#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxf s LYS 5 N 0.00 4.74 -0.09 1.97 1.02 -1.26 -4.70 119.74 121.42 3dxf s LYS 5 Ca 0.00 1.44 -0.15 0.00 0.02 0.00 0.00 55.97 57.28 3dxf s LYS 5 Cb 0.00 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.17 3dxf s LYS 5 CO 0.00 0.42 0.38 -1.17 -0.92 0.00 0.00 175.35 174.06 3dxf s LEU 6 N -1.53 4.34 -0.13 3.17 2.96 -1.26 0.60 118.68 126.83 3dxf s LEU 6 Ca 0.45 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 55.13 3dxf s LEU 6 Cb -0.23 -2.53 -0.00 0.00 0.50 0.00 0.00 46.19 43.92 3dxf s LEU 6 CO 0.29 0.16 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.61 3dxf s VAL 7 N -0.08 2.49 -0.29 1.68 1.01 0.12 -0.43 120.40 124.90 3dxf s VAL 7 Ca 0.22 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 3dxf s VAL 7 Cb -0.15 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3dxf s VAL 7 CO 0.09 0.54 0.29 -0.69 0.00 0.00 0.00 175.10 175.33 3dxf s VAL 8 N 0.53 5.24 -0.24 2.92 1.01 -0.16 -1.55 120.40 128.15 3dxf s VAL 8 Ca -0.12 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 3dxf s VAL 8 Cb -0.16 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 3dxf s VAL 8 CO 0.04 0.15 0.04 -0.69 0.00 0.00 0.00 175.10 174.64 3dxf s VAL 9 N 1.91 4.11 0.53 2.92 1.01 0.83 -0.86 120.40 130.85 3dxf s VAL 9 Ca 0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 3dxf s VAL 9 Cb -0.16 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 3dxf s VAL 9 CO 0.11 0.37 0.81 -0.36 0.00 0.00 0.00 175.10 176.02 3dxf s PHE 10 N 1.50 3.31 -1.20 5.22 0.40 -0.26 0.24 117.98 127.18 3dxf s PHE 10 Ca 0.06 0.55 -0.04 0.00 -0.60 0.00 0.00 56.93 56.90 3dxf s PHE 10 Cb -0.15 -2.52 0.00 0.00 0.51 0.00 0.00 43.02 40.87 3dxf s PHE 10 CO 0.02 -0.57 0.49 0.41 0.70 0.00 0.00 175.22 176.27 3dxf n GLY 11 N -2.36 -0.25 0.21 4.36 0.00 -0.95 -4.11 105.19 102.08 3dxf n GLY 11 Ca 0.03 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.10 3dxf n GLY 11 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dxf h GLY 12 N -1.13 0.00 -0.84 -0.02 0.00 -1.59 0.63 103.07 100.13 3dxf h GLY 12 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3dxf h GLY 12 CO 0.44 0.00 -0.42 2.41 0.00 0.00 0.00 176.54 178.97 3dxf n THR 13 N -2.42 0.00 -2.30 4.70 -1.04 -1.26 -3.91 114.28 108.05 3dxf n THR 13 Ca -0.02 -0.29 -0.25 0.00 -2.04 0.00 0.00 64.05 61.45 3dxf n THR 13 Cb 0.15 1.22 0.10 0.00 -1.82 0.00 0.00 70.33 69.97 3dxf n THR 13 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3dxf s GLY 14 N -2.21 1.74 0.22 3.41 0.00 0.22 -4.90 107.32 105.80 3dxf s GLY 14 Ca 0.16 -1.26 0.04 0.00 0.00 0.00 0.00 44.72 43.65 3dxf s GLY 14 CO 0.50 -0.74 1.52 0.00 0.00 0.00 0.00 173.10 174.38 3dxf h ALA 15 N -0.73 0.78 0.02 3.20 0.00 -1.94 -1.19 119.26 119.41 3dxf h ALA 15 Ca -0.42 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 53.92 3dxf h ALA 15 Cb 1.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3dxf h ALA 15 CO 0.49 0.76 -0.01 1.96 0.00 0.00 0.00 179.25 182.45 3dxf h GLN 16 N 0.18 -0.02 -0.47 0.00 4.20 -1.88 -2.57 115.11 114.55 3dxf h GLN 16 Ca -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3dxf h GLN 16 Cb 1.18 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 3dxf h GLN 16 CO 0.10 0.73 0.22 0.78 -0.67 0.00 0.00 178.83 179.99 3dxf h GLY 17 N -0.93 0.73 0.56 3.46 0.00 -1.68 -2.04 103.07 103.18 3dxf h GLY 17 Ca -0.00 -0.37 0.05 0.00 0.00 0.00 0.00 47.33 47.01 3dxf h GLY 17 CO 0.00 0.35 0.07 -1.33 0.00 0.00 0.00 176.54 175.63 3dxf h GLY 18 N 0.62 0.41 0.95 4.60 0.00 -1.24 -0.29 103.07 108.13 3dxf h GLY 18 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 3dxf h GLY 18 CO -0.02 -0.03 0.15 0.23 0.00 0.00 0.00 176.54 176.87 3dxf h SER 19 N 0.19 0.62 0.13 0.19 0.87 -1.35 -2.30 113.55 111.90 3dxf h SER 19 Ca 0.17 