#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dws n SER 2 N 0.00 0.00 0.09 0.00 7.64 -1.26 -4.96 113.62 115.13 3dws n SER 2 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 3dws n SER 2 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 3dws n SER 2 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3dws h LEU 3 N 0.00 0.30 -0.58 -3.43 3.38 -2.05 -1.45 115.31 111.48 3dws h LEU 3 Ca 0.00 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 3dws h LEU 3 Cb 0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3dws h LEU 3 CO 0.00 1.16 0.14 0.00 0.09 0.00 0.00 178.44 179.83 3dws h ALA 4 N 0.81 0.77 -0.57 1.53 0.00 -2.00 -2.06 119.26 117.74 3dws h ALA 4 Ca -0.08 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3dws h ALA 4 Cb 1.73 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 3dws h ALA 4 CO 0.16 0.47 0.04 0.28 0.00 0.00 0.00 179.25 180.21 3dws h VAL 5 N 0.84 1.25 -0.51 0.00 2.07 -1.98 -2.20 116.25 115.73 3dws h VAL 5 Ca 0.18 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 3dws h VAL 5 Cb 0.35 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3dws h VAL 5 CO 0.00 0.37 0.15 -0.33 0.02 0.00 0.00 177.57 177.78 3dws h GLU 6 N 0.88 0.79 -0.72 1.57 4.39 -1.10 -0.58 114.58 119.81 3dws h GLU 6 Ca 0.17 -0.18 0.10 0.00 0.34 0.00 0.00 59.36 59.79 3dws h GLU 6 Cb 0.46 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.92 3dws h GLU 6 CO 0.02 0.75 0.35 0.00 -1.16 0.00 0.00 179.01 178.96 3dws h ALA 7 N 1.01 0.99 0.07 3.43 0.00 -1.16 0.19 119.26 123.79 3dws h ALA 7 Ca 0.16 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3dws h ALA 7 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3dws h ALA 7 CO -0.00 -0.07 -0.04 0.28 0.00 0.00 0.00 179.25 179.42 3dws h VAL 8 N 0.58 1.00 -0.62 0.00 2.07 -1.09 -2.22 116.25 115.97 3dws h VAL 8 Ca 0.36 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.75 3dws h VAL 8 Cb 0.40 1.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 3dws h VAL 8 CO -0.29 0.06 0.19 0.50 0.02 0.00 0.00 177.57 178.05 3dws h LYS 9 N -0.21 0.33 -0.41 1.57 3.64 -0.47 -0.89 116.57 120.13 3dws h LYS 9 Ca -0.01 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3dws h LYS 9 Cb 0.18 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3dws h LYS 9 CO 0.02 0.22 0.04 -0.44 -2.27 0.00 0.00 179.45 177.01 3dws h ASP 10 N 0.34 0.60 -0.03 4.20 3.32 -0.52 -2.10 116.42 122.22 3dws h ASP 10 Ca 0.33 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3dws h ASP 10 Cb 0.46 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3dws h ASP 10 CO -0.37 0.65 -0.03 0.15 -1.72 0.00 0.00 179.24 177.92 3dws h PHE 11 N 0.61 0.10 -0.77 4.55 3.57 -0.72 -2.62 116.94 121.66 3dws h PHE 11 Ca 0.13 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.67 3dws h PHE 11 Cb 0.33 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 3dws h PHE 11 CO 0.01 0.53 0.45 -0.07 -2.23 0.00 0.00 178.31 177.00 3dws h LEU 12 N -0.37 0.67 -0.92 0.59 3.38 -1.03 0.43 115.31 118.07 3dws h LEU 12 Ca 0.01 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3dws h LEU 12 Cb 0.52 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3dws h LEU 12 CO 0.01 0.42 0.00 -0.07 0.09 0.00 0.00 178.44 178.89 3dws h LEU 13 N 0.80 0.76 -0.22 1.67 3.38 -1.42 -1.88 115.31 118.41 3dws h LEU 13 Ca 0.35 -0.18 -0.22 0.00 0.09 0.00 0.00 57.88 57.92 3dws h LEU 13 Cb 0.22 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.78 3dws h LEU 13 CO -0.20 0.83 -0.78 0.50 0.09 0.00 0.00 178.44 178.88 3dws h LYS 14 N 0.74 0.70 -0.88 1.13 3.64 -0.88 -2.74 116.57 118.28 3dws h LYS 14 Ca 0.15 -0.58 0.02 0.00 -1.27 0.00 0.00 60.65 58.97 3dws h LYS 14 Cb 0.45 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.34 3dws h LYS 14 CO 0.02 1.19 0.58 1.25 -2.27 0.00 0.00 179.45 180.22 3dws h LEU 15 N 0.47 0.99 -0.16 5.20 5.85 -0.02 0.98 115.31 128.62 3dws h LEU 15 Ca -0.05 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3dws h LEU 15 Cb 1.39 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3dws h LEU 15 CO 0.15 0.71 0.07 -0.61 -0.34 0.00 0.00 178.44 178.42 3dws h GLN 16 N 1.17 0.24 -0.44 1.25 4.15 -1.30 0.23 115.11 120.41 3dws h GLN 16 Ca 0.33 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.75 3dws h GLN 16 Cb -0.09 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.51 3dws h GLN 16 CO -0.08 0.31 0.20 -0.44 -1.93 0.00 0.00 178.83 176.89 3dws h ASP 17 N 0.11 0.27 -0.63 -0.69 3.32 -1.15 -1.26 116.42 116.39 3dws h ASP 17 Ca 0.05 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3dws h ASP 17 Cb 0.16 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3dws h ASP 17 CO -0.01 0.20 0.29 0.44 -1.72 0.00 0.00 179.24 178.44 3dws h ASP 18 N 0.41 0.84 -0.50 6.45 5.19 -0.35 -0.59 116.42 127.86 3dws h ASP 18 Ca 0.19 -0.14 -0.10 0.00 -0.62 0.00 0.00 57.03 56.36 3dws h ASP 18 Cb 0.13 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.41 3dws h ASP 18 CO -0.16 0.75 -0.09 0.40 -3.12 0.00 0.00 179.24 177.02 3dws h ILE 19 N 0.88 1.27 0.16 0.35 2.04 -0.32 -2.64 117.51 119.25 3dws h ILE 19 Ca 0.22 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 3dws h ILE 19 Cb 0.14 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3dws h ILE 19 CO -0.03 0.43 -0.08 0.00 0.00 0.00 0.00 178.15 178.47 3dws h GLU 21 N -0.40 0.08 -0.70 0.00 4.81 -1.18 0.45 114.58 117.65 3dws h GLU 21 Ca -0.02 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3dws h GLU 21 Cb 0.31 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3dws h GLU 21 CO 0.04 0.05 0.36 0.00 -0.73 0.00 0.00 179.01 178.72 3dws h ALA 22 N 1.42 0.90 -0.14 2.92 0.00 -1.33 0.10 119.26 123.13 3dws h ALA 22 Ca 0.23 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 3dws h ALA 22 Cb 0.34 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3dws h ALA 22 CO -0.40 0.44 -0.70 -0.07 0.00 0.00 0.00 179.25 178.52 3dws h LEU 23 N 0.97 0.68 -0.46 0.00 3.38 -0.47 -2.64 115.31 116.75 3dws h LEU 23 Ca 0.24 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3dws h LEU 23 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3dws h LEU 23 CO -0.03 1.18 0.28 -0.33 0.09 0.00 0.00 178.44 179.63 3dws h GLU 24 N 0.41 0.62 -0.62 1.13 5.08 0.25 -2.02 114.58 119.43 3dws h GLU 24 Ca -0.03 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3dws h GLU 24 Cb 1.28 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 3dws h GLU 24 CO 0.13 0.45 0.41 0.00 -1.00 0.00 0.00 179.01 179.00 3dws h ALA 25 N 1.14 1.80 -0.06 3.43 0.00 -0.89 -0.29 119.26 124.39 3dws h ALA 25 Ca 0.17 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3dws h ALA 25 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3dws h ALA 25 CO -0.03 0.10 -0.71 0.93 0.00 0.00 0.00 179.25 179.54 3dws h GLU 26 N 0.61 0.29 0.00 0.00 4.39 -1.07 -3.35 114.58 115.44 3dws h GLU 26 Ca 0.27 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 3dws h GLU 26 Cb 0.28 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3dws h GLU 26 CO -0.08 0.88 -0.01 0.22 -1.16 0.00 0.00 179.01 178.86 3dws h ASP 27 N 0.20 0.00 0.00 1.42 1.82 -0.59 -3.46 116.42 115.80 3dws h ASP 27 Ca -0.02 -1.00 0.00 0.00 -0.39 0.00 0.00 57.03 55.62 3dws h ASP 27 Cb 1.26 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.27 3dws h ASP 27 CO 0.11 1.00 0.00 0.61 -1.61 0.00 0.00 179.24 179.36 3dws n GLY 28 N 1.61 0.26 1.01 -0.78 0.00 -0.21 -4.50 105.19 102.57 3dws n GLY 28 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 3dws n GLY 28 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dws n GLN 29 N -1.46 0.02 -4.01 1.61 7.27 -1.26 -5.05 117.38 114.49 3dws n GLN 29 Ca 0.00 0.01 -0.24 0.00 0.07 0.00 0.00 57.00 56.84 3dws n GLN 29 Cb 0.10 -0.53 -0.04 0.00 2.41 0.00 0.00 30.24 32.19 3dws n GLN 29 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3dws s ALA 30 N -2.03 3.80 0.23 1.69 0.00 -1.26 -4.99 121.76 119.21 3dws s ALA 30 Ca -0.01 -1.20 0.09 0.00 0.00 0.00 0.00 51.96 50.85 3dws s ALA 30 Cb 0.00 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 3dws s ALA 30 CO 0.01 0.40 -0.17 0.95 0.00 0.00 0.00 175.76 176.96 3dws s THR 31 N -1.88 2.03 0.19 0.00 -4.23 -1.26 -4.85 115.64 105.65 3dws s THR 31 Ca 0.33 -2.27 -0.31 0.00 -1.18 0.00 0.00 61.69 58.27 3dws s THR 31 Cb -0.10 -2.13 -0.09 0.00 1.34 0.00 0.00 72.50 71.52 3dws s THR 31 CO 0.27 -0.50 1.43 -0.36 -0.54 0.00 0.00 174.62 174.92 3dws s PHE 32 N -2.73 3.13 -0.16 3.99 0.08 -1.26 -4.79 117.98 116.24 3dws s PHE 32 Ca 0.25 0.96 -0.08 0.00 0.12 0.00 0.00 56.93 58.18 3dws s PHE 32 Cb -0.03 -3.77 -0.04 0.00 -0.57 0.00 0.00 43.02 38.61 3dws s PHE 32 CO 0.10 -2.60 0.12 0.14 -0.10 0.00 0.00 175.22 172.88 3dws s VAL 33 N 0.52 5.37 -0.09 -0.44 -7.23 0.62 -4.86 120.40 114.28 3dws s VAL 33 Ca 0.62 0.17 -0.05 0.00 -1.81 0.00 0.00 61.98 60.91 3dws s VAL 33 Cb -0.40 -3.40 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 3dws s VAL 33 CO 0.37 0.52 0.10 -0.70 -0.31 0.00 0.00 175.10 175.07 3dws s GLU 34 N -0.26 3.27 -0.35 4.82 2.12 -1.26 -1.06 118.70 125.98 3dws s GLU 34 Ca 0.11 -0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.19 3dws s GLU 34 Cb -0.12 -3.04 0.11 0.00 0.26 0.00 0.00 34.13 31.35 3dws s GLU 34 CO 0.01 0.74 0.11 0.34 -0.54 0.00 0.00 175.26 175.91 3dws s ASP 35 N -1.11 4.24 -0.03 -1.70 -1.08 0.91 -4.98 116.67 112.91 3dws s ASP 35 Ca 0.16 -2.01 -0.22 0.00 -0.52 0.00 0.00 52.55 49.96 3dws s ASP 35 Cb -0.12 -1.18 -0.05 0.00 -1.46 0.00 0.00 42.92 40.12 3dws s ASP 35 CO 0.05 -0.38 0.65 -1.59 0.52 0.00 0.00 175.17 174.43 3dws s LYS 36 N 1.12 4.40 0.17 4.34 -2.85 -1.26 -1.54 119.74 124.11 3dws s LYS 36 Ca 0.12 0.82 0.00 0.00 -1.00 0.00 0.00 55.97 55.91 3dws s LYS 36 Cb -0.19 -3.40 -0.04 0.00 -2.06 0.00 0.00 37.83 32.14 3dws s LYS 36 CO -0.15 0.21 0.04 1.67 0.10 0.00 0.00 175.35 177.22 3dws s TRP 37 N 0.32 1.11 0.04 1.78 1.48 -0.01 -5.01 118.94 118.65 3dws s TRP 37 Ca 0.34 -1.15 -0.02 0.00 -1.06 0.00 0.00 56.10 54.21 3dws s TRP 37 Cb -0.18 -0.63 -0.02 0.00 -1.16 0.00 0.00 33.47 31.48 3dws s TRP 37 CO 0.18 -0.37 0.02 0.95 -4.06 0.00 0.00 176.95 173.66 3dws s THR 38 N -3.85 0.16 0.20 0.66 -4.23 -1.26 -2.29 115.64 105.02 3dws s THR 38 Ca 0.27 -1.31 