88 N 0.27 1.32 -0.74 -1.06 2.02 -1.49 -3.16 112.91 110.08 1xab h THR 88 Ca 0.45 -2.69 0.15 0.00 0.77 0.00 0.00 66.41 65.10 1xab h THR 88 Cb 1.33 2.91 -0.05 0.00 -1.74 0.00 0.00 68.15 70.60 1xab h THR 88 CO -0.13 0.80 0.49 1.23 0.37 0.00 0.00 175.52 178.29 1xab h GLY 89 N 0.48 0.64 1.08 2.16 0.00 -1.13 0.45 103.07 106.74 1xab h GLY 89 Ca -0.21 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 46.99 1xab h GLY 89 CO 0.25 0.05 0.55 1.41 0.00 0.00 0.00 176.54 178.80 1xab h LEU 90 N 0.38 0.89 -0.18 3.11 3.38 -1.49 0.20 115.31 121.59 1xab h LEU 90 Ca 0.36 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 58.09 1xab h LEU 90 Cb 0.87 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1xab h LEU 90 CO -0.11 0.62 -0.94 -0.07 0.09 0.00 0.00 178.44 178.03 1xab h LEU 91 N 1.04 0.53 -0.38 1.67 3.38 -1.03 -1.29 115.31 119.23 1xab h LEU 91 Ca 0.33 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1xab h LEU 91 Cb 0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1xab h LEU 91 CO -0.09 1.22 0.01 0.28 0.09 0.00 0.00 178.44 179.95 1xab h SER 92 N 0.23 0.65 0.22 -0.43 0.02 -0.62 0.22 113.55 113.84 1xab h SER 92 Ca -0.08 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1xab h SER 92 Cb 1.57 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.92 1xab h SER 92 CO 0.16 0.79 -0.24 0.25 -1.14 0.00 0.00 176.83 176.65 1xab h LEU 93 N 0.49 -0.65 -0.47 5.07 6.46 -0.63 0.27 115.31 125.85 1xab h LEU 93 Ca 0.11 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 58.00 1xab h LEU 93 Cb 0.46 0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 40.56 1xab h LEU 93 CO 0.02 -0.35 0.14 -0.09 -0.62 0.00 0.00 178.44 177.54 1xab h ARG 94 N -0.50 0.29 -0.46 1.25 2.43 -1.02 -2.43 114.38 113.94 1xab h ARG 94 Ca 0.00 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1xab h ARG 94 Cb 0.48 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1xab h ARG 94 CO -0.07 0.19 0.28 0.87 -1.51 0.00 0.00 179.97 179.73 1xab h LYS 95 N 0.29 0.55 -0.84 0.20 1.57 -0.48 -0.92 116.57 116.95 1xab h LYS 95 Ca 0.23 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1xab h LYS 95 Cb 0.26 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 1xab h LYS 95 CO -0.26 0.36 0.55 0.66 -0.57 0.00 0.00 179.45 180.20 1xab h SER 96 N 0.57 0.91 -0.46 0.86 4.64 0.02 -1.55 113.55 118.54 1xab h SER 96 Ca 0.18 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1xab h SER 96 Cb -0.01 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1xab h SER 96 CO -0.07 0.64 0.00 0.00 -0.87 0.00 0.00 176.83 176.53 1xab n GLN 97 N -4.44 2.39 -4.08 4.77 1.13 -1.06 -4.89 117.38 111.21 1xab n GLN 97 Ca 0.10 -2.13 -0.28 0.00 -1.94 0.00 0.00 57.00 52.76 1xab n GLN 97 Cb 0.08 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 28.90 1xab n GLN 97 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xab n ASP 98 N 1.29 -0.05 -4.67 1.08 8.00 -0.37 -0.05 116.55 121.77 1xab n ASP 98 Ca 0.20 -1.11 -0.43 0.00 0.71 0.00 0.00 54.79 54.16 1xab n ASP 98 Cb 0.54 -2.50 -0.02 0.00 -0.02 0.00 0.00 41.12 39.12 1xab n ASP 98 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xab s LEU 99 N -7.12 4.15 0.00 0.64 1.43 -1.10 -2.02 118.68 114.66 1xab s LEU 99 Ca 0.02 1.51 0.04 0.00 -1.03 0.00 0.00 54.13 54.68 1xab s LEU 99 Cb -0.01 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.76 1xab s LEU 99 CO 0.93 -0.66 1.01 2.22 0.23 0.00 0.00 176.35 180.08 1xab n PHE 100 N 6.14 0.13 -3.69 0.29 1.16 0.28 -4.78 117.46 117.00 1xab n PHE 100 Ca 0.12 -0.42 -0.14 0.00 -1.87 0.00 0.00 57.45 55.15 1xab n PHE 100 Cb 0.46 -0.03 -0.14 0.00 -1.61 0.00 0.00 39.48 38.16 1xab n PHE 100 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1xab s ALA 101 N -0.89 -0.45 -0.16 1.98 0.00 -0.90 -1.58 121.76 119.75 1xab s ALA 101 Ca 0.08 0.86 -0.10 0.00 0.00 0.00 0.00 51.96 52.80 1xab s ALA 101 Cb 0.04 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 1xab s ALA 101 CO 0.05 -0.43 0.17 1.21 0.00 0.00 0.00 175.76 176.77 1xab s ASN 102 N 1.88 6.33 -0.16 0.00 3.04 -0.04 -0.69 114.94 125.30 1xab s ASN 102 Ca -0.03 0.38 0.01 0.00 0.04 0.00 0.00 52.86 53.26 1xab s ASN 102 Cb -0.11 -2.11 0.02 0.00 -1.54 0.00 0.00 41.25 37.51 1xab s ASN 102 CO -0.08 0.23 -0.18 -0.76 -3.04 0.00 0.00 177.10 173.28 1xab s LEU 103 N -0.06 1.93 -0.31 3.21 1.02 0.07 -1.06 118.68 123.48 1xab s LEU 103 Ca 0.12 -0.56 0.01 0.00 0.02 0.00 0.00 54.13 53.72 1xab s LEU 103 Cb -0.12 -1.33 0.09 0.00 0.02 0.00 0.00 46.19 44.85 1xab s LEU 103 CO 0.01 -0.01 0.06 -0.13 0.02 0.00 0.00 176.35 176.31 1xab s ARG 104 N 1.25 1.10 0.07 1.70 1.81 -0.64 -1.33 118.95 122.92 1xab s ARG 104 Ca 0.02 -1.34 -0.25 0.00 -1.72 0.00 0.00 55.73 52.44 1xab s ARG 104 Cb -0.14 -2.51 -0.06 0.00 -0.45 0.00 0.00 34.95 31.80 1xab s ARG 104 CO -0.09 -0.91 0.77 -1.25 -0.68 0.00 0.00 175.30 173.13 1xab s PRO 105 N 1.33 4.51 -0.14 3.54 0.04 -1.26 -1.44 135.00 141.58 1xab s PRO 105 Ca 0.08 1.08 0.02 0.00 0.04 0.00 0.00 61.00 62.22 1xab s PRO 105 Cb -0.18 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.03 1xab s PRO 105 CO -0.16 0.36 -0.20 0.00 0.04 0.00 0.00 177.00 177.03 1xab s ALA 106 N -0.33 2.32 -0.02 8.56 0.00 0.22 -4.69 121.76 127.82 1xab s ALA 106 Ca 0.38 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1xab s ALA 106 Cb -0.21 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 21.89 1xab s ALA 106 CO 0.24 -0.01 0.02 0.21 0.00 0.00 0.00 175.76 176.22 1xab s LYS 107 N 0.78 0.01 -0.59 0.00 2.20 -1.26 -1.17 119.74 119.71 1xab s LYS 107 Ca -0.07 0.17 -0.21 0.00 -0.36 0.00 0.00 55.97 55.50 1xab s LYS 107 Cb -0.16 -0.27 0.08 0.00 -1.51 0.00 0.00 37.83 35.97 1xab s LYS 107 CO -0.01 -0.16 0.79 0.08 -0.36 0.00 0.00 175.35 175.69 1xab s VAL 108 N 1.04 4.64 0.60 4.02 1.01 0.64 -4.74 120.40 127.61 1xab s VAL 108 Ca -0.09 -0.56 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 1xab s VAL 108 Cb -0.13 -4.51 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 1xab s VAL 108 CO -0.03 -1.15 1.27 -0.36 0.00 0.00 0.00 175.10 174.83 1xab s PHE 109 N 3.21 2.26 0.27 5.22 0.08 -1.26 -4.32 117.98 123.44 1xab s PHE 109 Ca 0.17 1.48 -0.30 0.00 0.12 0.00 0.00 56.93 58.40 1xab s PHE 109 Cb -0.20 -3.62 -0.13 0.00 -0.57 0.00 0.00 43.02 38.50 1xab s PHE 109 CO 0.10 -2.59 1.28 -2.30 -0.10 0.00 0.00 175.22 171.61 1xab n PRO 110 N -1.60 1.84 -0.91 0.24 -0.02 -1.26 -1.59 135.00 131.71 1xab n PRO 110 Ca 0.14 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1xab n PRO 110 Cb 0.48 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1xab n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xab n GLY 111 N 1.61 0.96 0.96 -1.23 0.00 -1.26 -4.83 105.19 101.41 1xab n GLY 111 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1xab n GLY 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xab n LEU 112 N 0.00 4.01 0.29 0.99 4.77 -0.62 -4.57 117.00 121.87 1xab n LEU 112 Ca 0.00 -3.05 0.14 0.00 -0.03 0.00 0.00 56.01 53.07 1xab n LEU 112 Cb 0.00 -0.56 0.85 0.00 -2.33 0.00 0.00 43.42 41.38 1xab n LEU 112 CO 0.00 0.69 1.10 -0.33 -1.33 0.00 0.00 177.39 177.52 1xab h GLU 113 N 1.88 0.00 -0.80 3.23 3.07 -1.88 -1.92 114.58 118.16 1xab h GLU 113 Ca 0.01 0.00 0.18 0.00 -0.50 0.00 0.00 59.36 59.05 1xab h GLU 113 Cb 1.49 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.35 1xab h GLU 113 CO 0.25 0.02 0.54 0.07 -1.40 0.00 0.00 179.01 178.49 1xab h ARG 114 N 0.00 0.32 0.00 2.33 0.11 -1.94 -1.67 114.38 113.53 1xab h ARG 114 Ca -0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1xab h ARG 114 Cb 0.04 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.05 1xab h ARG 114 CO 0.00 0.21 0.00 -0.07 0.10 0.00 0.00 179.97 180.21 1xab h LEU 115 N 0.33 0.00 -9.96 0.08 3.38 -1.59 -3.47 115.31 104.08 1xab h LEU 115 Ca 0.40 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.84 1xab h LEU 115 Cb 1.06 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.90 1xab h LEU 115 CO -0.12 0.00 0.62 -0.55 0.09 0.00 0.00 178.44 178.49 1xab s SER 116 N -6.10 6.18 0.58 -0.43 0.15 -0.63 -3.97 113.70 109.49 1xab s SER 116 Ca 0.07 2.69 0.28 0.00 0.70 0.00 0.00 55.95 59.69 1xab s SER 116 Cb 0.06 -2.64 1.70 0.00 -1.71 0.00 0.00 66.02 63.42 1xab s SER 116 CO 0.66 -0.94 2.19 1.55 1.20 0.00 0.00 173.24 177.90 1xab h PRO 117 N 2.53 0.00 -6.94 5.44 0.13 -1.78 -3.45 132.00 127.94 1xab h PRO 117 Ca -0.50 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.14 1xab h PRO 117 Cb 1.25 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.40 1xab h PRO 117 CO 0.62 0.00 0.15 -0.51 -0.23 0.00 0.00 178.00 178.03 1xab s LEU 118 N -7.84 3.69 0.33 1.56 1.43 -1.26 -5.03 118.68 111.56 1xab s LEU 118 Ca -0.05 1.09 -0.29 0.00 -1.03 0.00 0.00 54.13 53.85 1xab s LEU 118 Cb 0.15 -4.02 -0.11 0.00 0.03 0.00 0.00 46.19 42.25 1xab s LEU 118 CO 0.57 -0.52 1.53 -0.54 0.23 0.00 0.00 176.35 177.62 1xab s LYS 119 N -4.33 4.12 0.11 1.70 1.02 -1.26 -4.69 119.74 116.42 1xab s LYS 119 Ca 0.50 2.56 -0.03 0.00 0.02 0.00 0.00 55.97 59.02 1xab s LYS 119 Cb -0.10 -3.00 0.18 0.00 -0.52 0.00 0.00 37.83 34.39 1xab s LYS 119 CO 0.39 -0.57 0.61 -1.91 -0.92 0.00 0.00 175.35 172.95 1xab