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3dxf h SER 19 Cb 0.20 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3dxf h SER 19 CO -0.23 0.65 -0.06 0.58 -0.53 0.00 0.00 176.83 177.23 3dxf h VAL 20 N 0.57 0.92 -0.30 2.23 2.07 -1.09 -2.25 116.25 118.39 3dxf h VAL 20 Ca 0.14 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.55 3dxf h VAL 20 Cb 0.23 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 3dxf h VAL 20 CO -0.01 0.04 -0.20 0.00 0.02 0.00 0.00 177.57 177.43 3dxf h ALA 21 N 0.61 0.01 -0.51 1.67 0.00 -1.05 -1.51 119.26 118.48 3dxf h ALA 21 Ca -0.02 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dxf h ALA 21 Cb 0.20 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3dxf h ALA 21 CO 0.03 -0.59 0.31 0.00 0.00 0.00 0.00 179.25 179.00 3dxf h ARG 22 N -0.16 0.69 0.24 0.00 3.08 -1.38 -1.27 114.38 115.58 3dxf h ARG 22 Ca 0.16 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3dxf h ARG 22 Cb 0.41 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3dxf h ARG 22 CO -0.40 0.50 -0.23 1.15 -1.07 0.00 0.00 179.97 179.91 3dxf h THR 23 N 0.69 0.50 -0.89 2.04 2.02 -1.20 -0.75 112.91 115.32 3dxf h THR 23 Ca 0.18 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.50 3dxf h THR 23 Cb -0.02 0.50 -0.07 0.00 -1.74 0.00 0.00 68.15 66.82 3dxf h THR 23 CO -0.04 0.00 0.57 -0.07 0.37 0.00 0.00 175.52 176.36 3dxf h LEU 24 N -0.51 0.66 -0.15 2.58 4.07 -1.08 0.16 115.31 121.06 3dxf h LEU 24 Ca -0.01 0.04 -0.07 0.00 0.08 0.00 0.00 57.88 57.92 3dxf h LEU 24 Cb 0.47 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.11 3dxf h LEU 24 CO -0.05 0.34 -0.20 -0.07 -1.08 0.00 0.00 178.44 177.38 3dxf h LEU 25 N 0.70 0.43 -1.20 1.67 3.38 -0.94 -1.18 115.31 118.17 3dxf h LEU 25 Ca 0.44 -0.52 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3dxf h LEU 25 Cb 0.69 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3dxf h LEU 25 CO -0.20 0.86 -0.40 -0.08 0.09 0.00 0.00 178.44 178.71 3dxf h GLU 26 N 0.01 0.00 0.10 1.13 4.81 -0.41 -3.24 114.58 116.98 3dxf h GLU 26 Ca 0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3dxf h GLU 26 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3dxf h GLU 26 CO 0.05 0.40 -0.05 0.22 -0.73 0.00 0.00 179.01 178.90 3dxf h ASP 27 N 0.00 -0.11 0.00 1.04 3.58 -0.69 -3.48 116.42 116.75 3dxf h ASP 27 Ca -0.00 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.09 3dxf h ASP 27 Cb 0.71 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.79 3dxf h ASP 27 CO 0.05 0.52 0.00 0.61 -2.88 0.00 0.00 179.24 177.54 3dxf n GLY 28 N 1.18 0.49 0.20 -0.78 0.00 -0.45 -4.91 105.19 100.92 3dxf n GLY 28 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.06 3dxf n GLY 28 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dxf h THR 29 N 0.00 0.23 -3.49 2.61 1.35 -1.90 -3.44 112.91 108.26 3dxf h THR 29 Ca 0.00 -1.31 -0.66 0.00 -0.55 0.00 0.00 66.41 63.88 3dxf h THR 29 Cb 0.00 2.10 -0.15 0.00 -1.73 0.00 0.00 68.15 68.38 3dxf h THR 29 CO 0.00 0.13 -0.69 -0.36 -0.25 0.00 0.00 175.52 174.35 3dxf s PHE 30 N -3.15 2.92 0.31 4.73 0.40 -1.26 -4.35 117.98 117.57 3dxf s PHE 30 Ca 0.06 -0.04 -0.27 0.00 -0.60 0.00 0.00 56.93 56.08 3dxf s PHE 30 Cb 0.06 -1.57 -0.09 0.00 0.51 0.00 0.00 43.02 41.93 3dxf s PHE 30 CO 0.69 0.43 1.01 0.15 0.70 0.00 0.00 175.22 178.19 3dxf s LYS 31 N -1.84 4.57 -0.20 0.44 1.02 0.20 -4.81 119.74 119.12 3dxf s LYS 31 Ca 0.21 1.54 -0.01 0.00 0.02 0.00 0.00 55.97 57.73 3dxf s LYS 31 Cb -0.11 -2.96 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 3dxf s LYS 31 CO 0.12 0.22 -0.13 0.08 -0.92 0.00 0.00 175.35 174.72 3dxf s VAL 32 N -1.40 2.61 -0.20 3.17 1.01 -1.26 0.12 120.40 124.45 3dxf s VAL 32 Ca 0.48 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 3dxf s VAL 32 Cb -0.25 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 