0.06 0.00 -1.18 0.00 0.00 61.69 59.52 3dws s THR 38 Cb 0.07 -0.96 -0.05 0.00 1.34 0.00 0.00 72.50 72.90 3dws s THR 38 CO 0.05 -0.72 -0.09 -0.60 -0.54 0.00 0.00 174.62 172.72 3dws s ARG 39 N -2.80 1.26 -0.17 3.99 6.06 -0.88 -4.95 118.95 121.45 3dws s ARG 39 Ca -0.03 -1.58 -0.32 0.00 -2.50 0.00 0.00 55.73 51.30 3dws s ARG 39 Cb -0.00 -0.84 -0.09 0.00 0.06 0.00 0.00 34.95 34.08 3dws s ARG 39 CO -0.06 0.07 2.08 0.39 -2.50 0.00 0.00 175.30 175.28 3dws n GLU 40 N -0.34 1.96 -3.98 5.12 1.02 -1.26 -2.99 120.64 120.16 3dws n GLU 40 Ca -0.08 0.63 -0.31 0.00 -0.02 0.00 0.00 57.16 57.38 3dws n GLU 40 Cb 0.61 -2.86 -0.03 0.00 -0.02 0.00 0.00 31.44 29.14 3dws n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dws n GLY 41 N 5.36 -0.36 2.48 0.62 0.00 -1.26 -4.85 105.19 107.18 3dws n GLY 41 Ca 0.29 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.48 3dws n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dws n GLY 42 N -2.07 1.87 7.00 -0.02 0.00 -1.16 -4.52 105.19 106.29 3dws n GLY 42 Ca -0.18 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3dws n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dws n GLY 43 N -1.34 3.83 0.00 -0.02 0.00 -1.26 -3.20 105.19 103.20 3dws n GLY 43 Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3dws n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dws n GLY 44 N 0.00 -0.58 3.80 -0.02 0.00 -0.39 -2.06 105.19 105.94 3dws n GLY 44 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.57 3dws n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dws s GLY 45 N 0.00 -0.09 -0.28 -0.02 0.00 -0.97 0.46 107.32 106.42 3dws s GLY 45 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.68 3dws s GLY 45 CO 0.00 0.92 0.04 0.50 0.00 0.00 0.00 173.10 174.56 3dws s ARG 46 N -2.78 1.08 -0.34 2.90 0.52 0.49 -0.83 118.95 119.99 3dws s ARG 46 Ca 0.16 -1.11 -0.17 0.00 -0.52 0.00 0.00 55.73 54.09 3dws s ARG 46 Cb -0.02 -2.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.07 3dws s ARG 46 CO 0.03 -0.83 0.46 0.99 0.02 0.00 0.00 175.30 175.98 3dws s THR 47 N 1.46 5.07 -0.22 0.02 2.01 -0.59 -1.99 115.64 121.40 3dws s THR 47 Ca 0.04 0.26 -0.09 0.00 0.31 0.00 0.00 61.69 62.22 3dws s THR 47 Cb -0.18 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 3dws s THR 47 CO -0.15 -0.17 0.10 -0.13 -0.69 0.00 0.00 174.62 173.59 3dws s ARG 48 N 2.26 3.92 0.00 4.92 0.52 -1.14 -0.06 118.95 129.37 3dws s ARG 48 Ca 0.16 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 3dws s ARG 48 Cb -0.16 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 31.94 3dws s ARG 48 CO 0.13 0.07 0.00 1.33 0.02 0.00 0.00 175.30 176.84 3dws n VAL 49 N 4.20 0.00 0.00 3.52 0.24 -0.23 -0.96 118.33 125.10 3dws n VAL 49 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 3dws n VAL 49 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 3dws n VAL 49 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 3dws n VAL 51 N 0.00 0.00 -3.62 3.34 3.14 -1.26 -0.28 118.33 119.65 3dws n VAL 51 Ca 0.00 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.13 3dws n VAL 51 Cb 0.00 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 32.82 3dws n VAL 51 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3dws n ASP 52 N 0.00 -3.91 -4.17 6.55 8.00 0.85 -4.96 116.55 118.91 3dws n ASP 52 Ca 0.00 -0.90 -0.20 0.00 0.71 0.00 0.00 54.79 54.41 3dws n ASP 52 Cb 0.00 -3.92 0.10 0.00 -0.02 0.00 0.00 41.12 37.28 3dws n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dws n GLY 53 N -1.58 0.68 0.23 0.44 0.00 -0.17 -4.79 105.19 100.00 3dws n GLY 53 Ca -0.17 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 43.77 3dws n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dws h ALA 54 N -0.57 0.92 0.00 4.61 0.00 -1.94 -3.40 119.26 118.87 3dws h ALA 54 Ca -0.28 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 3dws h ALA 54 Cb 1.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3dws h ALA 54 CO 0.30 0.63 -1.11 0.28 0.00 0.00 0.00 179.25 179.34 3dws n VAL 55 N -4.05 0.11 -3.46 0.00 0.31 -1.26 -4.87 118.33 105.12 3dws n VAL 55 Ca -0.01 -0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 63.85 3dws n VAL 55 Cb 0.49 -0.84 -0.10 0.00 -0.91 0.00 0.00 33.84 32.48 3dws n VAL 55 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3dws s ILE 56 N -2.04 5.19 0.02 2.52 1.01 -1.26 -0.89 121.20 125.75 3dws s ILE 56 Ca -0.03 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 59.67 3dws s ILE 56 Cb 0.01 -3.94 -0.26 0.00 0.01 0.00 0.00 42.46 38.27 3dws s ILE 56 CO 0.04 -0.37 1.08 -0.08 0.00 0.00 0.00 174.94 175.61 3dws h GLU 57 N 8.64 0.49 -3.21 2.79 4.81 -1.71 -0.43 114.58 125.96 3dws h GLU 57 Ca -0.27 -0.61 -0.26 0.00 -0.13 0.00 0.00 59.36 58.09 3dws h GLU 57 Cb 1.12 0.19 -0.33 0.00 0.63 0.00 0.00 28.75 30.35 3dws h GLU 57 CO 0.76 1.24 -0.62 0.21 -0.73 0.00 0.00 179.01 179.87 3dws s LYS 58 N -3.03 0.07 -0.17 1.92 2.20 -0.95 -0.11 119.74 119.67 3dws s LYS 58 Ca -0.12 0.43 -0.13 0.00 -0.36 0.00 0.00 55.97 55.79 3dws s LYS 58 Cb 0.04 -0.22 0.05 0.00 -1.51 0.00 0.00 37.83 36.19 3dws s LYS 58 CO 0.87 -0.21 0.43 0.20 -0.36 0.00 0.00 175.35 176.28 3dws s GLY 59 N 1.55 -0.34 -0.04 5.54 0.00 -1.26 -0.35 107.32 112.42 3dws s GLY 59 Ca -0.05 1.38 0.01 0.00 0.00 0.00 0.00 44.72 46.06 3dws s GLY 59 CO -0.06 1.33 -0.03 -0.32 0.00 0.00 0.00 173.10 174.03 3dws s GLY 60 N 0.71 0.38 -0.33 0.20 0.00 -0.97 -4.32 107.32 102.98 3dws s GLY 60 Ca -0.04 0.02 0.03 0.00 0.00 0.00 0.00 44.72 44.72 3dws s GLY 60 CO -0.05 0.49 0.06 0.14 0.00 0.00 0.00 173.10 173.74 3dws s VAL 61 N 0.95 1.85 0.04 1.40 1.01 -0.14 -2.37 120.40 123.14 3dws s VAL 61 Ca -0.11 -2.05 -0.08 0.00 0.00 0.00 0.00 61.98 59.74 3dws s VAL 61 Cb -0.14 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3dws s VAL 61 CO -0.00 -0.62 0.33 0.20 0.00 0.00 0.00 175.10 175.01 3dws s ASN 62 N 1.12 6.57 -0.08 3.32 0.01 0.25 -2.90 114.94 123.23 3dws s ASN 62 Ca 0.10 0.68 0.03 0.00 -0.71 0.00 0.00 52.86 52.97 3dws s ASN 62 Cb -0.18 -2.14 -0.02 0.00 0.41 0.00 0.00 41.25 39.32 3dws s ASN 62 CO -0.13 0.23 -0.17 0.12 -1.51 0.00 0.00 177.10 175.63 3dws s PHE 63 N -1.32 2.65 0.04 2.20 5.36 -0.84 -1.57 117.98 124.49 3dws s PHE 63 Ca 0.29 -0.50 0.02 0.00 -0.96 0.00 0.00 56.93 55.78 3dws s PHE 63 Cb -0.14 -1.69 -0.02 0.00 -0.34 0.00 0.00 43.02 40.83 3dws s PHE 63 CO 0.17 -0.08 -0.08 -1.12 -1.46 0.00 0.00 175.22 172.65 3dws s SER 64 N -0.19 0.90 -0.12 6.13 0.01 -0.81 -0.38 113.70 119.23 3dws s SER 64 Ca -0.01 -0.49 -0.04 0.00 1.31 0.00 0.00 55.95 56.73 3dws s SER 64 Cb -0.13 0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.16 3dws s SER 64 CO 0.03 -0.15 0.12 -2.28 0.41 0.00 0.00 173.24 171.37 3dws s HIS 65 N -1.18 -0.01 -0.17 2.43 2.46 0.17 -1.47 115.29 117.52 3dws s HIS 65 Ca -0.08 0.16 -0.01 0.00 0.47 0.00 0.00 55.06 55.60 3dws s HIS 65 Cb -0.09 -0.47 -0.01 0.00 -0.13 0.00 0.00 32.58 31.88 3dws s HIS 65 CO 0.00 -0.37 -0.11 0.08 -2.47 0.00 0.00 174.74 171.88 3dws s VAL 66 N 2.21 3.06 0.34 0.89 1.01 0.22 -1.26 120.40 126.87 3dws s VAL 66 Ca 0.04 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.45 3dws s VAL 66 Cb -0.14 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 3dws s VAL 66 CO -0.07 0.49 0.46 -0.31 0.00 0.00 0.00 175.10 175.67 3dws s TYR 67 N 0.83 3.08 -0.29 5.22 1.51 -1.19 -1.11 117.35 125.40 3dws s TYR 67 Ca -0.03 -0.23 -0.27 0.00 -1.01 0.00 0.00 57.07 55.52 3dws s TYR 67 Cb -0.15 -1.99 0.19 0.00 -0.11 0.00 0.00 41.96 39.90 3dws s TYR 67 CO 0.01 -0.01 1.39 0.20 -1.11 0.00 0.00 175.55 176.03 3dws s GLY 68 N -4.16 0.20 -0.43 0.71 0.00 -1.07 -4.51 107.32 98.05 3dws s GLY 68 Ca 0.45 3.13 -0.16 0.00 0.00 0.00 0.00 44.72 48.14 3dws s GLY 68 CO 0.31 1.46 0.37 0.54 0.00 0.00 0.00 173.10 175.78 3dws s LYS 69 N -0.57 3.01 0.00 2.90 1.02 -1.26 -1.78 119.74 123.06 3dws s LYS 69 Ca 0.08 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 55.05 3dws s LYS 69 Cb -0.03 -4.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.27 3dws s LYS 69 CO -0.11 -0.85 0.00 0.41 -0.92 0.00 0.00 175.35 173.88 3dws n GLY 70 N 5.16 -2.85 3.75 -3.33 0.00 0.70 -4.95 105.19 103.66 3dws n GLY 70 Ca -0.10 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 3dws n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dws s LEU 71 N -1.23 3.85 0.00 0.99 1.43 0.18 -4.86 118.68 119.04 3dws s LEU 71 Ca 0.00 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 3dws s LEU 71 Cb 0.00 -4.33 0.00 0.00 0.03 0.00 0.00 46.19 41.89 3dws s LEU 71 CO 0.00 -1.43 0.00 -2.65 0.23 0.00 0.00 176.35 172.50 3dws n PRO 72 N -1.01 0.00 0.00 1.29 -0.02 -1.26 -4.84 135.00 129.16 3dws n PRO 72 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3dws n PRO 72 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 3dws n PRO 72 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3dws n SER 74 N 0.00 0.00 0.20 2.55 3.41 -1.26 -3.29 113.62 115.23 3dws n SER 74 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 3dws n SER 74 Cb 0.00 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.43 3dws n SER 74 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3dws h SER 75 N 0.00 0.00 1.05 4.04 0.02 -1.93 -3.13 113.55 113.60 3dws h SER 75 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dws h SER 75 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3dws h SER 75 CO 0.00 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.04 3dws n THR 76 N -2.76 0.70 0.11 -2.27 -2.24 -1.21 0.19 114.28 106.80 3dws n THR 76 Ca 0.03 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.57 3dws n THR 76 Cb 0.36 -0.89 -0.14 0.00 -2.10 0.00 0.00 70.33 67.56 3dws n THR 76 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3dws h GLU 77 N 0.00 0.58 0.07 -0.78 4.22 -1.89 -3.04 114.58 113.73 3dws h GLU 77 Ca 0.00 -0.85 -0.33 0.00 0.08 0.00 0.00 59.36 58.26 3dws h GLU 77 Cb 0.53 0.30 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 3dws h GLU 77 CO 0.00 1.39 -1.83 -0.09 -2.18 0.00 0.00 179.01 176.31 3dws h ARG 78 N 0.18 0.15 -2.43 1.92 2.43 -1.64 -3.42 114.38 111.58 3dws h ARG 78 Ca -0.21 -0.26 -0.60 0.00 -0.81 0.00 0.00 59.98 58.10 3dws h ARG 78 Cb 1.99 0.10 -0.41 