n GLU 120 N 1.31 -0.04 0.09 1.68 2.13 -1.26 0.32 120.64 124.88 1xab n GLU 120 Ca 0.04 0.61 0.02 0.00 0.66 0.00 0.00 57.16 58.49 1xab n GLU 120 Cb 0.38 -0.92 0.36 0.00 0.27 0.00 0.00 31.44 31.53 1xab n GLU 120 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1xab h GLU 121 N 0.00 0.30 0.19 5.31 3.07 -1.95 0.67 114.58 122.16 1xab h GLU 121 Ca 0.19 -0.07 -0.34 0.00 -0.50 0.00 0.00 59.36 58.64 1xab h GLU 121 Cb 0.29 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1xab h GLU 121 CO -0.41 0.43 -1.65 0.82 -1.40 0.00 0.00 179.01 176.81 1xab h ILE 122 N 0.28 1.06 0.00 3.13 2.04 -0.48 -3.36 117.51 120.18 1xab h ILE 122 Ca 0.06 -2.62 -0.06 0.00 1.00 0.00 0.00 64.86 63.25 1xab h ILE 122 Cb 0.40 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 1xab h ILE 122 CO 0.02 0.84 -0.26 0.00 0.00 0.00 0.00 178.15 178.75 1xab h ALA 123 N 0.20 1.23 -2.39 1.87 0.00 -1.00 -3.42 119.26 115.75 1xab h ALA 123 Ca -0.30 -0.24 -0.53 0.00 0.00 0.00 0.00 54.91 53.83 1xab h ALA 123 Cb 2.10 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.87 1xab h ALA 123 CO 0.20 0.33 1.12 0.50 0.00 0.00 0.00 179.25 181.39 1xab s ARG 124 N -4.02 4.16 0.00 0.00 3.52 0.19 -2.10 118.95 120.70 1xab s ARG 124 Ca -0.02 2.45 0.00 0.00 -0.13 0.00 0.00 55.73 58.03 1xab s ARG 124 Cb 0.13 -3.86 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 1xab s ARG 124 CO 0.66 -0.85 0.00 0.41 -0.81 0.00 0.00 175.30 174.71 1xab n GLY 125 N 4.25 0.66 3.72 8.12 0.00 -1.26 -4.85 105.19 115.83 1xab n GLY 125 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1xab n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xab s VAL 126 N -2.36 2.93 -0.36 1.61 1.01 -0.89 -4.79 120.40 117.55 1xab s VAL 126 Ca 0.00 0.68 0.04 0.00 0.00 0.00 0.00 61.98 62.70 1xab s VAL 126 Cb 0.00 -3.44 0.16 0.00 0.00 0.00 0.00 36.38 33.11 1xab s VAL 126 CO 0.00 0.06 0.45 -0.62 0.00 0.00 0.00 175.10 174.99 1xab s ASP 127 N 1.03 0.30 -0.02 3.32 -1.08 -1.25 -0.26 116.67 118.70 1xab s ASP 127 Ca 0.66 -1.12 0.06 0.00 -0.52 0.00 0.00 52.55 51.64 1xab s ASP 127 Cb -0.40 1.04 -0.01 0.00 -1.46 0.00 0.00 42.92 42.08 1xab s ASP 127 CO 0.32 -0.26 -0.19 0.54 0.52 0.00 0.00 175.17 176.10 1xab s VAL 128 N 1.78 1.53 -0.23 1.11 0.11 -0.32 -4.58 120.40 119.80 1xab s VAL 128 Ca 0.15 -0.82 -0.05 0.00 -2.93 0.00 0.00 61.98 58.32 1xab s VAL 128 Cb -0.12 -1.27 -0.02 0.00 -1.53 0.00 0.00 36.38 33.44 1xab s VAL 128 CO -0.10 0.43 0.01 -0.22 -3.33 0.00 0.00 175.10 171.89 1xab s LEU 129 N -0.43 3.19 -0.23 2.54 2.96 -0.42 -0.61 118.68 125.67 1xab s LEU 129 Ca 0.07 -0.28 -0.14 0.00 -0.22 0.00 0.00 54.13 53.56 1xab s LEU 129 Cb -0.08 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1xab s LEU 129 CO -0.01 -0.01 0.34 -0.63 -1.32 0.00 0.00 176.35 174.72 1xab s ILE 130 N 1.42 5.23 -0.30 6.68 -1.09 -0.52 -0.75 121.20 131.87 1xab s ILE 130 Ca 0.05 0.54 -0.08 0.00 -2.23 0.00 0.00 60.65 58.94 1xab s ILE 130 Cb -0.15 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1xab s ILE 130 CO 0.01 0.24 0.11 -0.69 -1.23 0.00 0.00 174.94 173.38 1xab s VAL 131 N 1.49 4.19 -0.19 2.92 1.01 0.58 -1.62 120.40 128.78 1xab s VAL 131 Ca 0.15 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 1xab s VAL 131 Cb -0.15 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1xab s VAL 131 CO 0.08 0.07 -0.03 -0.60 0.00 0.00 0.00 175.10 174.62 1xab s ARG 132 N 1.54 3.54 0.24 2.72 3.52 -0.23 -2.09 118.95 128.19 1xab s ARG 132 Ca 0.03 -0.56 -0.31 0.00 -0.13 0.00 0.00 55.73 54.76 1xab s ARG 132 Cb -0.17 -3.00 -0.11 0.00 -1.56 0.00 0.00 34.95 30.11 1xab s ARG 132 CO 0.04 -0.00 1.60 -2.00 -0.81 0.00 0.00 175.30 174.13 1xab s GLU 133 N 1.00 4.16 -0.02 5.12 -6.30 -1.04 -0.86 118.70 120.76 1xab s GLU 133 Ca 0.01 2.50 0.15 0.00 -2.50 0.00 0.00 54.97 55.13 1xab s GLU 133 Cb -0.14 -3.08 -0.22 0.00 0.00 0.00 0.00 34.13 30.69 1xab s GLU 133 CO 0.01 -0.63 0.36 1.28 0.02 0.00 0.00 175.26 176.30 1xab n LEU 134 N 3.05 0.09 -0.02 2.70 4.77 -0.62 -3.73 117.00 123.24 1xab n LEU 134 Ca 0.11 -0.07 0.05 0.00 -0.03 0.00 0.00 56.01 56.08 1xab n LEU 134 Cb 0.37 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.32 1xab n LEU 134 CO 0.63 0.02 -0.79 0.35 -1.33 0.00 0.00 177.39 176.27 1xab n THR 135 N -1.92 0.25 -2.90 -5.08 -2.24 -1.26 -5.02 114.28 96.10 1xab n THR 135 Ca -0.02 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1xab n THR 135 Cb 0.36 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1xab n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xab n GLY 136 N 1.57 7.47 6.48 3.38 0.00 -1.26 -4.85 105.19 117.99 1xab n GLY 136 Ca -0.08 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1xab n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xab n GLY 137 N 5.00 -1.54 0.23 -0.02 0.00 -1.24 -4.47 105.19 103.17 1xab n GLY 137 Ca 0.00 -1.36 0.05 0.00 0.00 0.00 0.00 46.02 44.71 1xab n GLY 137 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xab h ILE 138 N 0.00 1.13 0.00 -0.61 2.10 -1.85 -0.36 117.51 117.92 1xab h ILE 138 Ca 0.00 -0.60 -0.01 0.00 1.08 0.00 0.00 64.86 65.34 1xab h ILE 138 Cb 0.00 1.26 -0.00 0.00 -1.09 0.00 0.00 36.82 36.99 1xab h ILE 138 CO 0.00 0.18 -0.02 1.88 -1.08 0.00 0.00 178.15 179.10 1xab h TYR 139 N 0.06 0.00 0.00 2.19 0.05 -1.86 -2.92 116.97 114.50 1xab h TYR 139 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1xab h TYR 139 Cb 0.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 1xab h TYR 139 CO 0.00 0.02 -0.86 1.19 -1.05 0.00 0.00 178.16 177.46 1xab n PHE 140 N -3.93 0.00 -1.70 4.88 3.72 -0.85 -5.06 117.46 114.52 1xab n PHE 140 Ca -0.03 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.99 1xab n PHE 140 Cb 0.11 -0.09 0.05 0.00 -0.94 0.00 0.00 39.48 38.61 1xab n PHE 140 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xab n GLY 141 N 1.60 0.35 3.18 1.37 0.00 -0.20 -4.98 105.19 106.50 1xab n GLY 141 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1xab n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xab s GLU 142 N -2.97 1.58 0.61 1.61 0.41 -1.26 -4.37 118.70 114.31 1xab s GLU 142 Ca 0.76 -0.66 -0.13 0.00 -0.41 0.00 0.00 54.97 54.54 1xab s GLU 142 Cb -0.41 -1.49 -0.04 0.00 -1.78 0.00 0.00 34.13 30.41 1xab s GLU 142 CO 0.46 0.37 1.03 -1.25 -0.49 0.00 0.00 175.26 175.38 1xab s PRO 143 N -0.33 3.48 -0.06 0.39 0.04 -1.26 -4.83 135.00 132.43 1xab s PRO 143 Ca 0.05 0.89 -0.17 0.00 0.04 0.00 0.00 61.00 61.81 1xab s PRO 143 Cb -0.08 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.43 1xab s PRO 143 CO -0.00 -0.66 0.39 -0.98 0.04 0.00 0.00 177.00 175.78 1xab s ARG 144 N -4.80 0.66 -0.04 4.56 1.70 -1.26 -3.15 118.95 116.62 1xab s ARG 144 Ca 0.57 0.10 -0.18 0.00 -0.47 0.00 0.00 55.73 55.76 1xab s ARG 144 Cb -0.12 0.30 0.06 0.00 -0.57 0.00 0.00 34.95 34.62 1xab s ARG 144 CO 0.48 -0.16 0.80 0.41 -1.08 0.00 0.00 175.30 175.74 1xab n GLY 145 N 1.72 0.26 3.49 3.88 0.00 -0.18 -4.94 105.19 109.41 1xab n GLY 145 Ca -0.19 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 1xab n GLY 145 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xab s MET 146 N -2.00 0.77 0.00 1.61 0.00 -1.26 -1.60 119.30 116.81 1xab s MET 146 Ca 0.19 0.66 0.00 0.00 0.00 0.00 0.00 55.69 56.54 1xab s MET 146 Cb -0.00 0.37 0.00 0.00 0.00 0.00 0.00 34.83 35.20 1xab s MET 146 CO -0.01 -0.13 0.00 -1.13 0.00 0.00 0.00 175.02 173.74 1xab n SER 147 N 2.32 0.63 0.03 1.11 3.41 0.31 -4.99 113.62 116.44 1xab n SER 147 Ca -0.15 -0.88 -0.07 0.00 -0.26 0.00 0.00 58.87 57.52 1xab n SER 147 Cb 0.56 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.62 1xab n SER 147 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1xab h GLU 148 N 0.00 0.44 0.06 4.33 4.22 -2.06 -3.35 114.58 118.22 1xab h GLU 148 Ca 0.00 -0.26 -0.27 0.00 0.08 0.00 0.00 59.36 58.91 1xab h GLU 148 Cb 0.00 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1xab h GLU 148 CO 0.00 0.84 -1.41 0.00 -2.18 0.00 0.00 179.01 176.26 1xab h ALA 149 N 1.11 0.41 -2.99 2.92 0.00 -2.05 -3.49 119.26 115.18 1xab h ALA 149 Ca 0.01 -1.13 0.05 0.00 0.00 0.00 0.00 54.91 53.84 1xab h ALA 149 Cb 1.01 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1xab h ALA 149 CO 0.09 1.28 0.22 -1.83 0.00 0.00 0.00 179.25 179.00 1xab s GLU 150 N -2.64 1.84 0.02 0.00 -1.05 -1.26 -5.18 118.70 110.43 1xab s GLU 150 Ca -0.05 -1.06 0.00 0.00 -0.15 0.00 0.00 54.97 53.71 1xab s GLU 150 Cb 0.08 0.60 -0.02 0.00 -0.44 0.00 0.00 34.13 34.36 1xab s GLU 150 CO 0.84 -0.84 -0.03 0.00 0.95 0.00 0.00 175.26 176.17 1xab s ALA 151 N -3.72 0.16 0.01 -0.84 0.00 -1.26 -0.53 121.76 115.58 1xab s ALA 151 Ca 0.12 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 1xab s ALA 151 Cb -0.06 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 1xab s ALA 151 CO 0.08 -0.13 0.12 1.67 0.00 0.00 0.00 175.76 177.50 1xab s TRP 152 N -1.30 0.09 -0.09 0.00 -2.14 -0.63 -4.97 118.94 109.90 1xab s TRP 152 Ca -0.14 -0.25 -0.23 0.00 2.66 0.00 0.00 56.10 58.15 1xab s TRP 152 Cb -0.09 -0.07 0.05 0.00 -3.10 0.00 0.00 33.47 30.26 1xab s TRP 152 CO -0.01 -0.31 0.55 -0.80 -2.66 0.00 0.00 176.95 173.72 1xab s ASN 153 N -1.60 -0.52 -0.16 -2.66 0.02 -1.26 -1.01 