3dxf s VAL 32 CO 0.31 0.46 -0.02 -0.60 0.00 0.00 0.00 175.10 175.26 3dxf s ARG 33 N 1.36 3.56 -0.21 2.72 3.52 -0.60 -1.15 118.95 128.16 3dxf s ARG 33 Ca 0.05 -0.55 -0.07 0.00 -0.13 0.00 0.00 55.73 55.02 3dxf s ARG 33 Cb -0.14 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3dxf s ARG 33 CO -0.09 -0.02 0.06 0.08 -0.81 0.00 0.00 175.30 174.53 3dxf s VAL 34 N 1.05 4.59 -0.23 7.11 1.01 0.22 -0.12 120.40 134.03 3dxf s VAL 34 Ca 0.02 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 3dxf s VAL 34 Cb -0.14 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 3dxf s VAL 34 CO 0.01 0.41 0.11 -0.69 0.00 0.00 0.00 175.10 174.94 3dxf s VAL 35 N 0.86 4.87 0.03 2.92 1.01 0.14 -0.20 120.40 130.03 3dxf s VAL 35 Ca 0.04 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.05 3dxf s VAL 35 Cb -0.14 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 3dxf s VAL 35 CO 0.02 0.36 -0.08 -0.89 0.00 0.00 0.00 175.10 174.51 3dxf s THR 36 N 1.13 0.61 0.31 3.92 2.01 -0.71 -1.97 115.64 120.95 3dxf s THR 36 Ca 0.06 -0.79 0.24 0.00 0.31 0.00 0.00 61.69 61.50 3dxf s THR 36 Cb -0.14 -0.61 0.24 0.00 0.01 0.00 0.00 72.50 72.00 3dxf s THR 36 CO 0.04 -0.15 1.94 0.00 -0.69 0.00 0.00 174.62 175.77 3dxf h ALA 37 N 5.07 1.20 -2.69 7.40 0.00 -1.83 0.12 119.26 128.53 3dxf h ALA 37 Ca -0.34 -0.19 -0.60 0.00 0.00 0.00 0.00 54.91 53.78 3dxf h ALA 37 Cb 1.19 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 18.54 3dxf h ALA 37 CO 0.44 0.25 -0.72 0.09 0.00 0.00 0.00 179.25 179.32 3dxf n ASN 38 N -3.62 2.00 0.00 0.00 3.02 -1.26 -4.76 115.26 110.63 3dxf n ASN 38 Ca -0.01 -2.99 0.12 0.00 -0.03 0.00 0.00 54.58 51.67 3dxf n ASN 38 Cb 0.34 -0.68 0.70 0.00 -0.61 0.00 0.00 39.78 39.52 3dxf n ASN 38 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3dxf n PRO 39 N 1.99 0.65 -0.29 3.52 -0.04 -1.26 -2.57 135.00 136.99 3dxf n PRO 39 Ca 0.24 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 3dxf n PRO 39 Cb 0.41 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.64 3dxf n PRO 39 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3dxf n ARG 40 N -1.08 2.64 -2.42 0.54 1.74 -1.26 -4.39 116.66 112.42 3dxf n ARG 40 Ca 0.17 -2.50 -0.36 0.00 -0.77 0.00 0.00 57.85 54.39 3dxf n ARG 40 Cb 0.12 -1.54 -0.02 0.00 -1.02 0.00 0.00 32.46 30.00 3dxf n ARG 40 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3dxf s LYS 41 N -1.19 3.81 0.29 5.56 1.02 -1.06 -4.91 119.74 123.25 3dxf s LYS 41 Ca 0.44 1.55 0.03 0.00 0.02 0.00 0.00 55.97 58.01 3dxf s LYS 41 Cb 0.24 -2.28 0.66 0.00 -0.52 0.00 0.00 37.83 35.93 3dxf s LYS 41 CO 0.32 -0.46 1.76 -0.22 -0.92 0.00 0.00 175.35 175.84 3dxf h LYS 42 N 1.87 0.65 -0.53 1.68 3.64 -1.92 -1.40 116.57 120.57 3dxf h LYS 42 Ca -0.49 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3dxf h LYS 42 Cb 1.23 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 3dxf h LYS 42 CO 0.60 0.43 0.33 0.00 -2.27 0.00 0.00 179.45 178.54 3dxf h ALA 43 N 1.62 0.68 -0.66 5.00 0.00 -1.95 -0.48 119.26 123.46 3dxf h ALA 43 Ca 0.53 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.31 3dxf h ALA 43 Cb 0.82 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3dxf h ALA 43 CO -0.39 0.15 0.10 0.00 0.00 0.00 0.00 179.25 179.11 3dxf h ALA 44 N 1.17 0.93 -0.59 0.00 0.00 -1.55 -2.37 119.26 116.84 3dxf h ALA 44 Ca 0.19 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3dxf h ALA 44 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3dxf h ALA 44 CO -0.04 0.66 -0.04 0.87 0.00 0.00 0.00 179.25 180.71 3dxf h LYS 45 N 1.02 1.07 -0.55 0.00 1.57 -1.08 -1.83 116.57 116.77 3dxf h LYS 45 Ca 0.20 -0.36 0.05 0.00 -1.87 0.00 0.00 60.65 58.67 3dxf h LYS 45 Cb 0.44 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 3dxf h LYS 45 CO 0.01 1.06 0.29 1.49 -0.57 0.00 0.00 179.45 