0.00 -0.42 0.00 0.00 29.97 31.23 3dws h ARG 78 CO 0.25 0.91 -0.73 0.72 -1.51 0.00 0.00 179.97 179.60 3dws n HIS 79 N -3.30 2.24 -0.04 2.20 8.25 0.51 -4.94 115.22 120.14 3dws n HIS 79 Ca -0.24 -3.99 -0.16 0.00 -0.26 0.00 0.00 57.72 53.07 3dws n HIS 79 Cb 1.05 -0.44 -0.07 0.00 1.12 0.00 0.00 29.99 31.65 3dws n HIS 79 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3dws h PRO 80 N 4.66 0.70 -0.17 -0.41 0.13 -1.69 -3.33 132.00 131.89 3dws h PRO 80 Ca 0.17 -0.53 0.05 0.00 -0.87 0.00 0.00 66.00 64.82 3dws h PRO 80 Cb 0.76 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 3dws h PRO 80 CO 0.68 1.15 0.24 0.38 -0.23 0.00 0.00 178.00 180.22 3dws h ASP 81 N 0.40 0.00 -1.42 1.44 -0.00 -1.92 -2.65 116.42 112.27 3dws h ASP 81 Ca -0.03 0.00 -0.49 0.00 -0.00 0.00 0.00 57.03 56.51 3dws h ASP 81 Cb 1.23 0.00 -0.41 0.00 -0.00 0.00 0.00 39.33 40.15 3dws h ASP 81 CO 0.13 0.00 -0.94 2.30 -0.00 0.00 0.00 179.24 180.73 3dws n ILE 82 N -3.56 1.71 0.07 4.15 -5.35 -1.25 -4.91 119.36 110.22 3dws n ILE 82 Ca 0.01 -4.24 -0.13 0.00 -0.27 0.00 0.00 62.75 58.12 3dws n ILE 82 Cb 0.36 -0.45 -0.14 0.00 -1.74 0.00 0.00 39.64 37.67 3dws n ILE 82 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dws h ALA 83 N 2.81 0.26 -0.61 -1.28 0.00 -1.57 -3.31 119.26 115.55 3dws h ALA 83 Ca 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.03 3dws h ALA 83 Cb 0.99 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3dws h ALA 83 CO 0.69 1.13 0.00 0.41 0.00 0.00 0.00 179.25 181.48 3dws n GLY 84 N 1.52 1.86 3.83 0.00 0.00 -1.26 0.47 105.19 111.61 3dws n GLY 84 Ca -0.09 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 3dws n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dws s ASN 86 N -2.71 6.91 0.05 0.00 0.01 -1.25 -0.22 114.94 117.74 3dws s ASN 86 Ca 0.61 2.19 0.04 0.00 -0.71 0.00 0.00 52.86 54.99 3dws s ASN 86 Cb -0.10 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 38.95 3dws s ASN 86 CO 0.25 -0.60 -0.12 0.72 -1.51 0.00 0.00 177.10 175.84 3dws s PHE 87 N 1.28 1.05 -0.07 2.20 -0.71 -0.73 -0.86 117.98 120.14 3dws s PHE 87 Ca 0.63 -0.44 0.04 0.00 -1.04 0.00 0.00 56.93 56.12 3dws s PHE 87 Cb -0.34 -0.60 0.00 0.00 -1.21 0.00 0.00 43.02 40.87 3dws s PHE 87 CO 0.29 0.01 -0.19 -1.21 -1.34 0.00 0.00 175.22 172.79 3dws s GLU 88 N -1.52 2.28 0.16 1.99 2.02 0.04 -2.61 118.70 121.05 3dws s GLU 88 Ca -0.03 -0.68 0.03 0.00 0.02 0.00 0.00 54.97 54.31 3dws s GLU 88 Cb -0.09 -1.83 -0.05 0.00 0.10 0.00 0.00 34.13 32.26 3dws s GLU 88 CO 0.01 0.17 -0.06 0.00 0.02 0.00 0.00 175.26 175.41 3dws s ALA 89 N 0.30 1.46 0.00 5.21 0.00 -0.27 -0.67 121.76 127.78 3dws s ALA 89 Ca -0.12 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.29 3dws s ALA 89 Cb -0.15 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3dws s ALA 89 CO 0.05 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.04 3dws n GLY 91 N -0.23 2.88 3.46 0.00 0.00 -0.54 0.72 105.19 111.47 3dws n GLY 91 Ca -0.09 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 3dws n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dws s VAL 92 N -2.00 3.18 -0.03 1.61 1.01 0.52 -1.93 120.40 122.77 3dws s VAL 92 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3dws s VAL 92 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 34.10 3dws s VAL 92 CO 0.00 0.57 -0.09 -0.55 0.00 0.00 0.00 175.10 175.03 3dws s SER 93 N -0.41 1.27 0.00 3.32 0.15 -0.61 -1.61 113.70 115.81 3dws s SER 93 Ca 0.05 -0.20 -0.04 0.00 0.70 0.00 0.00 55.95 56.46 3dws s SER 93 Cb -0.12 -0.35 -0.00 0.00 -1.71 0.00 0.00 66.02 63.83 3dws s SER 93 CO 0.02 0.07 0.07 -1.48 1.20 0.00 0.00 173.24 173.12 3dws s LEU 94 N 0.21 1.82 -0.03 3.45 0.05 0.43 -0.58 118.68 124.02 3dws s LEU 94 Ca -0.04 -0.23 -0.01 0.00 0.05 0.00 0.00 54.13 53.91 3dws s LEU 94 Cb -0.09 0.40 0.03 0.00 -2.05 0.00 0.00 46.19 44.48 3dws s LEU 94 CO 0.01 -0.28 0.04 -0.69 -0.55 0.00 0.00 176.35 174.88 3dws s VAL 95 N -1.12 -0.04 -0.20 1.48 1.01 -1.00 -1.32 120.40 119.22 3dws s VAL 95 Ca -0.12 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3dws s VAL 95 Cb -0.07 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.20 3dws s VAL 95 CO 0.00 0.13 -0.16 -0.63 0.00 0.00 0.00 175.10 174.44 3dws s ILE 96 N 1.43 2.32 -0.50 2.22 -1.09 0.46 -2.30 121.20 123.74 3dws s ILE 96 Ca -0.04 -0.96 -0.06 0.00 -2.23 0.00 0.00 60.65 57.36 3dws s ILE 96 Cb -0.13 -2.04 0.13 0.00 -1.58 0.00 0.00 42.46 38.84 3dws s ILE 96 CO -0.03 0.44 0.33 -1.00 -1.23 0.00 0.00 174.94 173.45 3dws s HIS 97 N 1.30 3.50 0.72 3.97 3.76 0.52 -2.11 115.29 126.96 3dws s HIS 97 Ca 0.03 -2.29 -0.13 0.00 -0.15 0.00 0.00 55.06 52.52 3dws s HIS 97 Cb -0.14 -3.34 0.03 0.00 1.11 0.00 0.00 32.58 30.24 3dws s HIS 97 CO -0.10 -0.95 1.12 -2.14 -0.85 0.00 0.00 174.74 171.82 3dws s PRO 98 N 0.89 2.39 0.05 8.40 0.02 -1.26 -2.23 135.00 143.26 3dws s PRO 98 Ca 0.10 1.40 -0.20 0.00 0.02 0.00 0.00 61.00 62.31 3dws s PRO 98 Cb -0.23 -1.90 -0.13 0.00 0.02 0.00 0.00 34.50 32.27 3dws s PRO 98 CO -0.03 -1.57 1.42 -0.22 -0.33 0.00 0.00 177.00 176.27 3dws h LYS 99 N -0.51 0.33 -6.28 5.54 3.64 -1.33 -3.42 116.57 114.53 3dws h LYS 99 Ca -0.46 -0.14 -0.55 0.00 -1.27 0.00 0.00 60.65 58.23 3dws h LYS 99 Cb 1.25 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 3dws h LYS 99 CO 0.52 0.63 0.69 1.21 -2.27 0.00 0.00 179.45 180.22 3dws s ASN 100 N -5.96 7.08 0.57 4.20 3.84 -1.26 -4.92 114.94 118.50 3dws s ASN 100 Ca -0.14 1.74 0.27 0.00 0.21 0.00 0.00 52.86 54.93 3dws s ASN 100 Cb 0.06 -2.56 1.56 0.00 -0.55 0.00 0.00 41.25 39.76 3dws s ASN 100 CO 0.74 -0.57 2.08 -0.65 -2.79 0.00 0.00 177.10 175.90 3dws h PRO 101 N 7.45 0.00 0.00 0.43 0.11 -1.89 -1.79 132.00 136.31 3dws h PRO 101 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3dws h PRO 101 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3dws h PRO 101 CO 0.89 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.40 3dws n HIS 102 N -3.99 0.18 -3.36 0.65 8.25 -1.26 -3.87 115.22 111.82 3dws n HIS 102 Ca 0.03 0.06 -0.38 0.00 -0.26 0.00 0.00 57.72 57.16 3dws n HIS 102 Cb 0.37 -0.59 -0.07 0.00 1.12 0.00 0.00 29.99 30.81 3dws n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dws s VAL 103 N -3.03 5.18 0.67 1.59 1.01 -0.67 -4.84 120.40 120.30 3dws s VAL 103 Ca 0.11 0.76 -0.16 0.00 0.00 0.00 0.00 61.98 62.69 3dws s VAL 103 Cb 0.15 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.78 3dws s VAL 103 CO 0.46 0.23 1.18 -2.84 0.00 0.00 0.00 175.10 174.14 3dws s PRO 104 N 1.42 2.54 0.48 2.72 0.02 -1.26 -4.63 135.00 136.28 3dws s PRO 104 Ca 0.20 1.69 -0.22 0.00 0.02 0.00 0.00 61.00 62.69 3dws s PRO 104 Cb -0.15 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.42 3dws s PRO 104 CO 0.08 -1.52 1.20 0.99 -0.33 0.00 0.00 177.00 177.43 3dws s THR 105 N -1.95 2.89 0.06 0.99 2.01 0.43 -4.52 115.64 115.55 3dws s THR 105 Ca 0.74 0.66 -0.00 0.00 0.31 0.00 0.00 61.69 63.40 3dws s THR 105 Cb -0.27 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 3dws s THR 105 CO 0.41 -0.02 -0.04 -0.94 -0.69 0.00 0.00 174.62 173.34 3dws s SER 106 N -1.31 0.63 0.01 3.53 1.04 -0.89 0.02 113.70 116.73 3dws s SER 106 Ca 0.66 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 56.19 3dws s SER 106 Cb -0.31 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.95 3dws s SER 106 CO 0.37 -0.50 -0.03 -2.28 0.98 0.00 0.00 173.24 171.78 3dws s HIS 107 N -3.34 0.22 0.08 5.02 5.65 -1.10 -0.40 115.29 121.43 3dws s HIS 107 Ca 0.04 -0.24 -0.09 0.00 0.25 0.00 0.00 55.06 55.02 3dws s HIS 107 Cb 0.04 -0.14 0.00 0.00 -1.18 0.00 0.00 32.58 31.29 3dws s HIS 107 CO -0.07 -0.07 0.20 0.00 -0.65 0.00 0.00 174.74 174.15 3dws s ALA 108 N -0.65 -0.28 -0.18 1.58 0.00 -0.43 -1.80 121.76 120.00 3dws s ALA 108 Ca -0.06 -0.55 -0.12 0.00 0.00 0.00 0.00 51.96 51.23 3dws s ALA 108 Cb -0.05 0.47 0.06 0.00 0.00 0.00 0.00 23.12 23.60 3dws s ALA 108 CO -0.00 -0.50 0.46 1.21 0.00 0.00 0.00 175.76 176.93 3dws s ASN 109 N -2.77 -0.56 -0.03 0.00 3.04 -0.08 -0.43 114.94 114.11 3dws s ASN 109 Ca 0.04 0.98 0.02 0.00 0.04 0.00 0.00 52.86 53.94 3dws s ASN 109 Cb 0.04 0.89 0.01 0.00 -1.54 0.00 0.00 41.25 40.65 3dws s ASN 109 CO -0.10 -0.19 -0.09 0.68 -3.04 0.00 0.00 177.10 174.36 3dws s VAL 110 N 1.10 0.78 0.16 -5.21 -7.23 -0.63 -0.83 120.40 108.53 3dws s VAL 110 Ca -0.07 -0.34 -0.14 0.00 -1.81 0.00 0.00 61.98 59.62 3dws s VAL 110 Cb -0.07 -0.71 0.02 0.00 0.56 0.00 0.00 36.38 36.19 3dws s VAL 110 CO -0.10 0.25 0.41 0.00 -0.31 0.00 0.00 175.10 175.36 3dws s ARG 111 N 0.34 1.21 -0.10 4.82 1.70 -0.12 -0.35 118.95 126.44 3dws s ARG 111 Ca -0.06 -0.90 -0.05 0.00 -0.47 0.00 0.00 55.73 54.25 3dws s ARG 111 Cb -0.10 0.46 0.05 0.00 -0.57 0.00 0.00 34.95 34.79 3dws s ARG 111 CO 0.01 -0.48 0.24 -1.17 -1.08 0.00 0.00 175.30 172.81 3dws s LEU 112 N -2.88 0.38 -0.11 -1.89 2.96 -1.26 -1.67 118.68 114.22 3dws s LEU 112 Ca 0.09 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 3dws s LEU 112 Cb 0.01 0.70 -0.01 0.00 0.50 0.00 0.00 46.19 47.39 3dws s LEU 112 CO -0.05 -0.17 -0.17 0.12 -1.32 0.00 0.00 176.35 174.76 3dws s PHE 113 N 1.34 2.71 -0.09 5.38 5.36 -0.08 -4.21 117.98 128.39 3dws s PHE 113 Ca -0.09 -0.68 -0.01 0.00 -0.96 0.00 0.00 56.93 55.20 3dws s PHE 113 Cb -0.11 -1.77 0.03 0.00 -0.34 0.00 0.00 43.02 40.83 3dws s PHE 113 CO -0.08 -0.21 -0.04 0.08 -1.46 0.00 0.00 175.22 173.50 3dws s VAL 114 N 0.17 0.73 -0.21 3.12 1.01 0.15 -1.13 120.40 124.24 3dws s VAL 114 Ca -0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 3dws s VAL 114 Cb -0.16 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.42 3dws s VAL 114 CO 0.06 0.31 -0.08 0.00 0.00 0.00 0.00 175.10 175.39 3dws s ALA 115 N 1.72 2.68 -0.21 5.51 0.00 0.21 -0.78 121.76 130.91 3dws s ALA 115 Ca 0.03 -1.19 -0.27 0.00 0.00 0.00 0.00 51.96 50.52 3dws s ALA 115 Cb -0.13 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 3dws s ALA 115 CO -0.06 -0.42 0.95 -2.00 0.00 0.00 0.00 175.76 174.23 3dws s GLU 116 N 1.42 4.27 0.01 0.00 2.12 -0.04 -1.23 118.70 125.25 3dws s GLU 116 Ca 0.05 1.21 0.00 0.00 0.36 0.00 0.00 54.97 56.60 3dws s GLU 116 Cb -0.14 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 3dws