114.94 107.75 1xab s ASN 153 Ca -0.12 0.69 0.02 0.00 -1.02 0.00 0.00 52.86 52.43 1xab s ASN 153 Cb -0.06 0.68 0.01 0.00 0.02 0.00 0.00 41.25 41.91 1xab s ASN 153 CO -0.00 -0.43 -0.20 -0.89 0.02 0.00 0.00 177.10 175.59 1xab s THR 154 N -0.74 2.16 -0.56 1.60 2.01 -1.19 -4.99 115.64 113.94 1xab s THR 154 Ca -0.08 -0.93 -0.22 0.00 0.31 0.00 0.00 61.69 60.77 1xab s THR 154 Cb -0.03 -1.89 0.06 0.00 0.01 0.00 0.00 72.50 70.65 1xab s THR 154 CO 0.05 0.54 0.82 -0.70 -0.69 0.00 0.00 174.62 174.65 1xab s GLU 155 N 1.02 3.20 -0.05 4.92 2.56 -1.26 -3.80 118.70 125.27 1xab s GLU 155 Ca -0.02 -0.66 0.03 0.00 0.00 0.00 0.00 54.97 54.32 1xab s GLU 155 Cb -0.15 -4.12 0.01 0.00 2.00 0.00 0.00 34.13 31.88 1xab s GLU 155 CO -0.06 -1.47 -0.13 0.50 -0.56 0.00 0.00 175.26 173.55 1xab s ARG 156 N 3.44 1.61 0.01 4.30 3.52 -1.26 -4.90 118.95 125.66 1xab s ARG 156 Ca 0.22 -0.44 0.01 0.00 -0.13 0.00 0.00 55.73 55.40 1xab s ARG 156 Cb -0.16 -1.36 -0.01 0.00 -1.56 0.00 0.00 34.95 31.86 1xab s ARG 156 CO 0.14 0.08 -0.05 0.71 -0.81 0.00 0.00 175.30 175.38 1xab s TYR 157 N 0.47 0.43 0.26 5.12 2.02 -1.26 -3.58 117.35 120.81 1xab s TYR 157 Ca -0.11 -0.16 0.06 0.00 -0.37 0.00 0.00 57.07 56.49 1xab s TYR 157 Cb -0.14 -0.28 -0.03 0.00 -0.40 0.00 0.00 41.96 41.12 1xab s TYR 157 CO 0.03 -0.03 0.30 -1.54 -1.57 0.00 0.00 175.55 172.74 1xab s SER 158 N -0.41 5.89 0.21 2.29 1.04 -1.26 -5.02 113.70 116.44 1xab s SER 158 Ca -0.01 -0.13 -0.09 0.00 0.48 0.00 0.00 55.95 56.21 1xab s SER 158 Cb -0.03 -1.55 0.30 0.00 0.10 0.00 0.00 66.02 64.84 1xab s SER 158 CO -0.00 -0.11 1.75 0.50 0.98 0.00 0.00 173.24 176.36 1xab h LYS 159 N 1.29 0.43 -0.79 4.02 3.64 -2.00 -2.62 116.57 120.54 1xab h LYS 159 Ca -0.49 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 58.92 1xab h LYS 159 Cb 1.24 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.90 1xab h LYS 159 CO 0.60 0.29 0.47 -1.35 -2.27 0.00 0.00 179.45 177.18 1xab h PRO 160 N 0.44 0.82 -0.90 1.90 0.11 -1.98 -1.49 132.00 130.91 1xab h PRO 160 Ca 0.32 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1xab h PRO 160 Cb 0.40 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.28 1xab h PRO 160 CO -0.31 0.54 0.56 0.93 -0.21 0.00 0.00 178.00 179.52 1xab h GLU 161 N 0.85 1.20 -0.02 1.05 5.08 -1.88 -1.03 114.58 119.84 1xab h GLU 161 Ca 0.35 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1xab h GLU 161 Cb 0.21 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1xab h GLU 161 CO -0.19 0.82 -0.08 0.28 -1.00 0.00 0.00 179.01 178.84 1xab h VAL 162 N 1.22 1.51 -0.12 3.13 2.07 -1.39 -3.09 116.25 119.59 1xab h VAL 162 Ca 0.32 -1.63 0.04 0.00 0.82 0.00 0.00 66.70 66.26 1xab h VAL 162 Cb -0.09 2.56 -0.06 0.00 -1.52 0.00 0.00 31.29 32.18 1xab h VAL 162 CO -0.06 0.44 -0.40 -0.33 0.02 0.00 0.00 177.57 177.23 1xab h GLU 163 N -0.55 -0.46 -0.67 1.57 5.08 -1.19 -0.04 114.58 118.32 1xab h GLU 163 Ca -0.01 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1xab h GLU 163 Cb 0.75 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.04 1xab h GLU 163 CO 0.02 -0.31 0.31 0.07 -1.00 0.00 0.00 179.01 178.10 1xab h ARG 164 N -0.48 0.52 0.00 2.33 0.11 -1.29 -1.33 114.38 114.24 1xab h ARG 164 Ca 0.08 -0.03 -0.12 0.00 0.10 0.00 0.00 59.98 60.01 1xab h ARG 164 Cb 0.61 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 31.56 1xab h ARG 164 CO -0.38 0.34 -0.55 -0.24 0.10 0.00 0.00 179.97 179.24 1xab h VAL 165 N 0.54 1.33 -0.22 0.08 3.04 -1.41 -2.79 116.25 116.82 1xab h VAL 165 Ca 0.33 -1.94 -0.04 0.00 -1.01 0.00 0.00 66.70 64.05 1xab h VAL 165 Cb 0.36 2.06 -0.01 0.00 -2.01 0.00 0.00 31.29 31.69 1xab h VAL 165 CO -0.27 0.54 -0.00 0.00 -1.01 0.00 0.00 177.57 176.83 1xab h ALA 166 N 1.45 0.29 -0.54 3.17 0.00 -0.40 -2.13 119.26 121.10 1xab h ALA 166 Ca -0.01 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1xab h ALA 166 Cb 1.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1xab h ALA 166 CO 0.07 0.02 0.36 0.00 0.00 0.00 0.00 179.25 179.70 1xab h ARG 167 N 0.15 0.53 0.00 0.00 3.08 -1.16 -0.25 114.38 116.73 1xab h ARG 167 Ca 0.06 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 1xab h ARG 167 Cb 0.41 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1xab h ARG 167 CO 0.01 0.35 -0.63 -0.39 -1.07 0.00 0.00 179.97 178.24 1xab h VAL 168 N 0.55 1.35 0.08 2.04 -1.51 -1.13 -0.98 116.25 116.65 1xab h VAL 168 Ca 0.23 -2.25 -0.00 0.00 -1.23 0.00 0.00 66.70 63.44 1xab h VAL 168 Cb 0.21 2.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1xab h VAL 168 CO -0.06 0.62 -0.04 0.00 -1.23 0.00 0.00 177.57 176.86 1xab h ALA 169 N 1.37 -0.11 -0.58 5.19 0.00 -0.60 -0.14 119.26 124.39 1xab h ALA 169 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xab h ALA 169 Cb 1.20 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1xab h ALA 169 CO 0.08 -0.52 0.38 0.74 0.00 0.00 0.00 179.25 179.93 1xab h PHE 170 N -0.19 0.74 -0.61 0.00 0.04 -0.92 -0.26 116.94 115.74 1xab h PHE 170 Ca -0.01 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1xab h PHE 170 Cb 0.16 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 1xab h PHE 170 CO -0.05 0.47 0.05 0.93 -0.60 0.00 0.00 178.31 179.12 1xab h GLU 171 N 0.79 1.03 -0.44 1.51 4.39 -1.10 -2.29 114.58 118.47 1xab h GLU 171 Ca 0.21 -0.29 -0.12 0.00 0.34 0.00 0.00 59.36 59.50 1xab h GLU 171 Cb -0.08 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1xab h GLU 171 CO -0.04 0.97 -0.21 0.00 -1.16 0.00 0.00 179.01 178.57 1xab h ALA 172 N 1.09 0.79 -0.72 3.43 0.00 -0.23 -2.63 119.26 120.98 1xab h ALA 172 Ca 0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1xab h ALA 172 Cb 0.48 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1xab h ALA 172 CO 0.02 0.66 0.43 0.00 0.00 0.00 0.00 179.25 180.35 1xab h ALA 173 N 0.98 1.39 -0.54 0.00 0.00 -0.87 -1.36 119.26 118.86 1xab h ALA 173 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xab h ALA 173 Cb 0.76 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1xab h ALA 173 CO 0.06 0.52 0.35 0.00 0.00 0.00 0.00 179.25 180.18 1xab h ARG 174 N 1.00 0.71 -0.06 0.00 3.08 -1.04 0.44 114.38 118.52 1xab h ARG 174 Ca 0.26 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1xab h ARG 174 Cb -0.03 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.86 1xab h ARG 174 CO -0.05 0.48 0.00 1.63 -1.07 0.00 0.00 179.97 180.96 1xab n LYS 175 N -4.45 1.30 0.00 0.04 5.02 -0.52 -4.75 118.16 114.80 1xab n LYS 175 Ca 0.05 -0.45 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 1xab n LYS 175 Cb 0.05 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1xab n LYS 175 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xab n ARG 176 N -0.36 0.00 -0.39 1.97 1.74 -0.45 -5.03 116.66 114.14 1xab n ARG 176 Ca 0.16 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.31 1xab n ARG 176 Cb 0.18 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 31.82 1xab n ARG 176 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1xab n ARG 177 N 0.00 1.93 -3.45 5.56 1.74 -1.13 -5.02 116.66 116.30 1xab n ARG 177 Ca 0.00 -2.87 -0.24 0.00 -0.77 0.00 0.00 57.85 53.97 1xab n ARG 177 Cb 0.00 -1.68 0.07 0.00 -1.02 0.00 0.00 32.46 29.82 1xab n ARG 177 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xab n LYS 178 N -1.05 -7.12 -3.77 5.56 4.76 0.02 -5.00 118.16 111.56 1xab n LYS 178 Ca 0.21 0.85 -0.13 0.00 -2.87 0.00 0.00 58.31 56.37 1xab n LYS 178 Cb 0.80 -5.85 -0.13 0.00 -1.84 0.00 0.00 35.03 28.01 1xab n LYS 178 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1xab s HIS 179 N -3.28 -0.22 -0.02 2.13 3.76 -1.26 -1.69 115.29 114.69 1xab s HIS 179 Ca 0.52 0.57 0.04 0.00 -0.15 0.00 0.00 55.06 56.03 1xab s HIS 179 Cb -0.23 0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.48 1xab s HIS 179 CO 0.64 -0.15 -0.13 0.08 -0.85 0.00 0.00 174.74 174.32 1xab s VAL 180 N 0.73 1.10 -0.21 -0.90 1.01 -0.31 -1.97 120.40 119.84 1xab s VAL 180 Ca -0.05 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 1xab s VAL 180 Cb -0.07 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1xab s VAL 180 CO -0.04 0.32 -0.05 -0.69 0.00 0.00 0.00 175.10 174.64 1xab s VAL 181 N -0.10 3.33 -0.06 2.92 1.01 0.03 -1.69 120.40 125.85 1xab s VAL 181 Ca 0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 1xab s VAL 181 Cb -0.08 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1xab s VAL 181 CO 0.00 0.44 0.25 -0.55 0.00 0.00 0.00 175.10 175.23 1xab s SER 182 N 1.36 6.54 -0.07 3.32 0.15 -0.66 -1.01 113.70 123.34 1xab s SER 182 Ca 0.04 0.64 0.04 0.00 0.70 0.00 0.00 55.95 57.38 1xab s SER 182 Cb -0.14 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 62.02 1xab s SER 182 CO -0.03 0.36 -0.20 -0.69 1.20 0.00 0.00 173.24 173.88 1xab s VAL 183 N -1.08 2.48 0.37 4.45 1.01 -0.47 -1.51 120.40 125.63 1xab s VAL 183 Ca 0.20 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 1xab s VAL 183 Cb -0.14 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1xab s VAL 183 CO 0.09 0.57 0.57 -0.90 0.00 0.00 0.00 175.10 175.42 1xab n ASP 184 N 2.95 -1.60 -2.62 3.32 5.68 -0.23 -4.50 116.55 119.55 1xab n ASP 184 Ca -0.18 -2.84 -0.30 0.00 -0.50 0.00 0.00 54.79 50.98 1xab n ASP 184 Cb 0.52 2.88 0.01 0.00 -1.14 0.00 0.00 41.12 43.39 1xab n ASP 184 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1xab n LYS 185 N -0.57 3.31 0.32 0.11 3.00 -1.26 -1.02 118.16 122.05 1xab n LYS 185 Ca -0.02 -4.33 0.20 0.00 -0.00 0.00 0.00 58.31 54.16 1xab n LYS 185 Cb 0.59 -2.26 1.09 0.00 0.00 0.00 0.00 35.03 34.46 1xab n LYS 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xab h ALA 186 N 2.72 1.23 0.00 3.14 0.00 -1.76 0.16 119.26 124.75 1xab h ALA 186 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1xab h ALA 186 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1xab h ALA 186 CO 0.97 -0.03 -0.12 0.27 0.00 0.00 0.00 179.25 180.34 1xab n ASN 187 N -3.35 0.73 0.00 0.00 6.94 -1.26 -4.20 115.26 114.12 1xab n ASN 187 Ca -0.03 0.47 0.00 0.00 -0.02 0.00 0.00 54.58 55.01 1xab n ASN 187 Cb 0.10 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 36.94 1xab n ASN 187 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1xab n VAL 188 N -2.17 0.00 -4.94 3.53 0.31 -0.77 -5.08 118.33 109.21 1xab n VAL 188 Ca 0.05 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.06 1xab n VAL 188 Cb 0.42 -0.34 -0.14 0.00 -0.91 0.00 0.00 33.84 32.88 1xab n VAL 188 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1xab s LEU 189 N -2.82 2.62 0.23 7.52 1.43 0.50 -5.01 118.68 123.15 1xab s LEU 189 Ca 0.00 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 1xab s LEU 189 Cb 0.00 -1.53 0.22 0.00 0.03 0.00 0.00 46.19 44.91 1xab s LEU 189 CO 0.00 0.31 1.89 -0.33 0.23 0.00 0.00 176.35 178.45 1xab h GLU 190 N 5.61 1.22 -0.60 1.70 3.07 -1.89 -0.43 114.58 123.26 1xab h GLU 190 Ca -0.42 -0.09 0.06 0.00 -0.50 0.00 0.00 59.36 58.41 1xab h GLU 190 Cb 1.16 -0.26 -0.05 0.00 -0.84 0.00 0.00 28.75 28.75 1xab h GLU 190 CO 0.50 0.83 0.30 0.28 -1.40 0.00 0.00 179.01 179.53 1xab h VAL 191 N 1.24 0.92 0.14 3.13 2.07 -1.92 -0.05 116.25 121.78 1xab h VAL 191 Ca 0.33 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 1xab h VAL 191 Cb -0.10 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1xab h VAL 191 CO -0.07 0.10 -0.10 1.23 0.02 0.00 0.00 177.57 178.75 1xab h GLY 192 N 0.56 -0.24 0.98 2.17 0.00 -1.34 0.11 103.07 105.31 1xab h GLY 192 Ca 0.28 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 1xab h GLY 192 CO -0.20 -0.11 0.21 -2.09 0.00 0.00 0.00 176.54 174.35 1xab h GLU 193 N -0.25 0.49 0.09 4.80 4.81 -1.02 0.17 114.58 123.67 1xab h GLU 193 Ca -0.00 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1xab h GLU 193 Cb 0.22 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1xab h GLU 193 CO -0.01 0.38 -0.04 0.35 -0.73 0.00 0.00 179.01 178.96 1xab h PHE 194 N 0.47 -0.11 -0.40 0.92 3.57 -0.88 -1.37 116.94 119.13 1xab h PHE 194 Ca 0.13 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.71 1xab h PHE 194 Cb 0.02 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.70 1xab h PHE 194 CO -0.04 0.16 -0.26 2.35 -2.23 0.00 0.00 178.31 178.29 1xab h TRP 195 N -0.38 -0.69 -0.13 0.41 2.91 -0.67 -1.04 115.95 116.36 1xab h TRP 195 Ca -0.01 0.05 0.02 0.00 1.13 0.00 0.00 58.89 60.08 1xab h TRP 195 Cb 0.32 0.37 -0.02 0.00 -0.51 0.00 0.00 29.16 29.32 1xab h TRP 195 CO 0.01 -0.33 0.01 -0.09 -1.03 0.00 0.00 178.44 177.00 1xab h ARG 196 N -0.19 0.05 0.00 2.65 2.43 -0.67 -1.10 114.38 117.55 1xab h ARG 196 Ca 0.19 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.23 1xab h ARG 196 Cb 0.49 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1xab h ARG 196 CO -0.52 0.04 -0.60 1.57 -1.51 0.00 0.00 179.97 178.95 1xab h LYS 197 N 0.06 0.00 -0.46 0.20 2.10 -0.93 -1.43 116.57 116.11 1xab h LYS 197 Ca 0.06 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.59 1xab h LYS 197 Cb 0.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 1xab h LYS 197 CO -0.10 0.60 -0.20 1.15 -2.00 0.00 0.00 179.45 178.91 1xab h THR 198 N 0.00 1.27 -0.14 0.07 2.02 -0.75 -0.86 112.91 114.52 1xab h THR 198 Ca -0.01 -1.34 -0.16 0.00 0.77 0.00 0.00 66.41 65.68 1xab h THR 198 Cb 1.07 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1xab h THR 198 CO 0.08 0.46 -0.58 0.58 0.37 0.00 0.00 175.52 176.43 1xab h VAL 199 N 0.80 1.34 -0.47 3.16 2.07 -0.54 -1.14 116.25 121.47 1xab h VAL 199 Ca 0.11 -1.87 -0.09 0.00 0.82 0.00 0.00 66.70 65.67 1xab h VAL 199 Cb 0.75 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1xab h VAL 199 CO 0.06 0.57 -0.06 -0.08 0.02 0.00 0.00 177.57 178.08 1xab h GLU 200 N 0.34 0.87 -0.63 1.57 4.57 -1.24 0.46 114.58 120.52 1xab h GLU 200 Ca 0.00 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 1xab h GLU 200 Cb 1.11 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.61 1xab h GLU 200 CO 0.10 0.94 0.33 1.49 -1.18 0.00 0.00 179.01 180.69 1xab h GLU 201 N 0.71 0.88 -0.48 1.92 4.81 -0.77 -2.30 114.58 119.36 1xab h GLU 201 Ca 0.13 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1xab h GLU 201 Cb 0.59 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1xab h GLU 201 CO 0.04 0.68 -0.02 0.28 -0.73 0.00 0.00 179.01 179.26 1xab h VAL 202 N 0.86 1.25 -0.63 0.32 2.07 -0.97 -2.80 116.25 116.35 1xab h VAL 202 Ca 0.22 -1.04 0.18 0.00 0.82 0.00 0.00 66.70 66.88 1xab h VAL 202 Cb 0.07 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1xab h VAL 202 CO -0.03 0.37 0.53 1.23 0.02 0.00 0.00 177.57 179.68 1xab h GLY 203 N 0.98 0.00 1.69 2.17 0.00 0.51 -1.45 103.07 106.97 1xab h GLY 203 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1xab h GLY 203 CO 0.02 0.00 0.18 3.21 0.00 0.00 0.00 176.54 179.95 1xab h ARG 204 N 0.00 0.41 0.00 4.80 3.08 -1.47 -0.67 114.38 120.52 1xab h ARG 204 Ca 0.30 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1xab h ARG 204 Cb 1.35 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1xab h ARG 204 CO -0.00 0.29 0.00 0.41 -1.07 0.00 0.00 179.97 179.60 1xab n GLY 205 N -1.43 -0.84 2.35 0.04 0.00 -0.55 -3.98 105.19 100.78 1xab n GLY 205 Ca 0.02 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 1xab n GLY 205 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xab n TYR 206 N -0.92 1.63 0.28 1.61 4.02 -0.26 -4.94 117.16 118.59 1xab n TYR 206 Ca 0.17 -3.86 0.14 0.00 -0.01 0.00 0.00 57.90 54.34 1xab n TYR 206 Cb 0.08 -0.45 0.84 0.00 -0.02 0.00 0.00 39.34 39.79 1xab n TYR 206 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1xab h PRO 207 N 3.85 0.00 -0.10 -0.72 0.13 -1.73 -1.25 132.00 132.18 1xab h PRO 207 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1xab h PRO 207 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1xab h PRO 207 CO 0.64 0.05 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 1xab n ASP 208 N -3.74 0.79 -3.97 1.44 5.75 -1.26 -4.79 116.55 110.76 1xab n ASP 208 Ca -0.02 -1.71 -0.20 0.00 -0.01 0.00 0.00 54.79 52.85 1xab n ASP 208 Cb 0.15 -0.07 -0.16 0.00 -1.03 0.00 0.00 41.12 40.01 1xab n ASP 208 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xab s VAL 209 N -1.86 0.72 0.26 2.12 1.01 -0.47 -4.87 120.40 117.30 1xab s VAL 209 Ca 0.23 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.73 1xab s VAL 209 Cb 0.12 -0.67 -0.09 0.00 0.00 0.00 0.00 36.38 35.75 1xab s VAL 209 CO 0.18 0.24 0.73 0.00 0.00 0.00 0.00 175.10 176.25 1xab s ALA 210 N 0.39 3.38 -0.03 5.51 0.00 -0.68 -4.93 121.76 125.39 1xab s ALA 210 Ca -0.06 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1xab s ALA 210 Cb -0.10 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.22 1xab s ALA 210 CO 0.01 0.33 -0.06 -1.17 0.00 0.00 0.00 175.76 174.86 1xab s LEU 211 N -2.33 1.64 0.28 0.00 2.96 -1.26 -1.16 118.68 118.81 1xab s LEU 211 Ca 0.47 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 1xab s LEU 211 Cb -0.14 -0.46 -0.05 0.00 0.50 0.00 0.00 46.19 46.04 1xab s LEU 211 CO 0.20 0.02 0.12 -1.83 -1.32 0.00 0.00 176.35 173.53 1xab s GLU 212 N 0.43 1.48 0.05 1.98 -1.05 -0.68 -4.99 118.70 115.91 1xab s GLU 212 Ca -0.06 -1.82 0.04 0.00 -0.15 0.00 0.00 54.97 52.98 1xab s GLU 212 Cb -0.10 -0.19 -0.02 0.00 -0.44 0.00 0.00 34.13 33.37 1xab s GLU 212 CO 0.00 -0.36 -0.11 -1.01 0.95 0.00 0.00 175.26 174.74 1xab s HIS 213 N -3.71 0.95 0.01 4.83 3.76 -1.26 -1.65 115.29 118.23 1xab s HIS 213 Ca 0.37 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 54.87 1xab s HIS 213 Cb 0.07 -0.56 -0.01 0.00 1.11 0.00 0.00 32.58 33.19 1xab s HIS 213 CO 0.15 -0.00 -0.03 -0.65 -0.85 0.00 0.00 174.74 173.35 1xab s GLN 214 N -1.39 0.27 0.36 1.40 -1.52 -0.57 -4.94 119.66 113.27 1xab s GLN 214 Ca -0.04 -0.34 -0.22 0.00 -1.95 0.00 0.00 55.36 52.80 1xab s GLN 214 Cb -0.09 -0.10 -0.10 0.00 -0.22 0.00 0.00 33.01 32.50 1xab s GLN 214 CO 0.01 0.02 0.91 0.71 -0.25 0.00 0.00 175.29 176.69 1xab s TYR 215 N -0.68 3.50 0.25 0.91 2.02 -1.26 -1.07 117.35 121.02 1xab s TYR 215 Ca -0.06 1.63 -0.05 0.00 -0.37 0.00 0.00 57.07 58.22 1xab s TYR 215 Cb -0.05 -2.83 0.31 0.00 -0.40 0.00 0.00 41.96 38.98 1xab s TYR 215 CO -0.00 0.07 1.91 -0.24 -1.57 0.00 0.00 175.55 175.72 1xab h VAL 216 N 2.27 1.18 -0.34 0.71 3.04 -1.42 0.49 116.25 122.18 1xab h VAL 216 Ca -0.48 -0.43 -0.11 0.00 -1.01 0.00 0.00 66.70 64.67 1xab h VAL 216 