181.73 3dxf h GLU 46 N 0.97 0.53 -0.72 3.15 4.57 -0.98 -0.01 114.58 122.09 3dxf h GLU 46 Ca 0.16 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 3dxf h GLU 46 Cb 0.61 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 3dxf h GLU 46 CO 0.04 0.35 0.32 -0.07 -1.18 0.00 0.00 179.01 178.47 3dxf h LEU 47 N 0.55 0.97 -0.38 1.64 3.38 -1.23 0.71 115.31 120.95 3dxf h LEU 47 Ca 0.24 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.14 3dxf h LEU 47 Cb 0.15 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 3dxf h LEU 47 CO -0.16 0.86 -0.10 0.03 0.09 0.00 0.00 178.44 179.15 3dxf h ARG 48 N 1.02 -0.01 -0.45 1.13 2.47 -0.97 -0.77 114.38 116.81 3dxf h ARG 48 Ca 0.24 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.92 3dxf h ARG 48 Cb 0.16 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 3dxf h ARG 48 CO -0.03 -0.00 0.09 -0.07 0.56 0.00 0.00 179.97 180.52 3dxf h LEU 49 N -0.01 0.62 -0.17 3.04 3.38 -0.35 -1.94 115.31 119.89 3dxf h LEU 49 Ca 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dxf h LEU 49 Cb 0.28 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3dxf h LEU 49 CO -0.39 0.63 0.00 0.00 0.09 0.00 0.00 178.44 178.77 3dxf n GLN 50 N -4.30 0.07 0.00 1.13 6.02 0.18 -4.89 117.38 115.59 3dxf n GLN 50 Ca 0.03 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 3dxf n GLN 50 Cb 0.22 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 29.86 3dxf n GLN 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dxf n GLY 51 N 0.36 1.30 3.85 1.08 0.00 -0.73 -4.95 105.19 106.10 3dxf n GLY 51 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3dxf n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxf s ALA 52 N -2.00 3.58 -0.51 4.61 0.00 -0.37 -4.75 121.76 122.33 3dxf s ALA 52 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.53 3dxf s ALA 52 Cb 0.00 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.64 3dxf s ALA 52 CO 0.00 0.46 1.20 -2.00 0.00 0.00 0.00 175.76 175.42 3dxf s GLU 53 N -2.02 3.63 -0.22 0.00 2.12 -0.30 -3.91 118.70 118.00 3dxf s GLU 53 Ca 0.38 0.50 -0.18 0.00 0.36 0.00 0.00 54.97 56.04 3dxf s GLU 53 Cb -0.15 -3.96 -0.03 0.00 0.26 0.00 0.00 34.13 30.25 3dxf s GLU 53 CO 0.19 -1.52 0.49 0.08 -0.54 0.00 0.00 175.26 173.96 3dxf s VAL 54 N 4.79 5.11 0.16 3.70 1.01 -1.26 0.71 120.40 134.61 3dxf s VAL 54 Ca 0.48 0.88 0.09 0.00 0.00 0.00 0.00 61.98 63.43 3dxf s VAL 54 Cb -0.08 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3dxf s VAL 54 CO 0.30 0.16 -0.19 0.68 0.00 0.00 0.00 175.10 176.05 3dxf s VAL 55 N 1.82 1.87 0.37 2.92 -7.23 0.72 -4.96 120.40 115.91 3dxf s VAL 55 Ca 0.22 -1.89 -0.28 0.00 -1.81 0.00 0.00 61.98 58.22 3dxf s VAL 55 Cb -0.15 -1.85 -0.10 0.00 0.56 0.00 0.00 36.38 34.84 3dxf s VAL 55 CO 0.09 -0.27 1.33 -1.58 -0.31 0.00 0.00 175.10 174.36 3dxf s GLN 56 N -2.70 4.18 -0.33 4.82 2.00 -1.26 -1.73 119.66 124.64 3dxf s GLN 56 Ca 0.15 2.23 0.05 0.00 -2.00 0.00 0.00 55.36 55.80 3dxf s GLN 56 Cb -0.06 -2.94 0.18 0.00 0.80 0.00 0.00 33.01 30.99 3dxf s GLN 56 CO 0.07 -0.34 0.54 0.20 -0.50 0.00 0.00 175.29 175.25 3dxf s GLY 57 N -0.55 -1.00 -0.06 2.59 0.00 0.42 -4.75 107.32 103.97 3dxf s GLY 57 Ca 0.52 0.44 -0.17 0.00 0.00 0.00 0.00 44.72 45.52 3dxf s GLY 57 CO 0.53 3.45 0.44 0.51 0.00 0.00 0.00 173.10 178.03 3dxf s ASP 58 N 2.36 6.74 -0.01 1.64 -4.77 -1.26 -2.91 116.67 118.46 3dxf s ASP 58 Ca 0.12 0.88 0.10 0.00 -3.30 0.00 0.00 52.55 50.36 3dxf s ASP 58 Cb -0.09 -2.27 0.31 0.00 -1.09 0.00 0.00 42.92 39.78 3dxf s ASP 58 CO -0.19 0.16 1.23 0.00 0.70 0.00 0.00 175.17 177.07 3dxf n GLN 59 N 2.78 1.89 0.02 2.11 6.02 -1.26 -2.31 117.38 126.63 3dxf n GLN 59 Ca -0.10 -1.25 0.11 0.00 -0.01 0.00 0.00 57.00 55.75 3dxf n GLN 59 Cb 0.52 -1.33 0.02 0.00 1.02 0.00 0.00 30.24 30.47 3dxf n GLN 59 