s GLU 116 CO -0.06 -0.51 0.07 1.03 -0.54 0.00 0.00 175.26 175.25 3dws s ARG 117 N 2.78 3.02 -0.55 4.30 0.52 -1.26 -3.89 118.95 123.88 3dws s ARG 117 Ca 0.41 -0.52 -0.27 0.00 -0.52 0.00 0.00 55.73 54.83 3dws s ARG 117 Cb -0.16 -2.83 -0.00 0.00 0.52 0.00 0.00 34.95 32.49 3dws s ARG 117 CO 0.09 0.64 1.60 -2.00 0.02 0.00 0.00 175.30 175.65 3dws s GLU 118 N -1.79 3.10 0.00 3.54 2.56 -1.26 -3.98 118.70 120.88 3dws s GLU 118 Ca 0.23 0.62 0.00 0.00 0.00 0.00 0.00 54.97 55.82 3dws s GLU 118 Cb -0.12 -4.22 0.00 0.00 2.00 0.00 0.00 34.13 31.79 3dws s GLU 118 CO 0.14 -2.17 0.00 0.41 -0.56 0.00 0.00 175.26 173.08 3dws n GLY 119 N 5.42 2.43 3.85 -1.50 0.00 -1.26 -5.01 105.19 109.11 3dws n GLY 119 Ca 0.16 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 3dws n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dws s LYS 120 N 0.00 3.94 0.76 1.61 3.01 -1.26 -5.05 119.74 122.75 3dws s LYS 120 Ca 0.00 0.82 -0.14 0.00 -1.01 0.00 0.00 55.97 55.63 3dws s LYS 120 Cb 0.00 -2.24 0.05 0.00 -1.01 0.00 0.00 37.83 34.64 3dws s LYS 120 CO 0.00 -0.14 1.22 -1.21 0.51 0.00 0.00 175.35 175.73 3dws s GLU 121 N -3.80 1.94 0.45 1.68 0.41 -1.26 -4.25 118.70 113.88 3dws s GLU 121 Ca 0.57 1.79 -0.23 0.00 -0.41 0.00 0.00 54.97 56.69 3dws s GLU 121 Cb -0.10 -1.81 -0.07 0.00 -1.78 0.00 0.00 34.13 30.37 3dws s GLU 121 CO 0.28 -2.00 1.16 -1.25 -0.49 0.00 0.00 175.26 172.96 3dws s PRO 122 N -3.96 3.79 0.10 0.39 0.04 -1.26 -4.66 135.00 129.43 3dws s PRO 122 Ca 0.75 1.77 -0.15 0.00 0.04 0.00 0.00 61.00 63.41 3dws s PRO 122 Cb -0.30 -2.43 -0.07 0.00 0.04 0.00 0.00 34.50 31.75 3dws s PRO 122 CO 0.47 -0.53 0.51 0.54 0.04 0.00 0.00 177.00 178.03 3dws s VAL 123 N -1.54 4.89 0.06 -0.36 0.11 -0.37 -4.93 120.40 118.26 3dws s VAL 123 Ca 0.63 0.86 -0.26 0.00 -2.93 0.00 0.00 61.98 60.28 3dws s VAL 123 Cb -0.29 -3.75 0.07 0.00 -1.53 0.00 0.00 36.38 30.88 3dws s VAL 123 CO 0.35 0.37 0.61 -1.66 -3.33 0.00 0.00 175.10 171.44 3dws s TRP 124 N -1.32 -0.56 -0.01 1.54 1.48 -1.26 0.68 118.94 119.48 3dws s TRP 124 Ca 0.33 0.66 -0.28 0.00 -1.06 0.00 0.00 56.10 55.75 3dws s TRP 124 Cb -0.16 0.46 0.06 0.00 -1.16 0.00 0.00 33.47 32.67 3dws s TRP 124 CO 0.18 -0.72 0.62 1.67 -4.06 0.00 0.00 176.95 174.65 3dws s TRP 125 N -2.52 -0.58 0.61 1.66 -2.14 -0.29 -4.73 118.94 110.96 3dws s TRP 125 Ca -0.05 0.90 0.02 0.00 2.66 0.00 0.00 56.10 59.64 3dws s TRP 125 Cb -0.01 0.39 0.08 0.00 -3.10 0.00 0.00 33.47 30.83 3dws s TRP 125 CO -0.02 -0.62 0.85 -0.06 -2.66 0.00 0.00 176.95 174.44 3dws s PHE 126 N -1.61 2.13 -0.00 1.66 0.40 -0.35 -0.90 117.98 119.30 3dws s PHE 126 Ca -0.09 -0.25 -0.29 0.00 -0.60 0.00 0.00 56.93 55.69 3dws s PHE 126 Cb -0.01 -2.74 0.10 0.00 0.51 0.00 0.00 43.02 40.88 3dws s PHE 126 CO 0.06 -1.22 0.96 0.20 0.70 0.00 0.00 175.22 175.92 3dws s GLY 127 N -4.58 -0.40 0.00 4.36 0.00 -0.67 -1.93 107.32 104.10 3dws s GLY 127 Ca 0.61 0.92 0.00 0.00 0.00 0.00 0.00 44.72 46.26 3dws s GLY 127 CO 0.40 0.29 0.00 0.61 0.00 0.00 0.00 173.10 174.41 3dws n GLY 128 N -0.28 0.16 0.00 0.20 0.00 -0.31 -0.95 105.19 104.02 3dws n GLY 128 Ca -0.07 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3dws n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dws n GLY 129 N 0.00 0.67 3.27 -0.02 0.00 -0.01 -1.20 105.19 107.90 3dws n GLY 129 Ca 0.00 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 3dws n GLY 129 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dws s PHE 130 N -1.37 0.16 0.19 1.61 -0.12 -0.90 -0.90 117.98 116.66 3dws s PHE 130 Ca 0.00 -0.56 -0.18 0.00 -0.05 0.00 0.00 56.93 56.14 3dws s PHE 130 Cb 0.00 -0.00 0.03 0.00 -0.63 0.00 0.00 43.02 42.42 3dws s PHE 130 CO 0.00 -0.62 0.53 0.16 -0.05 0.00 0.00 175.22 175.24 3dws s ASP 131 N -2.88 -0.28 -0.07 1.98 1.47 -0.74 -0.47 116.67 115.67 3dws s ASP 131 Ca 0.08 -0.44 0.02 0.00 1.18 0.00 0.00 52.55 53.39 3dws s ASP 131 Cb 0.04 0.58 0.01 0.00 -0.34 0.00 0.00 42.92 43.22 3dws s ASP 131 CO -0.08 -1.05 -0.13 -0.22 0.68 0.00 0.00 175.17 174.36 3dws s LEU 132 N -2.86 1.68 -0.65 2.11 2.96 -0.96 -2.69 118.68 118.27 3dws s LEU 132 Ca 0.08 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 53.71 3dws s LEU 132 Cb -0.01 -0.90 0.16 0.00 0.50 0.00 0.00 46.19 45.94 3dws s LEU 132 CO -0.03 0.04 0.43 -0.89 -1.32 0.00 0.00 176.35 174.58 3dws s THR 133 N 0.69 2.69 0.73 3.68 2.01 0.10 -0.23 115.64 125.32 3dws s THR 133 Ca -0.14 -3.97 -0.12 0.00 0.31 0.00 0.00 61.69 57.78 3dws s THR 133 Cb -0.16 -2.79 0.04 0.00 0.01 0.00 0.00 72.50 69.60 3dws s THR 133 CO 0.03 -0.97 1.09 -2.16 -0.69 0.00 0.00 174.62 171.93 3dws s PRO 134 N -1.10 2.48 -0.04 4.92 0.04 -1.26 -0.43 135.00 139.61 3dws s PRO 134 Ca 0.23 1.21 -0.09 0.00 0.04 0.00 0.00 61.00 62.40 3dws s PRO 134 Cb -0.09 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3dws s PRO 134 CO -0.13 -1.48 -0.17 0.66 0.04 0.00 0.00 177.00 175.92 3dws n TYR 135 N -3.16 0.00 -3.55 0.56 4.01 -1.26 -4.81 117.16 108.95 3dws n TYR 135 Ca 0.09 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.42 3dws n TYR 135 Cb 0.53 -0.25 -0.07 0.00 -0.31 0.00 0.00 39.34 39.23 3dws n TYR 135 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3dws s TYR 136 N -2.45 3.50 0.95 -0.72 2.02 -1.25 -4.76 117.35 114.65 3dws s TYR 136 Ca -0.15 -2.16 -0.12 0.00 -0.37 0.00 0.00 57.07 54.28 3dws s TYR 136 Cb 0.02 -3.48 0.16 0.00 -0.40 0.00 0.00 41.96 38.26 3dws s TYR 136 CO 0.21 -0.95 1.09 0.00 -1.57 0.00 0.00 175.55 174.33 3dws s ALA 137 N 0.67 1.14 -0.05 3.71 0.00 -1.26 -4.78 121.76 121.19 3dws s ALA 137 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 3dws s ALA 137 Cb -0.21 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.73 3dws s ALA 137 CO -0.03 -2.69 0.07 0.08 0.00 0.00 0.00 175.76 173.18 3dws s VAL 138 N -2.84 -0.12 0.24 0.00 1.01 -1.26 -5.06 120.40 112.37 3dws s VAL 138 Ca 0.65 0.40 -0.16 0.00 0.00 0.00 0.00 61.98 62.87 3dws s VAL 138 Cb -0.20 -0.17 0.27 0.00 0.00 0.00 0.00 36.38 36.28 3dws s VAL 138 CO 0.58 0.16 1.56 -0.08 0.00 0.00 0.00 175.10 177.32 3dws h GLU 139 N 8.44 -0.01 -0.36 2.72 4.57 -2.00 -0.13 114.58 127.81 3dws h GLU 139 Ca -0.12 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3dws h GLU 139 Cb 1.12 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 3dws h GLU 139 CO 0.16 -0.01 0.21 1.49 -1.18 0.00 0.00 179.01 179.68 3dws h GLU 140 N -0.01 0.48 -0.05 1.92 4.81 -1.99 -1.70 114.58 118.04 3dws h GLU 140 Ca 0.36 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 3dws h GLU 140 Cb 0.61 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 3dws h GLU 140 CO -0.97 0.34 -0.04 -0.44 -0.73 0.00 0.00 179.01 177.17 3dws h ASP 141 N 0.49 0.11 -0.27 1.04 3.32 -1.46 -1.94 116.42 117.71 3dws h ASP 141 Ca 0.13 -0.46 0.05 0.00 0.02 0.00 0.00 57.03 56.77 3dws h ASP 141 Cb -0.01 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 3dws h ASP 141 CO -0.02 0.55 -0.01 0.00 -1.72 0.00 0.00 179.24 178.04 3dws h ARG 143 N 0.07 -0.02 -0.91 0.00 2.43 -1.36 -1.26 114.38 113.33 3dws h ARG 143 Ca 0.13 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3dws h ARG 143 Cb 0.18 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3dws h ARG 143 CO -0.23 -0.01 0.59 -0.44 -1.51 0.00 0.00 179.97 178.37 3dws h ASP 144 N -0.02 1.05 0.27 -3.80 3.32 -1.08 0.84 116.42 117.00 3dws h ASP 144 Ca 0.07 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3dws h ASP 144 Cb 0.13 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3dws h ASP 144 CO -0.15 0.77 -0.22 0.15 -1.72 0.00 0.00 179.24 178.07 3dws h PHE 145 N 1.24 -0.58 -0.33 4.55 3.57 -0.57 -1.61 116.94 123.20 3dws h PHE 145 Ca 0.33 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.73 3dws h PHE 145 Cb -0.13 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3dws h PHE 145 CO -0.01 -0.33 -0.22 0.45 -2.23 0.00 0.00 178.31 175.97 3dws h HIS 146 N -0.50 0.72 -0.78 0.41 3.86 -0.99 -2.70 115.15 115.17 3dws h HIS 146 Ca -0.01 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 3dws h HIS 146 Cb 0.45 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 3dws h HIS 146 CO -0.14 0.81 0.49 0.37 0.86 0.00 0.00 177.93 180.32 3dws h GLN 147 N 0.57 1.05 -0.48 2.45 5.75 -0.64 0.14 115.11 123.95 3dws h GLN 147 Ca 0.08 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3dws h GLN 147 Cb 0.68 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 3dws h GLN 147 CO 0.05 0.72 0.18 0.28 -2.65 0.00 0.00 178.83 177.41 3dws h VAL 148 N 1.07 1.21 0.04 2.39 2.07 -0.98 -0.72 116.25 121.33 3dws h VAL 148 Ca 0.28 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3dws h VAL 148 Cb -0.08 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3dws h VAL 148 CO -0.06 0.25 -0.02 0.00 0.02 0.00 0.00 177.57 177.76 3dws h ALA 149 N 1.03 -0.05 -0.74 1.67 0.00 -1.07 -1.10 119.26 119.00 3dws h ALA 149 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3dws h ALA 149 Cb 0.21 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3dws h ALA 149 CO -0.01 -0.53 0.44 0.37 0.00 0.00 0.00 179.25 179.52 3dws h GLN 150 N -0.06 1.02 -0.31 0.00 4.15 -0.91 -2.25 115.11 116.73 3dws h GLN 150 Ca -0.01 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 3dws h GLN 150 Cb 0.05 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 3dws h GLN 150 CO 0.01 0.73 0.11 -0.44 -1.93 0.00 0.00 178.83 177.31 3dws h ASP 151 N 1.02 0.45 0.45 -0.69 3.32 -0.92 -1.53 116.42 118.52 3dws h ASP 151 Ca 0.27 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3dws h ASP 151 Cb -0.02 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3dws h ASP 151 CO -0.05 0.51 -0.13 0.17 -1.72 0.00 0.00 179.24 178.02 3dws h LEU 152 N 0.35 0.00 0.05 1.55 8.10 -1.06 -2.85 115.31 121.46 3dws h LEU 152 Ca 0.10 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 57.84 3dws h LEU 152 Cb 0.22 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.42 3dws h LEU 152 CO -0.01 0.13 -1.20 0.00 -4.11 0.00 0.00 178.44 173.26 3dws h LYS 154 N 0.03 0.01 0.00 0.00 1.57 -1.04 -0.34 116.57 116.81 3dws h LYS 154 Ca -0.10 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3dws h LYS 154 Cb 1.88 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.19 3dws h LYS 