Cb 1.19 -0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 1xab h VAL 216 CO 0.63 0.23 -0.24 -2.24 -1.01 0.00 0.00 177.57 174.94 1xab h ASP 217 N 1.26 0.69 0.21 3.17 2.03 -1.93 0.69 116.42 122.54 1xab h ASP 217 Ca 0.39 -0.25 -0.15 0.00 -0.73 0.00 0.00 57.03 56.28 1xab h ASP 217 Cb -0.03 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.28 1xab h ASP 217 CO -0.12 0.92 -0.57 0.00 -1.03 0.00 0.00 179.24 178.44 1xab h ALA 218 N 1.14 0.80 -0.47 4.15 0.00 -1.76 -3.11 119.26 119.99 1xab h ALA 218 Ca 0.08 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1xab h ALA 218 Cb 0.73 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1xab h ALA 218 CO 0.06 0.70 -0.14 1.98 0.00 0.00 0.00 179.25 181.85 1xab h MET 219 N 0.28 0.90 -0.91 0.00 -1.53 0.06 -1.36 114.93 112.37 1xab h MET 219 Ca 0.00 -0.33 0.02 0.00 -3.44 0.00 0.00 59.70 55.95 1xab h MET 219 Cb 1.09 -0.06 -0.05 0.00 -0.55 0.00 0.00 31.60 32.03 1xab h MET 219 CO 0.10 0.98 0.60 0.00 0.14 0.00 0.00 176.91 178.72 1xab h ALA 220 N 1.03 1.18 -0.68 0.39 0.00 -0.88 -1.30 119.26 119.02 1xab h ALA 220 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xab h ALA 220 Cb 0.67 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1xab h ALA 220 CO 0.05 0.50 0.37 0.52 0.00 0.00 0.00 179.25 180.69 1xab h MET 221 N 1.19 0.95 -0.02 0.00 2.86 -1.43 -2.80 114.93 115.67 1xab h MET 221 Ca 0.35 -0.11 -0.14 0.00 -2.06 0.00 0.00 59.70 57.74 1xab h MET 221 Cb -0.06 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 1xab h MET 221 CO -0.10 0.71 -0.62 0.45 1.06 0.00 0.00 176.91 178.41 1xab h HIS 222 N 0.93 0.09 0.00 -0.22 3.86 -0.69 -2.14 115.15 116.97 1xab h HIS 222 Ca 0.24 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1xab h HIS 222 Cb 0.04 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1xab h HIS 222 CO -0.01 0.67 0.00 -0.07 0.86 0.00 0.00 177.93 179.39 1xab h LEU 223 N 0.05 0.00 0.03 2.43 3.38 -0.98 0.11 115.31 120.33 1xab h LEU 223 Ca -0.01 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.58 1xab h LEU 223 Cb 1.11 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 1xab h LEU 223 CO 0.09 0.00 -2.32 0.52 0.09 0.00 0.00 178.44 176.82 1xab n VAL 224 N -2.60 1.56 0.11 1.22 0.31 -1.15 -4.19 118.33 113.60 1xab n VAL 224 Ca -0.00 -0.63 -0.21 0.00 -0.01 0.00 0.00 64.34 63.49 1xab n VAL 224 Cb 0.17 -1.40 -0.15 0.00 -0.91 0.00 0.00 33.84 31.54 1xab n VAL 224 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1xab h ARG 225 N 0.02 0.42 -1.30 5.55 3.08 -0.93 -3.42 114.38 117.80 1xab h ARG 225 Ca -0.52 -0.71 -0.39 0.00 0.07 0.00 0.00 59.98 58.42 1xab h ARG 225 Cb 1.97 0.26 -0.32 0.00 0.08 0.00 0.00 29.97 31.96 1xab h ARG 225 CO -0.03 1.33 -0.96 -1.13 -1.07 0.00 0.00 179.97 178.11 1xab n SER 226 N -3.62 -0.07 0.29 7.04 3.41 0.34 -4.98 113.62 116.03 1xab n SER 226 Ca -0.16 -3.15 0.19 0.00 -0.26 0.00 0.00 58.87 55.49 1xab n SER 226 Cb 1.07 0.14 0.90 0.00 -0.26 0.00 0.00 64.21 66.06 1xab n SER 226 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1xab h PRO 227 N 2.96 0.00 0.00 4.33 0.13 -1.68 -1.36 132.00 136.38 1xab h PRO 227 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1xab h PRO 227 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1xab h PRO 227 CO 0.38 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.15 1xab h ALA 228 N 2.01 1.00 0.00 -0.56 0.00 -1.87 -2.75 119.26 117.10 1xab h ALA 228 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xab h ALA 228 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xab h ALA 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1xab n ARG 229 N -2.83 0.01 -4.71 0.00 1.74 -0.51 -4.80 116.66 105.55 1xab n ARG 229 Ca -0.00 0.33 -0.32 0.00 -0.77 0.00 0.00 57.85 57.09 1xab n ARG 229 Cb 0.19 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.00 1xab n ARG 229 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1xab s PHE 230 N -2.97 2.65 0.00 -1.55 0.08 -1.04 -5.07 117.98 110.08 1xab s PHE 230 Ca 0.05 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 56.90 1xab s PHE 230 Cb 0.06 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 40.98 1xab s PHE 230 CO 0.17 0.25 0.00 -3.47 -0.10 0.00 0.00 175.22 172.06 1xab n ASP 231 N 1.78 0.00 -4.71 1.36 2.03 -1.26 -4.46 116.55 111.28 1xab n ASP 231 Ca -0.16 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.82 1xab n ASP 231 Cb 0.52 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.84 1xab n ASP 231 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1xab s VAL 232 N 0.00 4.32 -0.13 5.18 1.01 -0.83 -1.30 120.40 128.64 1xab s VAL 232 Ca 0.00 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1xab s VAL 232 Cb 0.00 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.44 1xab s VAL 232 CO 0.00 0.34 -0.19 -0.69 0.00 0.00 0.00 175.10 174.56 1xab s VAL 233 N -1.15 1.84 0.01 2.92 1.01 0.08 -0.79 120.40 124.32 1xab s VAL 233 Ca 0.21 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.43 1xab s VAL 233 Cb -0.12 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1xab s VAL 233 CO 0.12 0.51 -0.23 0.54 0.00 0.00 0.00 175.10 176.04 1xab s VAL 234 N 0.92 1.80 0.38 2.92 0.11 -0.18 -0.30 120.40 126.04 1xab s VAL 234 Ca -0.06 -1.09 -0.14 0.00 -2.93 0.00 0.00 61.98 57.76 1xab s VAL 234 Cb -0.15 -1.52 0.05 0.00 -1.53 0.00 0.00 36.38 33.23 1xab s VAL 234 CO -0.02 0.40 0.74 0.28 -3.33 0.00 0.00 175.10 173.16 1xab s THR 235 N -0.65 0.00 0.74 5.04 -1.32 -0.89 -1.37 115.64 117.20 1xab s THR 235 Ca 0.09 -1.09 -0.12 0.00 -1.21 0.00 0.00 61.69 59.36 1xab s THR 235 Cb -0.09 -2.82 0.19 0.00 -1.51 0.00 0.00 72.50 68.27 1xab s THR 235 CO 0.00 0.00 0.56 0.61 -2.21 0.00 0.00 174.62 173.59 1xab n GLY 236 N -0.53 -3.12 0.23 6.08 0.00 -1.26 -2.51 105.19 104.08 1xab n GLY 236 Ca -0.07 -1.39 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 1xab n GLY 236 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1xab h ASN 237 N -2.35 -0.42 -0.23 1.61 -0.73 -1.83 0.33 115.58 111.95 1xab h ASN 237 Ca -0.23 -0.10 -0.15 0.00 1.87 0.00 0.00 56.30 57.70 1xab h ASN 237 Cb 0.72 0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.41 1xab h ASN 237 CO 0.14 0.03 -0.39 -0.29 -0.37 0.00 0.00 177.43 176.55 1xab h ILE 238 N -1.04 1.28 -0.11 2.57 2.10 -1.89 0.12 117.51 120.55 1xab h ILE 238 Ca -0.05 -1.56 -0.10 0.00 1.08 0.00 0.00 64.86 64.22 1xab h ILE 238 Cb 0.49 1.45 -0.01 0.00 -1.09 0.00 0.00 36.82 37.66 1xab h ILE 238 CO 0.08 0.51 -0.40 -0.26 -1.08 0.00 0.00 178.15 177.00 1xab h PHE 239 N 0.63 0.27 -0.27 2.19 0.04 -1.95 -0.09 116.94 117.78 1xab h PHE 239 Ca 0.05 -0.07 -0.10 0.00 2.80 0.00 0.00 57.97 60.66 1xab h PHE 239 Cb 0.94 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.02 1xab h PHE 239 CO 0.05 0.60 -0.24 0.78 -0.60 0.00 0.00 178.31 178.90 1xab h GLY 240 N 1.20 0.55 0.73 -1.45 0.00 0.42 0.18 103.07 104.70 1xab h GLY 240 Ca 0.02 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 1xab h GLY 240 CO 0.06 0.41 -0.11 -1.80 0.00 0.00 0.00 176.54 175.11 1xab h ASP 241 N 0.45 0.33 -0.27 0.19 3.58 -0.11 0.15 116.42 120.74 1xab h ASP 241 Ca 0.07 -0.45 -0.01 0.00 0.42 0.00 0.00 57.03 57.06 1xab h ASP 241 Cb 0.66 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1xab h ASP 241 CO 0.05 0.72 0.14 0.40 -2.88 0.00 0.00 179.24 177.66 1xab h ILE 242 N -0.04 1.14 0.00 2.25 2.04 -0.78 -2.43 117.51 119.69 1xab h ILE 242 Ca 0.03 -0.40 -0.10 0.00 1.00 0.00 0.00 64.86 65.39 1xab h ILE 242 Cb 0.61 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1xab h ILE 242 CO 0.03 0.14 -0.48 -0.07 0.00 0.00 0.00 178.15 177.77 1xab h LEU 243 N 0.32 0.00 -0.22 1.44 3.38 -0.64 -0.42 115.31 119.16 1xab h LEU 243 Ca 0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 1xab h LEU 243 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1xab h LEU 243 CO -0.01 0.48 -0.47 0.28 0.09 0.00 0.00 178.44 178.81 1xab h SER 244 N 0.00 0.79 -0.29 -0.43 0.02 -0.71 -1.82 113.55 111.11 1xab h SER 244 Ca -0.00 -0.55 -0.12 0.00 -0.84 0.00 0.00 61.79 60.27 1xab h SER 244 Cb 1.15 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1xab h SER 244 CO 0.06 1.20 -0.24 0.44 -1.14 0.00 0.00 176.83 177.15 1xab h ASP 245 N 0.42 0.79 0.37 3.07 5.19 -1.21 -0.49 116.42 124.57 1xab h ASP 245 Ca 0.00 -0.29 -0.01 0.00 -0.62 0.00 0.00 57.03 56.11 1xab h ASP 245 Cb 1.07 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 1xab h ASP 245 CO 0.10 1.00 -0.26 0.25 -3.12 0.00 0.00 179.24 177.21 1xab h LEU 246 N 0.67 -0.66 -1.74 1.55 6.46 -1.05 -2.54 115.31 118.00 1xab h LEU 246 Ca 0.09 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1xab h LEU 246 Cb 0.75 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.88 1xab h LEU 246 CO 0.06 -0.40 -0.04 0.00 -0.62 0.00 0.00 178.44 177.44 1xab h ALA 247 N -0.05 1.79 0.00 1.25 0.00 -1.26 -2.85 119.26 118.13 1xab h ALA 247 Ca -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xab h ALA 247 Cb 0.53 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xab h ALA 247 CO 0.02 0.16 -0.03 0.66 0.00 0.00 0.00 179.25 180.05 1xab h SER 248 N 0.11 0.00 0.61 0.00 4.64 -0.63 -1.80 113.55 116.48 1xab h SER 248 