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3dxf n ASP 60 N 0.47 0.62 -4.32 1.08 8.00 -1.26 -4.59 116.55 116.56 3dxf n ASP 60 Ca 0.12 -0.29 -0.35 0.00 0.71 0.00 0.00 54.79 54.98 3dxf n ASP 60 Cb 0.33 0.82 -0.14 0.00 -0.02 0.00 0.00 41.12 42.11 3dxf n ASP 60 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dxf s ASP 61 N -3.78 4.28 -0.09 -2.24 -1.08 -0.98 -5.00 116.67 107.78 3dxf s ASP 61 Ca 0.04 -0.38 -0.26 0.00 -0.52 0.00 0.00 52.55 51.44 3dxf s ASP 61 Cb 0.15 -1.73 -0.27 0.00 -1.46 0.00 0.00 42.92 39.61 3dxf s ASP 61 CO 0.80 0.01 0.86 0.06 0.52 0.00 0.00 175.17 177.42 3dxf h GLN 62 N 7.92 0.14 -0.81 4.34 -0.00 -1.92 -2.35 115.11 122.43 3dxf h GLN 62 Ca -0.40 -0.22 0.17 0.00 -0.00 0.00 0.00 58.65 58.21 3dxf h GLN 62 Cb 1.17 0.08 -0.11 0.00 -0.00 0.00 0.00 27.48 28.61 3dxf h GLN 62 CO 0.60 1.07 0.32 0.28 -0.00 0.00 0.00 178.83 181.10 3dxf h VAL 63 N -0.69 0.57 0.04 1.86 2.07 -1.97 0.44 116.25 118.57 3dxf h VAL 63 Ca -0.06 -0.14 -0.22 0.00 0.82 0.00 0.00 66.70 67.10 3dxf h VAL 63 Cb 1.23 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3dxf h VAL 63 CO 0.06 0.07 -1.01 0.40 0.02 0.00 0.00 177.57 177.12 3dxf h ILE 64 N 0.41 1.56 -0.03 4.57 2.04 -1.91 -1.21 117.51 122.94 3dxf h ILE 64 Ca 0.47 -2.97 -0.20 0.00 1.00 0.00 0.00 64.86 63.16 3dxf h ILE 64 Cb 0.79 2.71 -0.00 0.00 -0.74 0.00 0.00 36.82 39.58 3dxf h ILE 64 CO -0.47 0.86 -0.85 0.24 0.00 0.00 0.00 178.15 177.93 3dxf h MET 65 N 0.07 0.37 -0.56 2.37 2.86 -0.82 -2.76 114.93 116.45 3dxf h MET 65 Ca -0.06 -0.36 -0.10 0.00 -2.06 0.00 0.00 59.70 57.13 3dxf h MET 65 Cb 1.71 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 33.44 3dxf h MET 65 CO 0.15 1.03 -0.03 1.49 1.06 0.00 0.00 176.91 180.60 3dxf h GLU 66 N 0.22 0.99 -0.77 1.72 4.81 -0.12 -1.18 114.58 120.25 3dxf h GLU 66 Ca -0.05 -0.32 0.08 0.00 -0.13 0.00 0.00 59.36 58.93 3dxf h GLU 66 Cb 1.46 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.70 3dxf h GLU 66 CO 0.14 1.00 0.51 -0.07 -0.73 0.00 0.00 179.01 179.85 3dxf h LEU 67 N 0.90 0.69 0.03 1.64 4.07 -1.14 0.10 115.31 121.61 3dxf h LEU 67 Ca 0.16 0.01 -0.23 0.00 0.08 0.00 0.00 57.88 57.90 3dxf h LEU 67 Cb 0.57 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 3dxf h LEU 67 CO 0.03 0.44 -1.06 0.00 -1.08 0.00 0.00 178.44 176.77 3dxf h ALA 68 N 1.59 0.29 0.00 1.53 0.00 -1.24 -3.31 119.26 118.13 3dxf h ALA 68 Ca 0.34 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3dxf h ALA 68 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3dxf h ALA 68 CO -0.12 1.18 -0.45 -0.07 0.00 0.00 0.00 179.25 179.79 3dxf h LEU 69 N 0.02 0.00 -9.37 0.00 4.07 -0.51 -3.47 115.31 106.05 3dxf h LEU 69 Ca -0.04 -0.01 -0.58 0.00 0.08 0.00 0.00 57.88 57.34 3dxf h LEU 69 Cb 1.82 0.00 0.03 0.00 1.08 0.00 0.00 40.66 43.59 3dxf h LEU 69 CO 0.15 0.00 1.09 -3.20 -1.08 0.00 0.00 178.44 175.40 3dxf n ASN 70 N -2.87 3.66 0.00 -0.43 2.85 0.30 -2.38 115.26 116.40 3dxf n ASN 70 Ca 0.02 0.98 0.00 0.00 -0.11 0.00 0.00 54.58 55.47 3dxf n ASN 70 Cb 0.53 -1.45 0.00 0.00 1.24 0.00 0.00 39.78 40.11 3dxf n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3dxf n GLY 71 N 4.26 0.75 3.72 8.20 0.00 -1.26 -5.03 105.19 115.83 3dxf n GLY 71 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3dxf n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxf s ALA 72 N -2.38 3.21 0.01 4.61 0.00 -1.00 -4.58 121.76 121.63 3dxf s ALA 72 Ca 0.00 0.52 -0.25 0.00 0.00 0.00 0.00 51.96 52.23 3dxf s ALA 72 Cb 0.00 -3.28 -0.18 0.00 0.00 0.00 0.00 23.12 19.66 3dxf s ALA 72 CO 0.00 -0.14 1.33 -0.92 0.00 0.00 0.00 175.76 176.03 3dxf h TYR 73 N 6.31 -0.17 -4.56 0.00 3.20 -1.10 -3.41 116.97 117.25 3dxf h TYR 73 Ca -0.42 -0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.20 3dxf h TYR 73 Cb 1.21 0.06 -0.15 0.00 1.54 0.00 0.00 36.73 39.39 