154 CO 0.15 0.01 0.00 -2.30 -0.57 0.00 0.00 179.45 176.74 3dws n PRO 155 N -5.53 0.14 -0.00 3.15 -0.02 -1.26 -3.28 135.00 128.19 3dws n PRO 155 Ca 0.19 0.48 0.10 0.00 -2.02 0.00 0.00 63.50 62.26 3dws n PRO 155 Cb 0.63 -1.83 -0.12 0.00 -0.02 0.00 0.00 33.50 32.15 3dws n PRO 155 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3dws n PHE 156 N -2.11 0.00 0.00 6.00 3.72 -0.14 -5.04 117.46 119.89 3dws n PHE 156 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3dws n PHE 156 Cb 0.14 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 3dws n PHE 156 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dws n GLY 157 N 1.47 3.85 0.15 1.37 0.00 -1.21 -4.94 105.19 105.89 3dws n GLY 157 Ca 0.03 -0.97 0.01 0.00 0.00 0.00 0.00 46.02 45.09 3dws n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dws h ALA 158 N 0.00 1.05 -0.02 4.61 0.00 -1.89 -3.23 119.26 119.78 3dws h ALA 158 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3dws h ALA 158 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3dws h ALA 158 CO 0.00 0.67 -0.28 -0.40 0.00 0.00 0.00 179.25 179.24 3dws n ASP 159 N -3.80 2.06 -0.09 0.00 5.75 -1.26 -4.59 116.55 114.62 3dws n ASP 159 Ca -0.01 -1.53 -0.07 0.00 -0.01 0.00 0.00 54.79 53.16 3dws n ASP 159 Cb 0.56 0.26 -0.00 0.00 -1.03 0.00 0.00 41.12 40.91 3dws n ASP 159 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 3dws h VAL 160 N 2.80 0.95 0.36 2.12 2.07 -1.88 -1.64 116.25 121.03 3dws h VAL 160 Ca 0.00 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3dws h VAL 160 Cb 0.75 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3dws h VAL 160 CO 0.00 0.05 -0.17 0.22 0.02 0.00 0.00 177.57 177.69 3dws h TYR 161 N 0.28 -0.45 -0.52 1.57 3.20 -1.82 -2.39 116.97 116.83 3dws h TYR 161 Ca 0.13 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.08 3dws h TYR 161 Cb 0.08 0.15 -0.10 0.00 1.54 0.00 0.00 36.73 38.40 3dws h TYR 161 CO -0.12 -0.16 -0.38 0.00 -1.64 0.00 0.00 178.16 175.86 3dws h ALA 162 N -0.14 -0.21 0.05 1.82 0.00 -1.82 0.71 119.26 119.66 3dws h ALA 162 Ca -0.05 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dws h ALA 162 Cb 0.49 0.84 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3dws h ALA 162 CO 0.08 -0.76 -0.16 0.00 0.00 0.00 0.00 179.25 178.41 3dws h ARG 163 N -0.22 -0.28 0.00 0.00 3.08 -1.29 -0.55 114.38 115.11 3dws h ARG 163 Ca 0.19 0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.13 3dws h ARG 163 Cb 0.56 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 3dws h ARG 163 CO -0.64 -0.19 -0.65 0.74 -1.07 0.00 0.00 179.97 178.17 3dws h PHE 164 N -0.29 0.00 -0.13 3.04 0.04 -0.98 -1.25 116.94 117.37 3dws h PHE 164 Ca 0.04 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3dws h PHE 164 Cb 0.33 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 3dws h PHE 164 CO -0.19 0.63 -0.00 -0.22 -0.60 0.00 0.00 178.31 177.93 3dws h LYS 165 N 0.00 0.23 -0.66 1.51 3.11 0.51 -1.26 116.57 120.01 3dws h LYS 165 Ca -0.01 -0.07 0.01 0.00 -2.81 0.00 0.00 60.65 57.77 3dws h LYS 165 Cb 1.49 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 32.66 3dws h LYS 165 CO 0.08 0.47 0.44 0.78 -2.81 0.00 0.00 179.45 178.41 3dws h GLY 166 N -0.04 0.92 1.06 5.01 0.00 -1.04 -1.87 103.07 107.12 3dws h GLY 166 Ca 0.04 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.89 3dws h GLY 166 CO 0.01 0.32 -0.31 -0.25 0.00 0.00 0.00 176.54 176.30 3dws h TRP 167 N 0.87 1.01 -0.66 5.60 2.91 -1.10 -1.49 115.95 123.09 3dws h TRP 167 Ca 0.25 -0.29 0.05 0.00 1.13 0.00 0.00 58.89 60.03 3dws h TRP 167 Cb -0.05 -0.22 -0.05 0.00 -0.51 0.00 0.00 29.16 28.33 3dws h TRP 167 CO -0.00 1.08 0.37 0.00 -1.03 0.00 0.00 178.44 178.86 3dws h ASP 169 N 0.69 1.09 -0.28 0.00 3.32 -0.66 -1.95 116.42 118.63 3dws h ASP 169 Ca 0.29 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 3dws h ASP 169 Cb 0.16 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3dws h ASP 169 CO -0.17 0.98 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.74 3dws h GLU 170 N 1.14 0.67 0.32 3.56 5.08 -0.90 -3.36 114.58 121.09 3dws h GLU 170 Ca 0.25 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3dws h GLU 170 Cb 0.25 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3dws h GLU 170 CO -0.02 0.96 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.88 3dws h TYR 171 N 0.41 -0.40 -0.72 4.33 3.20 -0.80 -3.36 116.97 119.63 3dws h TYR 171 Ca 0.05 -0.01 -0.72 0.00 3.14 0.00 0.00 58.73 61.18 3dws h TYR 171 Cb 0.83 0.13 -0.09 0.00 1.54 0.00 0.00 36.73 39.14 3dws h TYR 171 CO 0.07 -0.06 2.52 1.19 -1.64 0.00 0.00 178.16 180.25 3dws n PHE 172 N -5.11 3.62 -3.81 -3.82 3.72 -0.74 -4.86 117.46 106.47 3dws n PHE 172 Ca -0.09 -2.93 -0.13 0.00 -0.05 0.00 0.00 57.45 54.25 3dws n PHE 172 Cb 0.27 -2.35 -0.14 0.00 -0.94 0.00 0.00 39.48 36.32 3dws n PHE 172 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3dws s PHE 173 N 2.33 -0.12 -0.57 1.38 5.36 -1.26 -1.84 117.98 123.26 3dws s PHE 173 Ca 0.45 0.33 -0.13 0.00 -0.96 0.00 0.00 56.93 56.62 3dws s PHE 173 Cb 0.10 -0.01 0.14 0.00 -0.34 0.00 0.00 43.02 42.91 3dws s PHE 173 CO -0.03 -0.09 0.49 0.42 -1.46 0.00 0.00 175.22 174.55 3dws s ILE 174 N 0.40 4.91 0.27 3.12 1.01 0.24 -4.91 121.20 126.24 3dws s ILE 174 Ca -0.03 -1.79 -0.01 0.00 0.00 0.00 0.00 60.65 58.82 3dws s ILE 174 Cb -0.04 -4.15 0.13 0.00 0.01 0.00 0.00 42.46 38.40 3dws s ILE 174 CO -0.02 -0.87 1.79 -0.65 0.00 0.00 0.00 174.94 175.19 3dws h PRO 175 N 8.52 0.75 0.00 2.79 0.11 -1.96 0.91 132.00 143.12 3dws h PRO 175 Ca -0.20 -0.19 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 3dws h PRO 175 Cb 1.08 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3dws h PRO 175 CO 0.93 0.75 -0.00 0.10 -0.21 0.00 0.00 178.00 179.57 3dws h TYR 176 N 0.71 0.00 -0.17 0.65 -0.00 -1.96 -2.58 116.97 113.62 3dws h TYR 176 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.87 3dws h TYR 176 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.14 3dws h TYR 176 CO 0.02 0.00 0.00 0.54 -0.00 0.00 0.00 178.16 178.73 3dws n ARG 177 N -3.10 1.72 -4.08 0.10 1.74 -0.94 -5.01 116.66 107.09 3dws n ARG 177 Ca 0.00 -1.72 -0.38 0.00 -0.77 0.00 0.00 57.85 54.99 3dws n ARG 177 Cb 0.29 -1.33 -0.01 0.00 -1.02 0.00 0.00 32.46 30.38 3dws n ARG 177 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3dws n ASN 178 N 0.93 -2.43 -3.72 0.55 5.15 0.25 -4.94 115.26 111.03 3dws n ASN 178 Ca 0.12 -1.23 -0.12 0.00 -0.60 0.00 0.00 54.58 52.75 3dws n ASN 178 Cb 0.43 -2.03 -0.11 0.00 -0.53 0.00 0.00 39.78 37.55 3dws n ASN 178 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3dws s GLU 179 N -7.14 0.37 0.61 1.20 2.12 -0.78 -4.99 118.70 110.09 3dws s GLU 179 Ca 0.30 0.63 -0.16 0.00 0.36 0.00 0.00 54.97 56.10 3dws s GLU 179 Cb -0.15 0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.27 3dws s GLU 179 CO 0.96 -0.11 1.08 0.00 -0.54 0.00 0.00 175.26 176.64 3dws s ALA 180 N 0.87 2.64 -0.01 6.30 0.00 -1.26 0.80 121.76 131.10 3dws s ALA 180 Ca -0.05 0.46 -0.19 0.00 0.00 0.00 0.00 51.96 52.17 3dws s ALA 180 Cb -0.06 -3.27 -0.31 0.00 0.00 0.00 0.00 23.12 19.48 3dws s ALA 180 CO -0.06 -0.97 0.97 -0.09 0.00 0.00 0.00 175.76 175.60 3dws h ARG 181 N 0.32 0.41 0.00 0.00 2.43 -1.72 -3.45 114.38 112.38 3dws h ARG 181 Ca -0.47 -0.65 0.00 0.00 -0.81 0.00 0.00 59.98 58.06 3dws h ARG 181 Cb 1.23 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 3dws h ARG 181 CO 0.56 1.29 0.00 0.41 -1.51 0.00 0.00 179.97 180.73 3dws n GLY 182 N 1.58 4.89 1.23 2.80 0.00 -1.26 -4.84 105.19 109.59 3dws n GLY 182 Ca -0.14 -1.24 0.10 0.00 0.00 0.00 0.00 46.02 44.73 3dws n GLY 182 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dws n ILE 183 N 0.00 1.01 -2.56 -0.61 -6.64 0.68 -4.82 119.36 106.42 3dws n ILE 183 Ca 0.00 -0.89 0.00 0.00 -1.77 0.00 0.00 62.75 60.09 3dws n ILE 183 Cb 0.00 0.35 0.00 0.00 -1.44 0.00 0.00 39.64 38.55 3dws n ILE 183 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3dws n GLY 184 N 1.41 -1.69 0.00 3.28 0.00 -1.25 -4.88 105.19 102.05 3dws n GLY 184 Ca 0.22 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3dws n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dws n GLY 185 N 0.00 -0.39 3.34 -0.02 0.00 -1.26 -2.26 105.19 104.60 3dws n GLY 185 Ca 0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 3dws n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dws s LEU 186 N 0.00 2.24 -0.15 0.99 1.43 0.38 -4.05 118.68 119.52 3dws s LEU 186 Ca 0.00 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.33 3dws s LEU 186 Cb 0.00 -1.18 0.05 0.00 0.03 0.00 0.00 46.19 45.09 3dws s LEU 186 CO 0.00 0.20 0.39 0.12 0.23 0.00 0.00 176.35 177.29 3dws s PHE 187 N -0.94 -0.50 0.09 0.29 5.36 -0.65 -2.13 117.98 119.51 3dws s PHE 187 Ca 0.12 1.13 -0.18 0.00 -0.96 0.00 0.00 56.93 57.04 3dws s PHE 187 Cb -0.10 0.19 0.04 0.00 -0.34 0.00 0.00 43.02 42.81 3dws s PHE 187 CO 0.04 -0.26 0.44 -0.59 -1.46 0.00 0.00 175.22 173.39 3dws s PHE 188 N 0.76 -0.29 0.18 10.12 -0.71 -0.34 -4.32 117.98 123.37 3dws s PHE 188 Ca -0.04 0.12 -0.19 0.00 -1.04 0.00 0.00 56.93 55.78 3dws s PHE 188 Cb -0.05 0.29 0.04 0.00 -1.21 0.00 0.00 43.02 42.09 3dws s PHE 188 CO -0.05 -0.67 0.53 0.34 -1.34 0.00 0.00 175.22 174.03 3dws s ASP 189 N -2.44 -0.35 -1.41 1.98 2.15 -1.26 -1.16 116.67 114.18 3dws s ASP 189 Ca -0.01 -0.31 -0.10 0.00 0.43 0.00 0.00 52.55 52.56 3dws s ASP 189 Cb 0.00 0.57 0.07 0.00 -0.30 0.00 0.00 42.92 43.27 3dws s ASP 189 CO -0.08 -1.01 0.63 0.47 -0.17 0.00 0.00 175.17 175.02 3dws n ASP 190 N -0.34 -4.24 -4.59 -0.34 8.00 -1.11 -4.88 116.55 109.06 3dws n ASP 190 Ca -0.13 -0.51 -0.42 0.00 0.71 0.00 0.00 54.79 54.44 3dws n ASP 190 Cb 0.63 -3.46 -0.02 0.00 -0.02 0.00 0.00 41.12 38.25 3dws n ASP 190 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dws s LEU 191 N -6.74 3.49 0.00 0.64 2.96 -0.81 -4.63 118.68 113.59 3dws s LEU 191 Ca 0.47 0.56 0.00 0.00 -0.22 0.00 0.00 54.13 54.94 3dws s LEU 191 Cb -0.24 -3.29 0.00 0.00 0.50 0.00 0.00 46.19 43.16 3dws s LEU 191 CO 0.58 -1.59 0.28 -0.46 -1.32 0.00 0.00 176.35 173.84 3dws n ASN 192 N 9.30 0.00 0.19 3.68 0.23 -1.26 -1.21 115.26 126.18 3dws n ASN 192 Ca 0.15 -1.06 0.03 0.00 -0.53 0.00 0.00 54.58 53.17 3dws n ASN 192 Cb 0.49 -0.01 0.38 0.00 -2.08 0.00 0.00 39.78 38.55 3dws n ASN 192 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3dws h GLU 193 N 0.00 0.02 -6.82 -3.83 4.11 -1.97 -3.43 114.58 102.65 3dws h GLU 193 Ca 0.00 -0.01 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 3dws h GLU 193 Cb 1.02 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.30 3dws h GLU 193 CO 0.00 0.35 0.01 -1.58 0.07 0.00 0.00 179.01 177.86 3dws s TRP 194 N -4.28 3.42 0.85 2.06 0.51 -1.26 -5.07 118.94 115.18 3dws s TRP 194 Ca -0.03 0.56 -0.13 0.00 -2.12 0.00 0.00 56.10 54.38 3dws s TRP 194 Cb 0.15 -2.29 0.06 0.00 -0.81 0.00 0.00 33.47 30.58 3dws s TRP 194 CO 0.72 -0.30 0.89 -2.30 -0.51 0.00 0.00 176.95 175.46 3dws n PRO 195 N -2.17 -0.03 -0.29 4.98 -0.02 -1.26 -4.73 135.00 131.47 3dws n PRO 195 Ca 0.00 0.06 0.01 0.00 -2.02 0.00 0.00 63.50 61.54 3dws n PRO 195 Cb 0.56 -2.19 0.14 0.00 -0.02 0.00 0.00 33.50 31.99 3dws n PRO 195 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3dws h PHE 196 N -1.17 0.91 -0.52 6.00 3.57 -1.97 -2.54 116.94 121.22 3dws h PHE 196 Ca -0.45 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.05 3dws h PHE 196 Cb 1.30 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 3dws h PHE 196 CO 0.43 0.44 0.21 0.93 -2.23 0.00 0.00 178.31 178.09 3dws h GLU 197 N 0.89 0.79 -0.88 1.11 4.39 -2.00 -1.80 114.58 117.08 3dws h GLU 197 Ca 0.36 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 3dws h GLU 197 Cb 0.20 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 3dws h GLU 197 CO -0.19 0.69 0.53 -0.22 -1.16 0.00 0.00 179.01 178.67 3dws h LYS 198 N 0.71 1.20 -0.50 2.33 3.64 -1.82 -0.94 116.57 121.20 3dws h LYS 198 Ca 0.17 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3dws h LYS 198 Cb 0.20 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3dws h LYS 198 CO -0.01 0.84 0.17 0.00 -2.27 0.00 0.00 179.45 178.18 3dws h PHE 200 N 0.67 -0.15 -1.00 0.00 3.57 -1.00 -1.07 116.94 117.97 3dws h PHE 200 Ca 0.16 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.86 3dws h PHE 200 Cb 0.25 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 38.94 3dws h PHE 200 CO 0.01 0.05 0.61 0.93 -2.23 0.00 0.00 178.31 177.69 3dws h GLU 201 N -0.33 0.67 -0.59 1.11 4.39 -1.18 0.07 114.58 118.72 3dws h GLU 201 Ca -0.02 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3dws h GLU 201 Cb 0.27 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 3dws h GLU 201 CO 0.03 0.44 0.28 0.35 -1.16 0.00 0.00 179.01 178.94 3dws h PHE 202 N 0.69 0.86 0.00 4.33 3.57 -0.25 -1.57 116.94 124.58 3dws h PHE 202 Ca 0.57 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.91 3dws h PHE 202 Cb 1.00 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 3dws h PHE 202 CO -0.00 0.67 -0.54 -0.39 -2.23 0.00 0.00 178.31 175.81 3dws h VAL 203 N 0.81 1.19 -0.25 1.41 -1.51 -0.00 -0.62 116.25 117.28 3dws h VAL 203 Ca 0.20 -1.98 -0.01 0.00 -1.23 0.00 0.00 66.70 63.69 3dws h VAL 203 Cb 0.13 2.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 3dws h VAL 203 CO -0.02 0.53 0.11 1.56 -1.23 0.00 0.00 177.57 178.51 3dws h GLN 204 N 0.00 0.36 -0.48 5.19 4.20 -0.76 0.47 115.11 124.09 3dws h GLN 204 Ca -0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3dws h GLN 204 Cb 1.08 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 3dws h GLN 204 CO 0.07 0.38 0.27 0.00 -0.67 0.00 0.00 178.83 178.88 3dws h ALA 205 N 0.96 1.58 -0.27 3.87 0.00 -0.97 0.33 119.26 124.77 3dws h ALA 205 Ca 0.08 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3dws h ALA 205 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3dws h ALA 205 CO -0.01 0.36 -0.47 0.28 0.00 0.00 0.00 179.25 179.41 3dws h VAL 206 N 0.66 1.29 0.20 0.00 2.07 -0.83 0.14 116.25 119.79 3dws h VAL 206 Ca 0.17 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 3dws h VAL 206 Cb 0.00 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3dws h VAL 206 CO -0.03 0.54 -0.09 1.23 0.02 0.00 0.00 177.57 179.23 3dws h GLY 207 N 0.92 -0.27 1.31 2.17 0.00 0.04 -1.78 103.07 105.45 3dws h GLY 207 Ca 0.03 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.47 3dws h GLY 207 CO 0.10 -0.10 0.46 1.70 0.00 0.00 0.00 176.54 178.70 3dws h LYS 208 N -0.58 0.93 -0.87 4.80 3.64 -1.05 -2.93 116.57 120.50 3dws h LYS 208 Ca -0.03 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3dws h LYS 208 Cb 0.43 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 3dws h LYS 208 CO 0.04 0.61 0.58 0.78 -2.27 0.00 0.00 179.45 179.20 3dws h GLY 209 N 0.95 1.23 -0.72 5.01 0.00 -0.49 -2.24 103.07 106.81 3dws h GLY 209 Ca 0.26 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3dws h GLY 209 CO -0.05 0.45 0.00 2.98 0.00 0.00 0.00 176.54 179.91 3dws n TYR 210 N -4.40 0.00 0.00 5.60 9.36 -0.69 -0.49 117.16 126.54 3dws n TYR 210 Ca 0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.32 3dws n TYR 210 Cb 0.02 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.73 3dws n TYR 210 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3dws n ASP 212 N 0.19 0.00 -0.06 2.98 8.00 -0.84 -0.01 116.55 126.81 3dws n ASP 212 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 3dws n ASP 212 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 3dws n ASP 212 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dws h ALA 213 N 0.00 -0.00 0.04 2.24 0.00 -1.05 -3.42 119.26 117.07 3dws h ALA 213 Ca 0.00 -0.44 -0.20 0.00 0.00 0.00 0.00 54.91 54.27 3dws h ALA 213 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3dws h ALA 213 CO 0.00 -0.06 -1.07 -0.92 0.00 0.00 0.00 179.25 177.20 3dws h TYR 214 N -0.87 0.17 -0.51 0.00 3.20 -0.67 -3.38 116.97 114.91 3dws h TYR 214 Ca -0.00 -0.12 0.10 0.00 3.14 0.00 0.00 58.73 61.85 3dws h TYR 214 Cb 0.87 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 39.05 3dws h TYR 214 CO 0.23 1.42 -0.02 0.82 -1.64 0.00 0.00 178.16 178.97 3dws h ILE 215 N -0.72 0.58 -0.97 1.81 1.08 -1.82 -0.06 117.51 117.40 3dws h ILE 215 Ca -0.26 -0.03 0.07 0.00 -0.39 0.00 0.00 64.86 64.25 3dws h ILE 215 Cb 1.42 0.47 -0.07 0.00 -3.07 0.00 0.00 36.82 35.58 3dws h ILE 215 CO -0.06 0.02 0.63 -0.65 -0.69 0.00 0.00 178.15 177.39 3dws h PRO 216 N 0.10 1.06 -0.64 2.37 0.11 -1.80 -0.44 132.00 132.75 3dws h PRO 216 Ca 0.26 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 3dws h PRO 216 Cb 0.39 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 3dws h PRO 216 CO -0.44 0.70 0.25 0.82 -0.21 0.00 0.00 178.00 179.12 3dws h ILE 217 N 1.09 1.22 -0.37 4.15 2.04 -1.20 -1.49 117.51 122.95 3dws h ILE 217 Ca 0.43 -0.71 -0.11 0.00 1.00 0.00 0.00 64.86 65.47 3dws h ILE 217 Cb 0.23 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3dws h ILE 217 CO -0.17 0.28 -0.23 0.58 0.00 0.00 0.00 178.15 178.61 3dws h VAL 218 N 0.92 1.27 -0.40 1.67 2.07 -0.54 -2.59 116.25 118.64 3dws h VAL 218 Ca 0.22 -1.33 -0.13 0.00 0.82 0.00 0.00 66.70 66.27 3dws h VAL 218 Cb 0.18 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3dws h VAL 218 CO -0.02 0.44 -0.28 -1.13 0.02 0.00 0.00 177.57 176.60 3dws h ASN 219 N 0.64 0.90 -0.07 0.57 -0.73 -0.61 -2.21 115.58 114.07 3dws h ASN 219 Ca 0.09 -0.36 -0.19 0.00 1.87 0.00 0.00 56.30 57.72 3dws h ASN 219 Cb 0.73 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 39.07 3dws h ASN 219 CO 0.06 1.11 -0.62 -0.09 -0.37 0.00 0.00 177.43 177.52 3dws h ARG 220 N 0.74 0.69 0.00 6.67 2.43 -1.26 -3.36 114.38 120.28 3dws h ARG 220 Ca 0.09 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3dws h ARG 220 Cb 0.83 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3dws h ARG 220 CO 0.07 1.10 -0.40 0.54 -1.51 0.00 0.00 179.97 179.77 3dws n ARG 221 N -3.95 4.21 -0.31 0.20 5.12 -0.98 -4.70 116.66 116.25 3dws n ARG 221 Ca -0.05 -0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.91 3dws n ARG 221 Cb 0.66 -0.90 0.23 0.00 -1.16 0.00 0.00 32.46 31.29 3dws n ARG 221 CO 0.00 0.00 0.00 1.57 -1.93 0.00 0.00 177.63 177.27 3dws h LYS 222 N 0.00 1.02 -0.55 5.56 2.10 -1.55 -1.18 116.57 121.97 3dws h LYS 222 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3dws h LYS 222 Cb 0.20 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 31.30 3dws h LYS 222 CO 0.00 0.67 0.00 0.09 -2.00 0.00 0.00 179.45 178.21 3dws n ASN 223 N -4.48 2.65 -4.72 7.07 3.02 -1.26 -4.85 115.26 112.69 3dws n ASN 223 Ca 0.13 -2.20 -0.42 0.00 -0.03 0.00 0.00 54.58 52.07 3dws n ASN 223 Cb 0.18 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 3dws n ASN 223 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dws s THR 224 N -1.66 2.95 0.29 3.41 2.01 -0.45 -4.96 115.64 117.23 3dws s THR 224 Ca 0.27 0.68 -0.29 0.00 0.31 0.00 0.00 61.69 62.66 3dws s THR 224 Cb 0.17 -3.44 -0.10 0.00 0.01 0.00 0.00 72.50 69.14 3dws s THR 224 CO 0.14 0.06 1.17 -2.16 -0.69 0.00 0.00 174.62 173.14 3dws s PRO 225 N 1.03 4.54 0.03 4.92 0.04 -1.26 -4.91 135.00 139.40 3dws s PRO 225 Ca 0.67 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.67 3dws s PRO 225 Cb -0.40 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 3dws s PRO 225 CO 0.31 0.07 -0.08 1.52 0.04 0.00 0.00 177.00 178.87 3dws s TYR 226 N -1.09 0.68 0.41 0.56 1.13 -1.26 -5.04 117.35 112.75 3dws s TYR 226 Ca 0.46 -0.37 0.01 0.00 -1.41 0.00 0.00 57.07 55.76 3dws s TYR 226 Cb -0.34 -0.41 -0.01 0.00 -1.10 0.00 0.00 41.96 40.09 3dws s TYR 226 CO 0.44 -0.05 0.62 0.95 -2.51 0.00 0.00 175.55 175.00 3dws s THR 227 N -0.98 4.19 0.25 -3.49 -4.23 -1.26 -4.99 115.64 105.13 3dws s THR 227 Ca -0.05 -0.57 0.37 0.00 -1.18 0.00 0.00 61.69 60.25 3dws s THR 227 Cb -0.08 -3.53 0.40 0.00 1.34 0.00 0.00 72.50 70.63 3dws s THR 227 CO 0.00 -0.34 2.09 -0.08 -0.54 0.00 0.00 174.62 175.75 3dws h GLU 228 N 0.54 0.00 -0.15 3.99 4.81 -2.01 -2.24 114.58 119.52 3dws h GLU 228 Ca -0.47 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.60 3dws h GLU 228 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 3dws h GLU 228 CO 0.57 0.00 -0.58 1.96 -0.73 0.00 0.00 179.01 180.24 3dws h GLN 229 N 0.00 0.47 0.00 1.92 7.50 -2.00 -2.40 115.11 120.60 3dws h GLN 229 Ca 0.00 -0.30 -0.13 0.00 0.50 0.00 0.00 58.65 58.72 3dws h GLN 229 Cb 0.32 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.87 3dws h GLN 229 CO 0.00 0.91 -0.60 1.96 -1.50 0.00 0.00 178.83 179.60 3dws h GLN 230 N 0.35 0.00 -0.17 1.46 4.20 -1.81 -2.55 115.11 116.59 3dws h GLN 230 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 3dws h GLN 230 Cb 1.