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1xab h SER 248 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1xab h SER 248 CO 0.01 0.03 -0.51 1.33 -0.87 0.00 0.00 176.83 176.82 1xab n VAL 249 N -3.80 0.08 -0.29 0.95 0.24 -1.08 -4.29 118.33 110.14 1xab n VAL 249 Ca -0.03 -0.06 -0.05 0.00 -2.04 0.00 0.00 64.34 62.15 1xab n VAL 249 Cb 0.12 0.12 0.07 0.00 -1.47 0.00 0.00 33.84 32.68 1xab n VAL 249 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1xab h LEU 250 N 0.00 1.08 -1.25 1.34 4.07 -1.44 -1.30 115.31 117.81 1xab h LEU 250 Ca 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.80 1xab h LEU 250 Cb 0.56 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1xab h LEU 250 CO 0.00 0.94 0.00 -0.65 -1.08 0.00 0.00 178.44 177.65 1xab h PRO 251 N 1.15 0.00 -3.93 1.13 0.11 -1.77 -3.37 132.00 125.31 1xab h PRO 251 Ca 0.27 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 66.07 1xab h PRO 251 Cb 0.17 0.00 0.07 0.00 0.11 0.00 0.00 31.00 31.35 1xab h PRO 251 CO -0.03 0.00 -0.49 0.41 -0.21 0.00 0.00 178.00 177.68 1xab n GLY 252 N -0.47 -0.24 2.72 -0.55 0.00 -0.49 -3.26 105.19 102.90 1xab n GLY 252 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 1xab n GLY 252 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xab n SER 253 N -1.70 -2.50 0.08 1.61 2.88 -1.26 -4.69 113.62 108.04 1xab n SER 253 Ca -0.06 -2.48 0.21 0.00 -1.33 0.00 0.00 58.87 55.21 1xab n SER 253 Cb 0.58 1.40 0.73 0.00 -0.75 0.00 0.00 64.21 66.17 1xab n SER 253 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1xab h LEU 254 N 4.15 0.00 -0.01 2.46 4.07 -1.92 -1.34 115.31 122.72 1xab h LEU 254 Ca -0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1xab h LEU 254 Cb 1.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.85 1xab h LEU 254 CO 0.06 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.03 1xab n GLY 255 N -1.49 -1.38 0.08 0.83 0.00 -1.26 -3.16 105.19 98.81 1xab n GLY 255 Ca 0.08 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1xab n GLY 255 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xab n LEU 256 N -1.54 0.74 -4.68 0.99 4.77 -0.51 -3.88 117.00 112.88 1xab n LEU 256 Ca 0.06 0.35 -0.42 0.00 -0.03 0.00 0.00 56.01 55.97 1xab n LEU 256 Cb 0.30 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1xab n LEU 256 CO 0.24 -0.10 0.75 -0.76 -1.33 0.00 0.00 177.39 176.19 1xab s LEU 257 N -4.31 4.22 0.57 2.23 1.43 -1.19 -3.61 118.68 118.02 1xab s LEU 257 Ca 0.08 1.44 -0.05 0.00 -1.03 0.00 0.00 54.13 54.56 1xab s LEU 257 Cb 0.13 -3.47 0.01 0.00 0.03 0.00 0.00 46.19 42.88 1xab s LEU 257 CO 0.68 -0.44 0.87 -2.16 0.23 0.00 0.00 176.35 175.52 1xab s PRO 258 N 2.09 2.94 0.04 1.29 0.04 -1.26 -0.79 135.00 139.35 1xab s PRO 258 Ca 0.46 -0.07 -0.07 0.00 0.04 0.00 0.00 61.00 61.35 1xab s PRO 258 Cb -0.18 -2.31 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 1xab s PRO 258 CO 0.16 -0.64 0.14 0.45 0.04 0.00 0.00 177.00 177.14 1xab s SER 259 N -4.29 0.12 0.01 6.66 0.15 0.14 -4.34 113.70 112.14 1xab s SER 259 Ca 0.53 -0.48 -0.06 0.00 0.70 0.00 0.00 55.95 56.64 1xab s SER 259 Cb -0.10 0.26 -0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1xab s SER 259 CO 0.44 -0.54 0.10 0.00 1.20 0.00 0.00 173.24 174.44 1xab s ALA 260 N -2.67 -0.22 -0.09 5.45 0.00 -0.44 -1.65 121.76 122.13 1xab s ALA 260 Ca -0.04 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.70 1xab s ALA 260 Cb -0.01 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1xab s ALA 260 CO -0.05 -0.19 -0.12 -1.12 0.00 0.00 0.00 175.76 174.28 1xab s SER 261 N -1.37 2.04 0.11 0.00 0.01 0.17 -0.75 113.70 113.91 1xab s SER 261 Ca -0.15 -0.33 0.08 0.00 1.31 0.00 0.00 55.95 56.87 1xab s SER 261 Cb -0.08 -0.89 -0.04 0.00 0.21 0.00 0.00 66.02 65.22 1xab s SER 261 CO 0.01 -0.02 -0.21 -0.76 0.41 0.00 0.00 173.24 172.67 1xab s LEU 262 N 1.05 2.31 0.00 2.44 1.02 0.13 -1.63 118.68 124.00 1xab s LEU 262 Ca -0.07 -0.71 0.00 0.00 0.02 0.00 0.00 54.13 53.37 1xab s LEU 262 Cb -0.15 -0.90 0.00 0.00 0.02 0.00 0.00 46.19 45.17 1xab s LEU 262 CO -0.01 0.06 0.00 0.61 0.02 0.00 0.00 176.35 177.02 1xab n GLY 263 N 1.00 1.71 0.13 -3.19 0.00 -1.26 -0.56 105.19 103.02 1xab n GLY 263 Ca -0.19 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 1xab n GLY 263 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xab h ARG 264 N 0.00 0.34 0.00 1.61 3.08 -1.44 -3.48 114.38 114.49 1xab h ARG 264 Ca 0.00 -0.58 0.00 0.00 0.07 0.00 0.00 59.98 59.47 1xab h ARG 264 Cb 0.00 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1xab h ARG 264 CO 0.00 1.28 0.00 0.41 -1.07 0.00 0.00 179.97 180.59 1xab n GLY 265 N 1.71 -0.05 3.68 0.04 0.00 0.93 -5.01 105.19 106.49 1xab n GLY 265 Ca -0.18 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 1xab n GLY 265 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xab s THR 266 N 0.46 2.76 0.60 2.61 2.01 -1.26 -4.99 115.64 117.82 1xab s THR 266 Ca 0.00 0.05 -0.17 0.00 0.31 0.00 0.00 61.69 61.87 1xab s THR 266 Cb 0.00 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1xab s THR 266 CO 0.00 -0.00 1.13 -2.16 -0.69 0.00 0.00 174.62 172.89 1xab s PRO 267 N 3.51 3.08 -0.10 4.92 0.04 -1.26 -4.81 135.00 140.38 1xab s PRO 267 Ca 0.84 1.53 0.04 0.00 0.04 0.00 0.00 61.00 63.45 1xab s PRO 267 Cb -0.44 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1xab s PRO 267 CO 0.39 -1.05 -0.24 0.08 0.04 0.00 0.00 177.00 176.22 1xab s VAL 268 N -2.02 2.02 -0.16 -0.36 1.01 -0.64 -0.66 120.40 119.59 1xab s VAL 268 Ca 0.70 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1xab s VAL 268 Cb -0.23 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1xab s VAL 268 CO 0.34 0.55 -0.17 -0.36 0.00 0.00 0.00 175.10 175.46 1xab s PHE 269 N 0.33 2.76 0.08 5.22 0.08 -0.43 -0.66 117.98 125.36 1xab s PHE 269 Ca -0.18 -1.18 -0.11 0.00 0.12 0.00 0.00 56.93 55.58 1xab s PHE 269 Cb -0.18 -1.88 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 1xab s PHE 269 CO 0.09 -0.55 0.25 -1.83 -0.10 0.00 0.00 175.22 173.08 1xab s GLU 270 N 0.90 0.86 0.57 0.44 -1.05 -0.66 -0.64 118.70 119.11 1xab s GLU 270 Ca -0.04 -0.77 -0.18 0.00 -0.15 0.00 0.00 54.97 53.82 1xab s GLU 270 Cb -0.15 0.36 -0.05 0.00 -0.44 0.00 0.00 34.13 33.85 1xab s GLU 270 CO -0.02 -0.28 1.11 -1.25 0.95 0.00 0.00 175.26 175.77 1xab s PRO 271 N -3.39 3.27 0.36 -4.83 0.04 -1.26 0.27 135.00 129.45 1xab s PRO 271 Ca 0.01 1.51 0.18 0.00 0.04 0.00 0.00 61.00 62.74 1xab s PRO 271 Cb 0.02 -2.00 0.61 0.00 0.04 0.00 0.00 34.50 33.17 1xab s PRO 271 CO -0.09 -0.90 1.70 0.28 0.04 0.00 0.00 177.00 178.04 1xab h VAL 272 N 0.92 0.94 -4.13 -0.36 2.07 -1.23 -3.44 116.25 111.03 1xab h VAL 272 Ca -0.49 -1.63 -0.50 0.00 0.82 0.00 0.00 66.70 64.90 1xab h VAL 272 Cb 1.25 1.98 0.07 0.00 -1.52 0.00 0.00 31.29 33.08 1xab h VAL 272 CO 0.56 0.40 0.40 -1.38 0.02 0.00 0.00 177.57 177.58 1xab s HIS 273 N -3.57 2.73 0.00 1.57 -3.43 -1.26 -5.04 115.29 106.29 1xab s HIS 273 Ca 0.00 1.55 0.00 0.00 -0.80 0.00 0.00 55.06 55.81 1xab s HIS 273 Cb 0.11 -3.20 0.00 0.00 -1.43 0.00 0.00 32.58 28.06 1xab s HIS 273 CO 0.70 -1.46 0.00 0.41 -2.00 0.00 0.00 174.74 172.39 1xab n GLY 274 N -0.20 -1.74 0.02 -1.38 0.00 -1.26 -4.83 105.19 95.79 1xab n GLY 274 Ca 0.11 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.74 1xab n GLY 274 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xab n SER 275 N -1.46 0.28 -3.84 1.61 3.41 -1.26 -4.81 113.62 107.54 1xab n SER 275 Ca 0.00 0.28 -0.26 0.00 -0.26 0.00 0.00 58.87 58.63 1xab n SER 275 Cb 0.00 -0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 63.64 1xab n SER 275 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xab n ALA 276 N -1.56 -1.87 -0.34 7.33 0.00 -1.26 -0.60 120.51 122.21 1xab n ALA 276 Ca 0.06 -0.34 0.19 0.00 0.00 0.00 0.00 53.44 53.35 1xab n ALA 276 Cb 0.36 -1.14 0.40 0.00 0.00 0.00 0.00 19.45 19.07 1xab n ALA 276 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xab h PRO 277 N -0.73 0.53 -0.48 0.00 0.11 -1.91 -1.50 132.00 128.03 1xab h PRO 277 Ca -0.45 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 65.77 1xab h PRO 277 Cb 0.91 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 1xab h PRO 277 CO 0.39 0.35 0.60 0.38 -0.21 0.00 0.00 178.00 179.51 1xab h ASP 278 N 0.55 0.00 0.00 -2.05 3.04 -1.98 -1.53 116.42 114.44 1xab h ASP 278 Ca 0.65 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.44 1xab h ASP 278 Cb 1.29 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.58 1xab h ASP 278 CO -0.47 0.00 -0.09 2.30 -2.04 0.00 0.00 179.24 178.94 1xab n ILE 279 N -3.50 1.42 -2.23 4.15 -5.35 -0.56 -5.03 119.36 108.26 1xab n ILE 279 Ca 0.09 -1.68 -0.42 0.00 -0.27 0.00 0.00 62.75 60.47 1xab n ILE 279 Cb 0.78 -0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.65 1xab n ILE 279 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xab s ALA 280 N -2.11 3.59 0.00 -1.28 0.00 -0.58 -2.97 121.76 118.41 1xab s ALA 280 Ca 0.22 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1xab s ALA 280 Cb 0.20 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1xab s ALA 280 CO 0.02 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.21 