3dxf h TYR 73 CO 0.67 0.17 -0.62 0.00 -1.64 0.00 0.00 178.16 176.74 3dxf s ALA 74 N -4.81 1.19 -0.03 1.82 0.00 -0.97 -0.98 121.76 117.98 3dxf s ALA 74 Ca -0.15 -1.70 -0.07 0.00 0.00 0.00 0.00 51.96 50.04 3dxf s ALA 74 Cb 0.03 1.37 0.01 0.00 0.00 0.00 0.00 23.12 24.53 3dxf s ALA 74 CO 0.61 -0.58 0.16 -0.08 0.00 0.00 0.00 175.76 175.87 3dxf s THR 75 N -4.14 0.05 -0.30 0.00 -1.32 -0.94 -0.99 115.64 107.99 3dxf s THR 75 Ca 0.39 -0.39 -0.07 0.00 -1.21 0.00 0.00 61.69 60.41 3dxf s THR 75 Cb 0.07 -0.36 0.01 0.00 -1.51 0.00 0.00 72.50 70.71 3dxf s THR 75 CO 0.12 -0.21 0.08 0.12 -2.21 0.00 0.00 174.62 172.52 3dxf s PHE 76 N -0.75 3.16 -0.17 9.09 5.36 -0.04 -0.35 117.98 134.28 3dxf s PHE 76 Ca -0.08 -1.04 -0.04 0.00 -0.96 0.00 0.00 56.93 54.81 3dxf s PHE 76 Cb -0.05 -2.26 -0.03 0.00 -0.34 0.00 0.00 43.02 40.35 3dxf s PHE 76 CO 0.01 -0.60 -0.02 0.42 -1.46 0.00 0.00 175.22 173.58 3dxf s ILE 77 N 1.49 4.03 0.21 3.12 1.01 -0.11 -1.10 121.20 129.84 3dxf s ILE 77 Ca 0.02 -0.30 0.11 0.00 0.00 0.00 0.00 60.65 60.47 3dxf s ILE 77 Cb -0.17 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 3dxf s ILE 77 CO 0.02 0.48 -0.17 0.68 0.00 0.00 0.00 174.94 175.95 3dxf s VAL 78 N 0.48 2.69 0.06 2.92 -7.23 -1.26 -1.45 120.40 116.60 3dxf s VAL 78 Ca -0.02 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 3dxf s VAL 78 Cb -0.14 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 3dxf s VAL 78 CO 0.02 -0.20 -0.13 0.42 -0.31 0.00 0.00 175.10 174.91 3dxf s THR 79 N -1.91 0.98 -0.16 5.32 -4.23 -1.26 -4.80 115.64 109.57 3dxf s THR 79 Ca 0.25 -1.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 3dxf s THR 79 Cb -0.07 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.82 3dxf s THR 79 CO 0.13 -0.21 -0.18 0.21 -0.54 0.00 0.00 174.62 174.03 3dxf s ASN 80 N -1.57 3.42 -0.04 3.99 3.84 -1.26 -5.00 114.94 118.31 3dxf s ASN 80 Ca -0.03 -0.54 -0.26 0.00 0.21 0.00 0.00 52.86 52.24 3dxf s ASN 80 Cb -0.09 -1.52 -0.21 0.00 -0.55 0.00 0.00 41.25 38.88 3dxf s ASN 80 CO 0.02 0.07 1.17 0.22 -2.79 0.00 0.00 177.10 175.78 3dxf h TYR 81 N 7.42 0.05 0.00 0.43 3.20 -1.92 -3.27 116.97 122.88 3dxf h TYR 81 Ca -0.35 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.51 3dxf h TYR 81 Cb 1.18 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.44 3dxf h TYR 81 CO 0.49 0.62 0.00 0.91 -1.64 0.00 0.00 178.16 178.55 3dxf n TRP 82 N -4.77 0.00 -2.75 -3.82 7.02 -1.26 -1.32 117.44 110.53 3dxf n TRP 82 Ca -0.09 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.35 3dxf n TRP 82 Cb 0.31 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.25 3dxf n TRP 82 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3dxf n GLU 83 N -0.66 1.45 -1.39 -0.99 4.07 -1.23 -5.08 120.64 116.81 3dxf n GLU 83 Ca 0.04 -3.22 -0.24 0.00 -0.06 0.00 0.00 57.16 53.68 3dxf n GLU 83 Cb 0.02 -1.29 -0.08 0.00 -0.06 0.00 0.00 31.44 30.02 3dxf n GLU 83 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3dxf s SER 86 N 0.79 3.91 0.10 0.00 0.15 -1.24 -5.00 113.70 112.40 3dxf s SER 86 Ca 0.61 -1.20 -0.23 0.00 0.70 0.00 0.00 55.95 55.82 3dxf s SER 86 Cb 0.36 -1.21 -0.13 0.00 -1.71 0.00 0.00 66.02 63.33 3dxf s SER 86 CO -0.16 -0.23 1.72 -0.61 1.20 0.00 0.00 173.24 175.16 3dxf h GLN 87 N 7.94 -0.09 -0.15 5.44 4.15 -1.90 -1.46 115.11 129.03 3dxf h GLN 87 Ca -0.18 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.26 3dxf h GLN 87 Cb 1.07 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 3dxf h GLN 87 CO 0.42 -0.06 0.10 1.05 -1.93 0.00 0.00 178.83 178.41 3dxf h GLU 88 N -0.09 0.16 0.23 1.69 4.11 -1.95 -1.02 114.58 117.69 3dxf h GLU 88 Ca 0.01 -0.01 -0.33 0.00 0.07 0.00 0.00 59.36 59.11 3dxf h GLU 88 Cb 0.11 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.35 3dxf h GLU 88 CO -0.03 0.10 -1.43 0.37 0.07 0.00 0.00 