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 3dws h GLN 230 CO 0.10 0.60 -0.31 0.28 -0.67 0.00 0.00 178.83 178.83 3dws h VAL 231 N 0.00 1.28 -0.31 -0.54 2.07 -1.25 -1.86 116.25 115.64 3dws h VAL 231 Ca -0.01 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.13 3dws h VAL 231 Cb 1.15 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 3dws h VAL 231 CO 0.08 0.41 -0.02 -0.08 0.02 0.00 0.00 177.57 177.98 3dws h GLU 232 N 0.30 0.56 0.00 1.57 4.81 -1.14 -0.27 114.58 120.41 3dws h GLU 232 Ca 0.04 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3dws h GLU 232 Cb 0.71 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 3dws h GLU 232 CO 0.05 0.71 -0.04 0.35 -0.73 0.00 0.00 179.01 179.35 3dws h PHE 233 N 0.35 -0.10 -1.00 0.92 3.57 -1.38 -1.29 116.94 118.00 3dws h PHE 233 Ca 0.09 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.75 3dws h PHE 233 Cb 0.47 0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.16 3dws h PHE 233 CO 0.04 -0.06 0.62 0.37 -2.23 0.00 0.00 178.31 177.05 3dws h GLN 234 N -0.07 0.85 -0.09 1.11 4.15 -1.22 0.13 115.11 119.96 3dws h GLN 234 Ca 0.02 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.25 3dws h GLN 234 Cb 0.09 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 3dws h GLN 234 CO -0.04 0.56 -0.53 0.93 -1.93 0.00 0.00 178.83 177.82 3dws h GLU 235 N 0.87 0.25 -0.23 1.69 5.08 -0.20 -1.92 114.58 120.13 3dws h GLU 235 Ca 0.54 -0.15 -0.20 0.00 -1.00 0.00 0.00 59.36 58.55 3dws h GLU 235 Cb 0.71 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3dws h GLU 235 CO -0.33 0.72 -0.64 0.74 -1.00 0.00 0.00 179.01 178.50 3dws h PHE 236 N 0.20 1.05 -0.20 4.33 0.04 -0.16 -1.18 116.94 121.01 3dws h PHE 236 Ca 0.00 -0.41 -0.01 0.00 2.80 0.00 0.00 57.97 60.36 3dws h PHE 236 Cb 1.00 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 3dws h PHE 236 CO 0.02 1.23 0.09 0.00 -0.60 0.00 0.00 178.31 179.05 3dws h ARG 237 N 0.60 0.27 0.00 1.51 2.47 -0.90 -1.73 114.38 116.60 3dws h ARG 237 Ca -0.01 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 3dws h ARG 237 Cb 1.25 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.51 3dws h ARG 237 CO 0.14 0.23 -0.13 0.00 0.56 0.00 0.00 179.97 180.76 3dws h ARG 238 N 0.28 0.00 -0.14 0.04 3.08 -1.15 -2.55 114.38 113.94 3dws h ARG 238 Ca 0.07 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.16 3dws h ARG 238 Cb 0.05 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 3dws h ARG 238 CO -0.01 0.13 -0.09 0.78 -1.07 0.00 0.00 179.97 179.71 3dws h GLY 239 N 2.84 0.03 0.90 0.04 0.00 -1.07 -1.03 103.07 104.78 3dws h GLY 239 Ca -0.00 0.11 0.09 0.00 0.00 0.00 0.00 47.33 47.54 3dws h GLY 239 CO 0.02 -0.11 0.48 3.21 0.00 0.00 0.00 176.54 180.14 3dws h ARG 240 N -0.09 0.62 -0.42 4.80 2.47 -1.46 -1.35 114.38 118.96 3dws h ARG 240 Ca 0.08 -0.04 -0.13 0.00 -1.26 0.00 0.00 59.98 58.64 3dws h ARG 240 Cb 0.22 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 3dws h ARG 240 CO -0.20 0.41 -0.23 -0.92 0.56 0.00 0.00 179.97 179.59 3dws h TYR 241 N 0.64 1.04 -0.68 3.04 3.20 -1.21 -2.49 116.97 120.50 3dws h TYR 241 Ca 0.34 -0.27 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 3dws h TYR 241 Cb 0.46 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 3dws h TYR 241 CO -0.00 1.06 0.17 0.00 -1.64 0.00 0.00 178.16 177.75 3dws h ALA 242 N 0.82 0.90 0.21 1.82 0.00 -0.55 -2.11 119.26 120.35 3dws h ALA 242 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3dws h ALA 242 Cb 0.80 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3dws h ALA 242 CO 0.07 0.62 -0.20 0.93 0.00 0.00 0.00 179.25 180.66 3dws h GLU 243 N 1.02 -0.43 -0.13 0.00 5.08 -1.19 0.06 114.58 119.00 3dws h GLU 243 Ca 0.22 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 3dws h GLU 243 Cb 0.36 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 3dws h GLU 243 CO 0.00 -0.28 -0.17 0.35 -1.00 0.00 0.00 179.01 177.91 3dws h PHE 244 N -0.44 -0.42 -0.56 4.33 3.04 -1.19 0.39 116.94 122.09 3dws h PHE 244 Ca -0.00 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.93 3dws h PHE 244 Cb 0.41 0.21 -0.03 0.00 2.56 0.00 0.00 35.95 39.11 3dws h PHE 244 CO -0.15 -0.24 0.16 -0.91 -2.02 0.00 0.00 178.31 175.15 3dws h ASN 245 N -0.21 0.78 0.31 0.41 2.35 -1.27 0.11 115.58 118.06 3dws h ASN 245 Ca 0.10 -0.13 -0.33 0.00 -0.55 0.00 0.00 56.30 55.39 3dws h ASN 245 Cb 0.35 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 3dws h ASN 245 CO -0.25 0.75 -1.81 -0.07 -1.65 0.00 0.00 177.43 174.39 3dws h LEU 246 N 0.82 0.27 0.09 1.61 3.38 -0.27 -3.35 115.31 117.86 3dws h LEU 246 Ca 0.18 -0.55 -0.29 0.00 0.09 0.00 0.00 57.88 57.31 3dws h LEU 246 Cb 0.26 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3dws h LEU 246 CO -0.01 1.49 -1.57 0.58 0.09 0.00 0.00 178.44 179.02 3dws h VAL 247 N 0.05 0.86 0.00 1.22 2.07 -0.27 -3.46 116.25 116.72 3dws h VAL 247 Ca -0.34 -2.32 -0.22 0.00 0.82 0.00 0.00 66.70 64.64 3dws h VAL 247 Cb 2.03 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 34.28 3dws h VAL 247 CO 0.10 0.67 -1.79 -0.38 0.02 0.00 0.00 177.57 176.19 3dws n ILE 248 N -3.90 0.79 -1.67 4.57 5.41 -0.15 -5.01 119.36 119.40 3dws n ILE 248 Ca -0.29 -0.28 -0.48 0.00 1.00 0.00 0.00 62.75 62.70 3dws n ILE 248 Cb 0.89 -1.13 -0.05 0.00 -0.71 0.00 0.00 39.64 38.64 3dws n ILE 248 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3dws n ASP 249 N -3.06 3.21 -0.09 4.38 2.03 -0.21 -4.89 116.55 117.92 3dws n ASP 249 Ca -0.25 1.02 -0.14 0.00 0.52 0.00 0.00 54.79 55.94 3dws n ASP 249 Cb 0.75 -1.38 -0.04 0.00 -0.72 0.00 0.00 41.12 39.73 3dws n ASP 249 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3dws h ARG 250 N 7.73 0.84 -0.35 -0.67 3.08 -1.92 -2.04 114.38 121.04 3dws h ARG 250 Ca -0.47 -0.49 -0.12 0.00 0.07 0.00 0.00 59.98 58.97 3dws h ARG 250 Cb 1.27 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 3dws h ARG 250 CO 0.92 1.12 -0.24 0.78 -1.07 0.00 0.00 179.97 181.48 3dws h GLY 251 N 0.62 0.86 1.00 0.04 0.00 -1.97 0.10 103.07 103.72 3dws h GLY 251 Ca 0.04 -0.82 0.01 0.00 0.00 0.00 0.00 47.33 46.55 3dws h GLY 251 CO 0.10 0.74 0.35 -0.84 0.00 0.00 0.00 176.54 176.90 3dws h THR 252 N 0.58 1.13 -0.15 4.70 2.02 -1.86 0.50 112.91 119.83 3dws h THR 252 Ca 0.07 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 3dws h THR 252 Cb 0.81 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3dws h THR 252 CO 0.07 0.13 0.03 0.50 0.37 0.00 0.00 175.52 176.62 3dws h LYS 253 N 0.72 0.24 -0.29 6.66 3.64 -1.26 -2.51 116.57 123.78 3dws h LYS 253 Ca 0.20 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 3dws h LYS 253 Cb -0.08 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3dws h LYS 253 CO -0.05 0.40 -0.39 0.35 -2.27 0.00 0.00 179.45 177.49 3dws h PHE 254 N 0.04 0.80 -0.70 1.91 3.57 -0.72 -1.34 116.94 120.50 3dws h PHE 254 Ca 0.05 -0.23 0.11 0.00 3.53 0.00 0.00 57.97 61.42 3dws h PHE 254 Cb 0.27 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 38.76 3dws h PHE 254 CO 0.01 0.96 0.30 0.78 -2.23 0.00 0.00 178.31 178.14 3dws h GLY 255 N 0.98 1.03 1.46 2.40 0.00 0.06 -2.34 103.07 106.65 3dws h GLY 255 Ca 0.05 -0.17 -0.27 0.00 0.00 0.00 0.00 47.33 46.94 3dws h GLY 255 CO 0.08 -0.01 -1.38 1.41 0.00 0.00 0.00 176.54 176.65 3dws h LEU 256 N 0.50 0.17 0.39 3.11 3.38 -1.31 0.24 115.31 121.79 3dws h LEU 256 Ca 0.36 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3dws h LEU 256 Cb 0.45 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3dws h LEU 256 CO -0.32 1.19 -0.19 1.56 0.09 0.00 0.00 178.44 180.78 3dws h GLN 257 N 0.03 -0.50 -0.05 1.13 4.20 -1.20 -3.33 115.11 115.39 3dws h GLN 257 Ca -0.17 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3dws h GLN 257 Cb 1.93 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.82 3dws h GLN 257 CO 0.13 -0.25 0.00 0.43 -0.67 0.00 0.00 178.83 178.48 3dws n SER 258 N -5.25 0.35 0.00 1.46 7.64 -0.89 -4.84 113.62 112.10 3dws n SER 258 Ca -0.11 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.13 3dws n SER 258 Cb 0.26 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 3dws n SER 258 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dws n GLY 259 N 0.78 1.10 3.73 0.23 0.00 -1.25 -5.02 105.19 104.76 3dws n GLY 259 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3dws n GLY 259 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dws s GLY 260 N -2.00 1.66 -0.31 -0.02 0.00 0.07 -4.93 107.32 101.80 3dws s GLY 260 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 44.72 44.68 3dws s GLY 260 CO 0.00 0.65 1.70 -1.60 0.00 0.00 0.00 173.10 173.85 3dws s ARG 261 N -4.84 3.49 0.11 2.90 3.52 -1.26 -4.82 118.95 118.05 3dws s ARG 261 Ca 0.63 1.43 -0.34 0.00 -0.13 0.00 0.00 55.73 57.33 3dws s ARG 261 Cb -0.19 -4.13 -0.13 0.00 -1.56 0.00 0.00 34.95 28.95 3dws s ARG 261 CO 0.57 -1.66 1.56 1.15 -0.81 0.00 0.00 175.30 176.11 3dws h THR 262 N 6.59 0.03 0.00 4.11 2.02 -1.92 -1.56 112.91 122.17 3dws h THR 262 Ca -0.33 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 3dws h THR 262 Cb 1.16 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3dws h THR 262 CO 1.03 0.00 -0.22 -0.33 0.37 0.00 0.00 175.52 176.37 3dws h GLU 263 N -0.66 0.00 -0.34 6.66 4.39 -1.95 0.13 114.58 122.82 3dws h GLU 263 Ca 0.02 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.56 3dws h GLU 263 Cb 0.72 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 3dws h GLU 263 CO -0.35 0.22 -0.41 0.77 -1.16 0.00 0.00 179.01 178.07 3dws h SER 264 N 0.00 0.89 -0.31 1.42 0.02 -1.88 -3.01 113.55 110.70 3dws h SER 264 Ca -0.00 -0.42 -0.16 0.00 -0.84 0.00 0.00 61.79 60.37 3dws h SER 264 Cb 0.41 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3dws h SER 264 CO 0.03 1.19 -0.42 0.40 -1.14 0.00 0.00 176.83 176.89 3dws h ILE 265 N 0.68 1.28 -0.53 3.27 2.04 0.15 -3.31 117.51 121.08 3dws