1xab n GLY 281 N 3.67 0.08 0.12 0.00 0.00 -1.26 -4.89 105.19 102.91 1xab n GLY 281 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1xab n GLY 281 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xab h LYS 282 N 4.03 0.00 -1.23 1.61 1.57 -1.94 -3.48 116.57 117.13 1xab h LYS 282 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1xab h LYS 282 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1xab h LYS 282 CO 0.00 0.00 -0.17 0.41 -0.57 0.00 0.00 179.45 179.12 1xab n GLY 283 N 1.20 0.20 0.00 3.86 0.00 -1.26 -4.91 105.19 104.28 1xab n GLY 283 Ca 0.01 -0.58 0.01 0.00 0.00 0.00 0.00 46.02 45.47 1xab n GLY 283 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xab n ILE 284 N -3.84 0.00 -1.60 -0.61 -5.35 -1.26 -1.51 119.36 105.19 1xab n ILE 284 Ca -0.06 -0.17 -0.49 0.00 -0.27 0.00 0.00 62.75 61.76 1xab n ILE 284 Cb 0.55 0.61 -0.05 0.00 -1.74 0.00 0.00 39.64 39.01 1xab n ILE 284 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xab n ALA 285 N -1.42 -0.44 -2.66 -1.28 0.00 -1.26 -4.37 120.51 109.08 1xab n ALA 285 Ca -0.00 0.48 -0.43 0.00 0.00 0.00 0.00 53.44 53.49 1xab n ALA 285 Cb 0.06 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 17.37 1xab n ALA 285 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1xab s ASN 286 N 0.31 7.04 0.00 0.00 3.04 -1.26 -4.00 114.94 120.07 1xab s ASN 286 Ca 0.78 1.30 0.29 0.00 0.04 0.00 0.00 52.86 55.26 1xab s ASN 286 Cb -0.85 -2.51 1.30 0.00 -1.54 0.00 0.00 41.25 37.65 1xab s ASN 286 CO 0.48 -0.61 1.90 -0.81 -3.04 0.00 0.00 177.10 175.03 1xab n PRO 287 N 6.14 0.68 -0.22 0.43 -0.04 -1.26 -4.43 135.00 136.31 1xab n PRO 287 Ca 0.10 -0.20 0.02 0.00 -0.04 0.00 0.00 63.50 63.38 1xab n PRO 287 Cb 0.47 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.55 1xab n PRO 287 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1xab h THR 288 N 0.49 0.48 -0.62 0.52 2.02 -1.91 -1.58 112.91 112.31 1xab h THR 288 Ca 0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1xab h THR 288 Cb 0.33 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1xab h THR 288 CO 0.00 0.03 0.35 0.00 0.37 0.00 0.00 175.52 176.26 1xab h ALA 289 N 1.58 0.79 -0.43 6.16 0.00 -1.67 0.36 119.26 126.05 1xab h ALA 289 Ca 0.34 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1xab h ALA 289 Cb 0.57 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xab h ALA 289 CO -0.54 0.30 -0.29 0.00 0.00 0.00 0.00 179.25 178.73 1xab h ALA 290 N 1.17 0.67 -0.22 0.00 0.00 -1.67 0.11 119.26 119.32 1xab h ALA 290 Ca 0.22 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1xab h ALA 290 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xab h ALA 290 CO -0.04 0.67 0.05 0.82 0.00 0.00 0.00 179.25 180.76 1xab h ILE 291 N 0.80 1.21 0.00 0.00 2.04 -1.02 -1.25 117.51 119.29 1xab h ILE 291 Ca 0.09 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 1xab h ILE 291 Cb 0.86 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1xab h ILE 291 CO 0.08 0.22 -0.08 -0.07 0.00 0.00 0.00 178.15 178.30 1xab h LEU 292 N 0.17 0.00 -0.63 1.44 3.38 -0.74 0.22 115.31 119.15 1xab h LEU 292 Ca 0.07 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1xab h LEU 292 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1xab h LEU 292 CO 0.00 0.08 -0.36 0.28 0.09 0.00 0.00 178.44 178.53 1xab h SER 293 N 0.00 0.72 -0.82 -0.43 0.02 -0.25 -1.33 113.55 111.45 1xab h SER 293 Ca -0.00 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 1xab h SER 293 Cb 0.16 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 1xab h SER 293 CO 0.01 1.01 0.47 0.00 -1.14 0.00 0.00 176.83 177.17 1xab h ALA 294 N 1.03 1.05 -0.50 3.77 0.00 0.17 -1.27 119.26 123.51 1xab h ALA 294 Ca 0.06 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1xab h ALA 294 Cb 0.88 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1xab h ALA 294 CO 0.08 0.55 -0.08 0.00 0.00 0.00 0.00 179.25 179.79 1xab h ALA 295 N 1.25 0.91 0.00 0.00 0.00 -1.00 -1.14 119.26 119.28 1xab h ALA 295 Ca 0.29 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1xab h ALA 295 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1xab h ALA 295 CO -0.05 0.64 -0.30 0.52 0.00 0.00 0.00 179.25 180.06 1xab h MET 296 N 0.82 0.00 -0.19 0.00 2.86 -0.95 -1.55 114.93 115.93 1xab h MET 296 Ca 0.14 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1xab h MET 296 Cb 0.60 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1xab h MET 296 CO 0.04 0.30 -0.13 1.98 1.06 0.00 0.00 176.91 180.16 1xab h MET 297 N 0.00 0.42 -0.33 1.72 -1.53 -0.04 0.26 114.93 115.42 1xab h MET 297 Ca -0.00 -0.20 0.02 0.00 -3.44 0.00 0.00 59.70 56.08 1xab h MET 297 Cb 0.59 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.62 1xab h MET 297 CO 0.04 0.74 0.18 -0.07 0.14 0.00 0.00 176.91 177.95 1xab h LEU 298 N 0.09 0.28 0.33 3.39 3.38 -1.12 0.37 115.31 122.03 1xab h LEU 298 Ca 0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1xab h LEU 298 Cb 0.64 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1xab h LEU 298 CO 0.04 0.21 -0.16 -0.08 0.09 0.00 0.00 178.44 178.54 1xab h GLU 299 N 0.37 -0.42 0.00 1.13 4.81 -1.19 0.12 114.58 119.40 1xab h GLU 299 Ca 0.14 0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 59.15 1xab h GLU 299 Cb 0.03 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1xab h GLU 299 CO -0.08 -0.14 -1.73 0.72 -0.73 0.00 0.00 179.01 177.06 1xab n HIS 300 N -5.18 0.78 -0.04 0.92 8.25 0.89 -2.09 115.22 118.75 1xab n HIS 300 Ca -0.10 0.27 -0.14 0.00 -0.26 0.00 0.00 57.72 57.49 1xab n HIS 300 Cb 0.26 -1.09 -0.14 0.00 1.12 0.00 0.00 29.99 30.14 1xab n HIS 300 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xab n ALA 301 N -2.52 1.29 0.30 -1.41 0.00 0.13 -4.59 120.51 113.71 1xab n ALA 301 Ca -0.16 -0.83 0.03 0.00 0.00 0.00 0.00 53.44 52.48 1xab n ALA 301 Cb 0.97 -0.61 0.01 0.00 0.00 0.00 0.00 19.45 19.82 1xab n ALA 301 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xab n PHE 302 N -3.17 0.00 -1.02 0.00 3.72 -1.01 -4.99 117.46 110.99 1xab n PHE 302 Ca -0.27 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.12 1xab n PHE 302 Cb 1.06 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.60 1xab n PHE 302 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xab n GLY 303 N 0.68 0.41 2.47 1.37 0.00 -0.19 -4.91 105.19 105.02 1xab n GLY 303 Ca 0.03 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1xab n GLY 303 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xab n LEU 304 N -0.08 8.13 -0.16 0.99 4.32 0.25 -4.71 117.00 125.74 1xab n LEU 304 Ca -0.01 -4.63 -0.04 0.00 -0.02 0.00 0.00 56.01 51.31 1xab n LEU 304 Cb 0.15 -1.46 0.05 0.00 -1.62 0.00 0.00 43.42 40.54 1xab n LEU 304 CO 0.01 1.95 1.00 0.58 -1.22 0.00 0.00 177.39 179.71 1xab h VAL 305 N 2.93 0.92 -0.31 4.08 2.07 -1.82 -0.40 116.25 123.72 1xab h VAL 305 Ca 0.73 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 68.08 1xab h VAL 305 Cb 0.34 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1xab h VAL 305 CO 1.63 0.08 0.11 -0.08 0.02 0.00 0.00 177.57 179.33 1xab h GLU 306 N 0.43 0.48 -0.48 1.57 4.81 -1.96 0.79 114.58 120.22 1xab h GLU 306 Ca 0.22 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1xab h GLU 306 Cb 0.16 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1xab h GLU 306 CO -0.18 0.50 0.26 -0.07 -0.73 0.00 0.00 179.01 178.79 1xab h LEU 307 N 0.36 0.40 -0.87 1.64 3.38 -1.80 -1.49 115.31 116.92 1xab h LEU 307 Ca 0.10 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.21 1xab h LEU 307 Cb 0.21 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 1xab h LEU 307 CO -0.01 0.28 0.49 0.00 0.09 0.00 0.00 178.44 179.30 1xab h ALA 308 N 1.23 1.30 -0.45 1.53 0.00 -0.44 -0.55 119.26 121.87 1xab h ALA 308 Ca 0.20 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1xab h ALA 308 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1xab h ALA 308 CO -0.12 0.04 0.02 0.00 0.00 0.00 0.00 179.25 179.20 1xab h ARG 309 N 0.76 0.78 -0.28 0.00 2.47 -0.43 -0.45 114.38 117.23 1xab h ARG 309 Ca 0.45 -0.24 -0.00 0.00 -1.26 0.00 0.00 59.98 58.93 1xab h ARG 309 Cb 0.52 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 1xab h ARG 309 CO -0.30 0.83 0.17 -0.22 0.56 0.00 0.00 179.97 181.01 1xab h LYS 310 N 0.62 0.38 -0.37 0.04 3.64 -0.56 0.04 116.57 120.37 1xab h LYS 310 Ca 0.13 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1xab h LYS 310 Cb 0.46 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1xab h LYS 310 CO 0.02 0.30 0.15 0.28 -2.27 0.00 0.00 179.45 177.92 1xab h VAL 311 N 0.36 0.91 -0.47 2.00 2.07 -0.95 -1.39 116.25 118.78 1xab h VAL 311 Ca 0.10 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1xab h VAL 311 Cb 0.01 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1xab h VAL 311 CO -0.02 0.06 0.30 -0.33 0.02 0.00 0.00 177.57 177.60 1xab h GLU 312 N 0.31 0.59 -0.70 1.57 5.08 -0.58 -1.66 114.58 119.18 1xab h GLU 312 Ca 0.17 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.58 1xab h GLU 312 Cb 0.13 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1xab h GLU 312 CO -0.16 0.39 0.34 -0.44 -1.00 0.00 0.00 179.01 