179.01 178.10 3dxf h GLN 89 N 0.16 0.52 -0.80 1.06 5.75 -1.94 -2.36 115.11 117.50 3dxf h GLN 89 Ca 0.06 -0.86 0.01 0.00 -0.15 0.00 0.00 58.65 57.71 3dxf h GLN 89 Cb 0.05 0.32 -0.04 0.00 1.07 0.00 0.00 27.48 28.88 3dxf h GLN 89 CO -0.01 1.41 0.53 1.49 -2.65 0.00 0.00 178.83 179.60 3dxf h GLU 90 N 0.15 1.05 0.23 1.69 4.81 -0.88 0.63 114.58 122.27 3dxf h GLU 90 Ca -0.23 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 3dxf h GLU 90 Cb 2.12 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 31.27 3dxf h GLU 90 CO 0.26 0.69 -0.11 0.28 -0.73 0.00 0.00 179.01 179.41 3dxf h VAL 91 N 1.08 0.81 -0.37 0.32 2.07 -1.22 -0.71 116.25 118.23 3dxf h VAL 91 Ca 0.30 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.68 3dxf h VAL 91 Cb -0.11 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 3dxf h VAL 91 CO -0.07 0.05 -0.10 0.50 0.02 0.00 0.00 177.57 177.97 3dxf h LYS 92 N -0.42 -0.01 -0.64 1.57 1.63 -1.07 0.36 116.57 117.99 3dxf h LYS 92 Ca -0.03 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.83 3dxf h LYS 92 Cb 0.32 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.89 3dxf h LYS 92 CO 0.05 -0.01 0.33 1.96 -3.45 0.00 0.00 179.45 178.34 3dxf h GLN 93 N -0.02 0.59 -0.31 1.90 4.20 -0.80 0.19 115.11 120.87 3dxf h GLN 93 Ca 0.18 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.74 3dxf h GLN 93 Cb 0.29 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3dxf h GLN 93 CO -0.39 0.39 -0.29 0.78 -0.67 0.00 0.00 178.83 178.66 3dxf h GLY 94 N 0.61 0.69 1.78 3.46 0.00 -0.37 -2.68 103.07 106.56 3dxf h GLY 94 Ca 0.29 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 3dxf h GLY 94 CO -0.20 0.55 -0.37 0.50 0.00 0.00 0.00 176.54 177.03 3dxf h LYS 95 N 0.55 0.25 -0.19 4.80 1.57 0.31 -1.18 116.57 122.67 3dxf h LYS 95 Ca 0.07 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3dxf h LYS 95 Cb 0.77 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 3dxf h LYS 95 CO 0.06 0.58 0.04 1.25 -0.57 0.00 0.00 179.45 180.82 3dxf h LEU 96 N 0.21 0.30 -0.63 2.94 5.85 -0.81 -0.28 115.31 122.88 3dxf h LEU 96 Ca 0.02 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.43 3dxf h LEU 96 Cb 0.75 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3dxf h LEU 96 CO 0.06 0.46 0.10 -0.07 -0.34 0.00 0.00 178.44 178.65 3dxf h LEU 97 N 0.12 1.01 -0.05 2.25 3.38 -1.37 -1.78 115.31 118.86 3dxf h LEU 97 Ca 0.06 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3dxf h LEU 97 Cb 0.29 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3dxf h LEU 97 CO 0.00 1.01 -0.06 0.00 0.09 0.00 0.00 178.44 179.48 3dxf h ALA 98 N 1.03 -0.01 -0.89 1.53 0.00 -1.15 0.89 119.26 120.66 3dxf h ALA 98 Ca 0.19 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3dxf h ALA 98 Cb 0.44 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3dxf h ALA 98 CO 0.01 -0.54 0.59 -0.44 0.00 0.00 0.00 179.25 178.87 3dxf h ASP 99 N -0.08 1.00 -0.26 0.00 3.32 -0.91 -1.50 116.42 117.99 3dxf h ASP 99 Ca 0.04 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 3dxf h ASP 99 Cb 0.14 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3dxf h ASP 99 CO -0.10 0.71 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.79 3dxf h LEU 100 N 1.17 0.78 -0.51 1.55 3.38 -1.13 0.32 115.31 120.86 3dxf h LEU 100 Ca 0.34 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3dxf h LEU 100 Cb -0.08 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 3dxf h LEU 100 CO -0.09 1.00 0.28 0.00 0.09 0.00 0.00 178.44 179.72 3dxf h ALA 101 N 1.05 0.66 0.25 1.53 0.00 -0.32 -1.11 119.26 121.32 3dxf h ALA 101 Ca 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3dxf h ALA 101 Cb 0.