h ILE 265 Ca 0.05 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.31 3dws h ILE 265 Cb 0.99 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 3dws h ILE 265 CO 0.09 0.53 0.00 0.18 0.00 0.00 0.00 178.15 178.95 3dws n LEU 266 N -4.04 5.12 0.33 1.44 4.77 0.10 -3.98 117.00 120.73 3dws n LEU 266 Ca -0.02 -2.59 0.16 0.00 -0.03 0.00 0.00 56.01 53.52 3dws n LEU 266 Cb 0.56 -0.65 0.85 0.00 -2.33 0.00 0.00 43.42 41.85 3dws n LEU 266 CO 0.48 0.62 1.12 0.16 -1.33 0.00 0.00 177.39 178.44 3dws h ILE 267 N 3.63 0.00 0.00 -0.08 3.07 -1.62 -2.38 117.51 120.13 3dws h ILE 267 Ca 0.00 0.00 -0.03 0.00 1.55 0.00 0.00 64.86 66.38 3dws h ILE 267 Cb 1.75 0.69 -0.00 0.00 -0.27 0.00 0.00 36.82 38.99 3dws h ILE 267 CO 0.40 0.00 -0.16 0.77 -1.05 0.00 0.00 178.15 178.12 3dws h SER 268 N 0.00 0.00 -3.95 2.16 4.64 -1.88 -3.44 113.55 111.07 3dws h SER 268 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3dws h SER 268 Cb 0.56 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.68 3dws h SER 268 CO 0.00 0.16 0.44 -0.76 -0.87 0.00 0.00 176.83 175.79 3dws s LEU 269 N -7.13 4.16 0.70 5.97 1.43 -0.90 -4.95 118.68 117.96 3dws s LEU 269 Ca -0.02 2.12 -0.11 0.00 -1.03 0.00 0.00 54.13 55.09 3dws s LEU 269 Cb 0.12 -4.13 0.01 0.00 0.03 0.00 0.00 46.19 42.22 3dws s LEU 269 CO 0.60 -0.54 1.08 -2.16 0.23 0.00 0.00 176.35 175.56 3dws s PRO 270 N -2.42 2.94 0.07 1.29 0.04 -1.26 -5.01 135.00 130.65 3dws s PRO 270 Ca 0.57 0.55 -0.22 0.00 0.04 0.00 0.00 61.00 61.94 3dws s PRO 270 Cb -0.25 -2.02 -0.13 0.00 0.04 0.00 0.00 34.50 32.14 3dws s PRO 270 CO 0.31 -0.99 1.62 -1.35 0.04 0.00 0.00 177.00 176.62 3dws h PRO 271 N -0.63 0.14 -4.91 0.56 0.10 -1.95 -3.43 132.00 121.88 3dws h PRO 271 Ca -0.45 -0.02 -0.38 0.00 0.10 0.00 0.00 66.00 65.25 3dws h PRO 271 Cb 1.24 -0.02 -0.25 0.00 0.10 0.00 0.00 31.00 32.07 3dws h PRO 271 CO 0.63 0.24 -0.77 1.03 0.10 0.00 0.00 178.00 179.23 3dws s ARG 272 N -5.61 0.73 -0.00 1.05 0.52 -1.26 -5.16 118.95 109.22 3dws s ARG 272 Ca -0.14 -0.63 -0.05 0.00 -0.52 0.00 0.00 55.73 54.39 3dws s ARG 272 Cb 0.06 -0.67 -0.00 0.00 0.52 0.00 0.00 34.95 34.86 3dws s ARG 272 CO 0.68 0.16 0.10 0.00 0.02 0.00 0.00 175.30 176.27 3dws s ALA 273 N -0.81 -0.23 0.10 2.13 0.00 -1.26 -4.77 121.76 116.92 3dws s ALA 273 Ca -0.01 -0.16 0.09 0.00 0.00 0.00 0.00 51.96 51.88 3dws s ALA 273 Cb -0.07 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3dws s ALA 273 CO 0.01 -0.18 -0.22 1.03 0.00 0.00 0.00 175.76 176.40 3dws s ARG 274 N -1.19 1.19 -0.03 0.00 0.52 -0.47 -4.93 118.95 114.05 3dws s ARG 274 Ca -0.13 -1.18 0.01 0.00 -0.52 0.00 0.00 55.73 53.91 3dws s ARG 274 Cb -0.07 -1.49 0.01 0.00 0.52 0.00 0.00 34.95 33.93 3dws s ARG 274 CO 0.01 0.35 -0.04 -1.58 0.02 0.00 0.00 175.30 174.06 3dws s TRP 275 N -1.12 0.60 0.06 -0.53 0.51 -1.26 -4.21 118.94 112.98 3dws s TRP 275 Ca 0.08 -0.13 0.05 0.00 -2.12 0.00 0.00 56.10 53.97 3dws s TRP 275 Cb -0.10 -0.52 -0.03 0.00 -0.81 0.00 0.00 33.47 32.02 3dws s TRP 275 CO 0.04 -0.12 -0.13 0.20 -0.51 0.00 0.00 176.95 176.43 3dws s GLY 276 N 0.60 0.77 -0.04 0.98 0.00 -1.26 -5.08 107.32 103.30 3dws s GLY 276 Ca -0.07 -0.89 -0.30 0.00 0.00 0.00 0.00 44.72 43.46 3dws s GLY 276 CO -0.00 -0.91 1.68 -0.47 0.00 0.00 0.00 173.10 173.40 3dws s TYR 277 N -1.13 1.97 -1.73 1.90 5.04 -1.26 -1.85 117.35 120.29 3dws s TYR 277 Ca -0.02 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.77 3dws s TYR 277 Cb -0.09 -3.94 0.00 0.00 0.35 0.00 0.00 41.96 38.28 3dws s TYR 277 CO 0.02 -3.97 0.00 0.09 -1.34 0.00 0.00 175.55 170.34 3dws n ASN 278 N 7.01 -5.52 -4.70 4.32 3.02 -1.26 -4.93 115.26 113.20 3dws n ASN 278 Ca 0.17 0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.38 3dws n ASN 278 Cb 0.42 -4.60 -0.03 0.00 -0.61 0.00 0.00 39.78 34.97 3dws n ASN 278 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3dws s TRP 279 N -2.92 2.45 0.02 3.10 -0.00 -0.77 -4.98 118.94 115.84 3dws s TRP 279 Ca 0.00 0.23 0.01 0.00 -0.00 0.00 0.00 56.10 56.34 3dws s TRP 279 Cb 0.00 -4.06 -0.02 0.00 -0.00 0.00 0.00 33.47 29.39 3dws s TRP 279 CO 0.00 -4.25 -0.05 -0.65 -0.00 0.00 0.00 176.95 172.01 3dws s GLN 280 N 2.31 0.37 0.57 5.86 -0.21 -1.26 -5.01 119.66 122.30 3dws s GLN 280 Ca 0.76 -0.57 -0.17 0.00 0.02 0.00 0.00 55.36 55.41 3dws s GLN 280 Cb -0.44 -0.10 -0.04 0.00 1.00 0.00 0.00 33.01 33.42 3dws s GLN 280 CO 0.34 0.01 1.06 -1.25 -2.12 0.00 0.00 175.29 173.33 3dws s PRO 281 N -1.24 3.38 -0.09 2.91 0.04 -1.26 -4.95 135.00 133.78 3dws s PRO 281 Ca -0.10 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 61.91 3dws s PRO 281 Cb -0.08 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 3dws s PRO 281 CO -0.00 -0.77 1.87 -1.21 0.04 0.00 0.00 177.00 176.92 3dws s GLU 282 N -3.88 3.87 0.32 4.56 0.41 -1.26 -4.73 118.70 118.00 3dws s GLU 282 Ca 0.65 2.18 -0.29 0.00 -0.41 0.00 0.00 54.97 57.10 3dws s GLU 282 Cb -0.17 -4.14 -0.12 0.00 -1.78 0.00 0.00 34.13 27.93 3dws s GLU 282 CO 0.33 -1.24 1.54 -0.35 -0.49 0.00 0.00 175.26 175.05 3dws n PRO 283 N 7.72 2.64 0.00 0.39 -0.04 -1.26 -2.39 135.00 142.06 3dws n PRO 283 Ca 0.21 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.60 3dws n PRO 283 Cb 0.43 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 3dws n PRO 283 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dws n GLY 284 N 1.49 0.36 3.96 0.55 0.00 -1.26 -5.03 105.19 105.25 3dws n GLY 284 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 3dws n GLY 284 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dws s THR 285 N -2.00 3.35 0.59 2.61 -4.23 -1.00 -4.97 115.64 109.97 3dws s THR 285 Ca 0.00 -1.11 0.29 0.00 -1.18 0.00 0.00 61.69 59.69 3dws s THR 285 Cb 0.00 -3.15 0.36 0.00 1.34 0.00 0.00 72.50 71.05 3dws s THR 285 CO 0.00 -0.07 2.07 -0.65 -0.54 0.00 0.00 174.62 175.43 3dws h PRO 286 N 0.87 0.00 -0.32 3.99 0.11 -1.98 -2.06 132.00 132.60 3dws h PRO 286 Ca -0.43 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.53 3dws h PRO 286 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3dws h PRO 286 CO 0.51 0.00 -0.42 0.93 -0.21 0.00 0.00 178.00 178.81 3dws h GLU 287 N 0.00 0.79 0.00 1.05 3.07 -1.92 -3.19 114.58 114.38 3dws h GLU 287 Ca 0.10 -0.43 -0.19 0.00 -0.50 0.00 0.00 59.36 58.34 3dws h GLU 287 Cb 0.59 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.49 3dws h GLU 287 CO -0.00 1.06 -0.93 0.00 -1.40 0.00 0.00 179.01 177.74 3dws h ALA 288 N 0.88 0.45 -0.56 3.43 0.00 -1.60 -3.30 119.26 118.56 3dws h ALA 288 Ca 0.05 -0.84 0.12 0.00 0.00 0.00 0.00 54.91 54.23 3dws h ALA 288 Cb 0.98 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3dws h ALA 288 CO 0.09 1.16 0.39 -0.09 0.00 0.00 0.00 179.25 180.80 3dws h ARG 289 N 0.00 0.23 -0.54 0.00 2.43 -1.38 -1.66 114.38 113.47 3dws h ARG 289 Ca -0.01 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 3dws h ARG 289 Cb 1.66 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 31.09 3dws h ARG 289 CO 0.12 0.15 0.20 1.25 -1.51 0.00 0.00 179.97 180.19 3dws h LEU 290 N 0.24 0.21 0.00 3.80 5.85 -1.65 -1.27 115.31 122.49 3dws h LEU 290 Ca 0.27 0.06 -0.24 0.00 0.84 0.00 0.00 57.88 58.81 3dws h LEU 290 Cb 0.73 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3dws h LEU 290 CO -0.05 0.14 -1.53 0.71 -0.34 0.00 0.00 178.44 177.36 3dws h THR 291 N 0.39 0.76 0.02 1.05 1.35 -1.67 0.91 112.91 115.70 3dws h THR 291 Ca 0.26 -2.46 -0.20 0.00 -0.55 0.00 0.00 66.41 63.46 3dws h THR 291 Cb 0.29 2.29 -0.02 0.00 -1.73 0.00 0.00 68.15 68.99 3dws h THR 291 CO -0.26 0.43 -0.93 -0.33 -0.25 0.00 0.00 175.52 174.18 3dws h GLU 292 N 0.00 0.11 0.00 4.72 5.08 -1.23 -3.40 114.58 119.85 3dws h GLU 292 Ca -0.22 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3dws h GLU 292 Cb 1.83 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.12 3dws h GLU 292 CO 0.07 0.95 0.00 0.98 -1.00 0.00 0.00 179.01 180.01 3dws n TYR 293 N -3.55 -0.45 -0.22 4.33 9.36 -0.50 -4.80 117.16 121.33 3dws n TYR 293 Ca -0.03 0.08 -0.06 0.00 3.32 0.00 0.00 57.90 61.21 3dws n TYR 293 Cb 0.85 0.11 0.04 0.00 -0.63 0.00 0.00 39.34 39.71 3dws n TYR 293 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3dws h PHE 294 N 0.00 0.83 0.00 2.98 0.04 -1.23 -2.54 116.94 117.01 3dws h PHE 294 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3dws h PHE 294 Cb 0.00 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 37.88 3dws h PHE 294 CO 0.00 0.58 0.00 -0.07 -0.60 0.00 0.00 178.31 178.22 3dws h LEU 295 N 0.83 0.00 -1.33 1.54 3.38 -1.04 -3.31 115.31 115.38 3dws h LEU 295 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3dws h LEU 295 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3dws h LEU 295 CO -0.04 0.00 -0.04 0.35 0.09 0.00 0.00 178.44 178.80 3dws n THR 296 N -2.56 0.00 -0.01 0.22 -2.24 -1.10 -4.65 114.28 103.93 3dws n THR 296 Ca 0.04 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.22 3dws n THR 296 Cb 0.40 1.22 -0.06 0.00 -2.10 0.00 0.00 70.33 69.79 3dws n THR 296 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3dws h LYS 297 N 2.11 0.13 -7.02 -0.78 3.64 -1.55 -3.47 116.57 109.63 3dws h LYS 297 Ca 0.00 -0.02 -0.48 0.00 -1.27 0.00 0.00 60.65 58.88 3dws h LYS 297 Cb 0.47 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 3dws h LYS 297 CO 0.00 0.26 -0.79 0.54 -2.27 0.00 0.00 179.45 177.18 3dws n ARG 298 N -4.93 -0.45 -3.02 1.90 1.74 -1.26 -4.89 116.66 105.75 3dws n ARG 298 Ca -0.06 -0.06 0.05 0.00 -0.77 0.00 0.00 57.85 57.01 3dws n ARG 298 Cb 0.12 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 3dws n ARG 298 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3dws s GLN 299 N -6.91 0.02 -0.12 5.56 2.00 -1.26 -5.09 119.66 113.86 3dws s GLN 299 Ca 0.34 0.01 0.03 0.00 -2.00 0.00 0.00 55.36 53.73 3dws s GLN 299 Cb -0.19 0.01 -0.09 0.00 0.80 0.00 0.00 33.01 33.54 3dws s GLN 299 CO 0.77 -0.03 -0.08 0.91 -0.50 0.00 0.00 175.29 176.35 3dws n TRP 300 N 4.61 0.00 0.82 1.67 7.02 -1.26 -5.12 117.44 125.19 3dws n TRP 300 Ca 0.09 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.67 3dws n TRP 300 Cb 0.60 -0.48 0.08 0.00 -2.42 0.00 0.00 31.31 29.10 3dws n TRP 300 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00