178.14 1xab h ASP 313 N 0.60 0.45 -0.50 1.42 3.32 -0.77 -0.07 116.42 120.87 1xab h ASP 313 Ca 0.18 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 1xab h ASP 313 Cb -0.03 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1xab h ASP 313 CO -0.06 0.26 0.17 0.00 -1.72 0.00 0.00 179.24 177.89 1xab h ALA 314 N 1.42 1.27 0.01 3.45 0.00 -0.49 -1.14 119.26 123.79 1xab h ALA 314 Ca 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xab h ALA 314 Cb 0.35 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xab h ALA 314 CO -0.26 0.52 -0.00 0.28 0.00 0.00 0.00 179.25 179.78 1xab h VAL 315 N 0.80 1.19 0.07 0.00 2.07 -1.00 -0.58 116.25 118.80 1xab h VAL 315 Ca 0.18 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 67.12 1xab h VAL 315 Cb 0.23 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1xab h VAL 315 CO -0.01 0.16 -0.38 0.00 0.02 0.00 0.00 177.57 177.36 1xab h ALA 316 N 0.71 -0.62 -0.67 1.67 0.00 -0.77 0.41 119.26 120.00 1xab h ALA 316 Ca -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1xab h ALA 316 Cb 0.27 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1xab h ALA 316 CO 0.00 -0.92 0.41 0.87 0.00 0.00 0.00 179.25 179.61 1xab h LYS 317 N -0.57 0.77 -0.58 0.00 1.79 -1.23 -2.70 116.57 114.04 1xab h LYS 317 Ca 0.04 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1xab h LYS 317 Cb 0.63 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.07 1xab h LYS 317 CO -0.26 0.51 0.37 0.00 -1.08 0.00 0.00 179.45 178.99 1xab h ALA 318 N 1.30 0.75 0.00 3.86 0.00 -0.70 0.11 119.26 124.57 1xab h ALA 318 Ca 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1xab h ALA 318 Cb 0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1xab h ALA 318 CO -0.12 0.13 -0.05 -0.07 0.00 0.00 0.00 179.25 179.14 1xab h LEU 319 N 0.74 0.00 0.14 0.00 3.38 -0.61 0.16 115.31 119.13 1xab h LEU 319 Ca 0.23 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.97 1xab h LEU 319 Cb -0.03 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.74 1xab h LEU 319 CO -0.08 0.05 -1.04 -0.07 0.09 0.00 0.00 178.44 177.40 1xab h LEU 320 N 0.00 0.47 -0.05 1.67 4.07 -1.24 -3.29 115.31 116.94 1xab h LEU 320 Ca -0.00 -0.92 -0.04 0.00 0.08 0.00 0.00 57.88 57.00 1xab h LEU 320 Cb 0.11 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1xab h LEU 320 CO 0.01 1.48 -0.14 -0.08 -1.08 0.00 0.00 178.44 178.63 1xab h GLU 321 N -0.32 0.18 -2.51 1.13 4.81 0.28 -3.38 114.58 114.77 1xab h GLU 321 Ca -0.20 -0.13 -0.60 0.00 -0.13 0.00 0.00 59.36 58.30 1xab h GLU 321 Cb 1.71 0.02 -0.40 0.00 0.63 0.00 0.00 28.75 30.72 1xab h GLU 321 CO 0.13 0.75 -0.85 0.25 -0.73 0.00 0.00 179.01 178.56 1xab n THR 322 N -4.62 -0.08 -1.74 0.32 -2.24 0.46 -5.08 114.28 101.32 1xab n THR 322 Ca -0.08 -4.04 -0.42 0.00 -2.27 0.00 0.00 64.05 57.23 1xab n THR 322 Cb 0.39 -1.88 -0.01 0.00 -2.10 0.00 0.00 70.33 66.73 1xab n THR 322 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1xab n PRO 323 N 2.26 2.60 -0.77 -0.78 -0.04 -1.24 -4.60 135.00 132.43 1xab n PRO 323 Ca 0.26 0.92 -0.31 0.00 -0.04 0.00 0.00 63.50 64.33 1xab n PRO 323 Cb 0.44 -2.67 0.16 0.00 -0.04 0.00 0.00 33.50 31.40 1xab n PRO 323 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1xab s PRO 324 N -0.89 1.06 0.32 0.54 0.02 -1.26 -2.45 135.00 132.34 1xab s PRO 324 Ca 0.62 1.45 0.07 0.00 0.02 0.00 0.00 61.00 63.16 1xab s PRO 324 Cb -0.51 -1.74 0.91 0.00 0.02 0.00 0.00 34.50 33.18 1xab s PRO 324 CO 0.52 -2.57 1.60 -1.35 -0.33 0.00 0.00 177.00 174.87 1xab h PRO 325 N -1.82 0.07 -0.05 5.54 0.11 -1.68 0.15 132.00 134.32 1xab h PRO 325 Ca -0.44 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.68 1xab h PRO 325 Cb 1.27 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xab h PRO 325 CO 0.43 0.05 0.11 -0.44 -0.21 0.00 0.00 178.00 177.94 1xab h ASP 326 N 0.07 0.00 -0.39 -2.05 3.32 -1.92 0.17 116.42 115.63 1xab h ASP 326 Ca 0.66 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.57 1xab h ASP 326 Cb 1.48 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.95 1xab h ASP 326 CO -0.80 0.00 0.03 0.18 -1.72 0.00 0.00 179.24 176.93 1xab n LEU 327 N -3.39 4.33 -0.21 1.55 4.32 -0.17 -4.92 117.00 118.51 1xab n LEU 327 Ca -0.02 -3.44 -0.03 0.00 -0.02 0.00 0.00 56.01 52.50 1xab n LEU 327 Cb 0.20 -0.62 -0.01 0.00 -1.62 0.00 0.00 43.42 41.36 1xab n LEU 327 CO 0.22 0.99 -0.03 0.61 -1.22 0.00 0.00 177.39 177.97 1xab n GLY 328 N -0.84 0.59 0.00 -0.72 0.00 0.58 -4.82 105.19 99.97 1xab n GLY 328 Ca 0.31 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1xab n GLY 328 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xab n GLY 329 N -2.19 2.13 0.00 -0.02 0.00 0.36 -4.87 105.19 100.59 1xab n GLY 329 Ca -0.03 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1xab n GLY 329 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xab n SER 330 N 0.00 0.14 -4.64 1.61 3.41 -1.03 -2.94 113.62 110.17 1xab n SER 330 Ca 0.00 -0.46 -0.43 0.00 -0.26 0.00 0.00 58.87 57.73 1xab n SER 330 Cb 0.00 0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 1xab n SER 330 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xab s ALA 331 N -0.34 3.30 1.07 7.33 0.00 -1.13 -4.71 121.76 127.28 1xab s ALA 331 Ca 0.00 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 52.58 1xab s ALA 331 Cb 0.00 -3.87 0.23 0.00 0.00 0.00 0.00 23.12 19.48 1xab s ALA 331 CO 0.00 -1.93 1.17 0.20 0.00 0.00 0.00 175.76 175.20 1xab s GLY 332 N 4.85 1.63 0.20 0.00 0.00 -1.26 -4.11 107.32 108.63 1xab s GLY 332 Ca 0.80 -0.90 -0.19 0.00 0.00 0.00 0.00 44.72 44.43 1xab s GLY 332 CO 0.33 -0.12 1.59 -0.84 0.00 0.00 0.00 173.10 174.05 1xab h THR 333 N -2.09 0.17 0.33 0.90 2.02 -1.40 -0.27 112.91 112.56 1xab h THR 333 Ca -0.46 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1xab h THR 333 Cb 1.29 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1xab h THR 333 CO 0.42 0.00 -0.16 -0.08 0.37 0.00 0.00 175.52 176.07 1xab h GLU 334 N -0.13 -0.43 -0.86 6.66 4.57 -1.92 -0.50 114.58 121.99 1xab h GLU 334 Ca 0.26 0.03 0.18 0.00 -1.18 0.00 0.00 59.36 58.64 1xab h GLU 334 Cb 0.55 0.10 -0.11 0.00 -0.16 0.00 0.00 28.75 29.13 1xab h GLU 334 CO -0.72 -0.16 0.40 0.00 -1.18 0.00 0.00 179.01 177.35 1xab h ALA 335 N -0.06 1.31 -0.10 2.92 0.00 -1.86 0.38 119.26 121.85 1xab h ALA 335 Ca -0.05 0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 1xab h ALA 335 Cb 0.46 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xab h ALA 335 CO 0.07 -0.21 -0.63 0.35 0.00 0.00 0.00 179.25 178.84 1xab h PHE 336 N 0.51 0.84 -0.89 0.00 3.57 -0.87 -2.73 116.94 117.37 1xab h PHE 336 Ca 0.49 -0.38 0.04 0.00 3.53 0.00 0.00 57.97 61.65 1xab h PHE 336 Cb 0.81 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 1xab h PHE 336 CO -0.12 1.18 0.58 1.15 -2.23 0.00 0.00 178.31 178.88 1xab h THR 337 N 0.25 1.13 -0.70 4.41 2.02 -0.36 -1.76 112.91 117.91 1xab h THR 337 Ca -0.05 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1xab h THR 337 Cb 1.28 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1xab h THR 337 CO 0.13 0.20 0.46 0.00 0.37 0.00 0.00 175.52 176.68 1xab h ALA 338 N 1.49 0.88 0.00 6.16 0.00 -0.81 -0.99 119.26 126.00 1xab h ALA 338 Ca 0.36 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1xab h ALA 338 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xab h ALA 338 CO -0.11 0.31 -0.20 0.00 0.00 0.00 0.00 179.25 179.24 1xab h THR 339 N 0.95 0.37 0.12 0.00 1.03 -1.02 0.12 112.91 114.48 1xab h THR 339 Ca 0.26 -1.39 -0.01 0.00 -0.01 0.00 0.00 66.41 65.26 1xab h THR 339 Cb -0.11 2.07 0.00 0.00 -1.07 0.00 0.00 68.15 69.04 1xab h THR 339 CO -0.06 0.20 -0.06 0.58 -0.01 0.00 0.00 175.52 176.18 1xab h VAL 340 N 0.00 0.98 -0.85 0.00 2.07 -0.99 -1.74 116.25 115.72 1xab h VAL 340 Ca -0.00 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1xab h VAL 340 Cb 1.05 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1xab h VAL 340 CO 0.03 0.09 0.56 -0.07 0.02 0.00 0.00 177.57 178.20 1xab h LEU 341 N -0.33 0.96 -1.89 2.57 3.38 -0.73 -0.34 115.31 118.93 1xab h LEU 341 Ca -0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1xab h LEU 341 Cb 0.27 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xab h LEU 341 CO 0.03 0.68 -0.08 -0.09 0.09 0.00 0.00 178.44 179.07 1xab h ARG 342 N 1.12 0.00 0.00 1.13 2.43 -0.46 0.43 114.38 119.03 1xab h ARG 342 Ca 0.32 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1xab h ARG 342 Cb -0.09 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1xab h ARG 342 CO -0.08 0.08 -0.81 0.45 -1.51 0.00 0.00 179.97 178.11 1xab h HIS 343 N 0.00 0.00 0.00 2.20 3.86 -0.23 -3.35 115.15 117.64 1xab h HIS 343 Ca -0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 1xab h HIS 343 Cb 0.16 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 1xab h HIS 343 CO 0.00 0.00 -0.77 1.25 0.86 0.00 0.00 177.93 179.28 1xab h LEU 344 N 0.00 0.00 -0.01 2.43 5.85 0.55 -3.47 115.31 120.66 1xab h LEU 344 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xab h LEU 344 Cb 1.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1xab h LEU 344 CO 0.00 0.61 0.00 0.00 -0.34 0.00 0.00 178.44 178.71