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3dxf h ALA 101 CO 0.06 -0.04 -0.12 -0.09 0.00 0.00 0.00 179.25 179.06 3dxf h ARG 102 N 0.55 -0.33 -0.95 0.00 2.43 -0.99 -1.76 114.38 113.33 3dxf h ARG 102 Ca 0.22 0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.61 3dxf h ARG 102 Cb 0.09 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.63 3dxf h ARG 102 CO -0.13 -0.05 0.61 -0.09 -1.51 0.00 0.00 179.97 178.80 3dxf h ARG 103 N -0.59 0.54 -0.01 0.20 2.43 -0.24 -1.60 114.38 115.10 3dxf h ARG 103 Ca -0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3dxf h ARG 103 Cb 0.43 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3dxf h ARG 103 CO 0.06 0.36 -0.31 1.28 -1.51 0.00 0.00 179.97 179.85 3dxf n LEU 104 N -4.60 1.77 -3.08 3.80 4.77 -0.43 -4.97 117.00 114.25 3dxf n LEU 104 Ca 0.21 -0.60 -0.20 0.00 -0.03 0.00 0.00 56.01 55.39 3dxf n LEU 104 Cb 0.65 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 41.76 3dxf n LEU 104 CO 0.27 0.32 0.20 0.61 -1.33 0.00 0.00 177.39 177.46 3dxf n GLY 105 N 1.36 -0.30 3.72 -0.72 0.00 -0.60 -4.95 105.19 103.71 3dxf n GLY 105 Ca 0.12 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3dxf n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dxf n LEU 106 N -4.23 3.87 0.21 0.99 4.32 -0.70 -4.88 117.00 116.58 3dxf n LEU 106 Ca -0.01 1.21 0.09 0.00 -0.02 0.00 0.00 56.01 57.28 3dxf n LEU 106 Cb 0.56 -1.52 0.41 0.00 -1.62 0.00 0.00 43.42 41.25 3dxf n LEU 106 CO 0.54 -0.30 0.76 -0.74 -1.22 0.00 0.00 177.39 176.43 3dxf h HIS 107 N 2.74 0.00 -1.41 -1.77 2.76 -1.28 -3.46 115.15 112.73 3dxf h HIS 107 Ca -0.47 0.00 0.11 0.00 -2.20 0.00 0.00 60.37 57.81 3dxf h HIS 107 Cb 1.27 0.00 -0.29 0.00 1.55 0.00 0.00 27.41 29.94 3dxf h HIS 107 CO 0.52 0.27 0.60 -0.47 -1.30 0.00 0.00 177.93 177.54 3dxf s TYR 108 N -3.62 -0.33 -0.07 5.26 5.04 -1.22 -4.87 117.35 117.54 3dxf s TYR 108 Ca 0.01 0.79 0.05 0.00 -2.44 0.00 0.00 57.07 55.48 3dxf s TYR 108 Cb 0.10 0.39 -0.00 0.00 0.35 0.00 0.00 41.96 42.80 3dxf s TYR 108 CO 0.65 -0.16 -0.21 0.08 -1.34 0.00 0.00 175.55 174.57 3dxf s VAL 109 N 0.27 1.80 -0.26 3.14 1.01 -0.08 -2.22 120.40 124.05 3dxf s VAL 109 Ca 0.03 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 3dxf s VAL 109 Cb -0.05 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3dxf s VAL 109 CO -0.10 0.51 0.10 -0.69 0.00 0.00 0.00 175.10 174.91 3dxf s VAL 110 N 0.12 4.47 -0.13 2.92 1.01 0.52 -0.95 120.40 128.36 3dxf s VAL 110 Ca -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 3dxf s VAL 110 Cb -0.15 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3dxf s VAL 110 CO 0.05 0.28 -0.06 -0.47 0.00 0.00 0.00 175.10 174.90 3dxf s TYR 111 N 1.63 2.98 -1.17 5.22 5.04 -0.11 -0.94 117.35 129.99 3dxf s TYR 111 Ca 0.06 -0.26 -0.18 0.00 -2.44 0.00 0.00 57.07 54.25 3dxf s TYR 111 Cb -0.16 -1.88 0.10 0.00 0.35 0.00 0.00 41.96 40.37 3dxf s TYR 111 CO 0.05 0.04 1.53 0.45 -1.34 0.00 0.00 175.55 176.28 3dxf s SER 112 N 0.05 6.79 0.47 4.32 0.15 -0.53 -0.13 113.70 124.81 3dxf s SER 112 Ca -0.01 -2.30 0.07 0.00 0.70 0.00 0.00 55.95 54.42 3dxf s SER 112 Cb -0.14 -2.51 0.07 0.00 -1.71 0.00 0.00 66.02 61.73 3dxf s SER 112 CO 0.03 -1.14 0.60 0.61 1.20 0.00 0.00 173.24 174.54 3dxf n GLY 113 N 5.46 2.09 3.34 9.45 0.00 -0.79 -4.73 105.19 120.00 3dxf n GLY 113 Ca 0.39 -2.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 3dxf n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dxf s LEU 114 N 0.00 0.86 0.49 0.99 1.02 -1.26 -3.94 118.68 116.83 3dxf s LEU 114 Ca 0.46 -0.74 -0.23 0.00 0.02 0.00 0.00 54.13 53.64 3dxf s LEU 114 Cb -0.04 1.36 -0.07 0.00 0.02 0.00 0.00 46.19 47.47 3dxf s LEU 114 CO 0.29 -0.89 1.31 -1.61 0.02 0.00 0.00 176.35 175.47 3dxf s GLU 115 N -3.92 3.51 -1.09 1.70 8.01 -1.26 -2.10 118.70 123.54 3dxf s GLU 115 Ca 0.13 2.14 -0.22 0.00 0.01 0.00 0.00 54.97 57.03 3dxf s GLU 115 Cb 0.03 -2.44 -0.01 0.00 -4.31 0.00 0.00 34.13 27.41 3dxf s GLU 115 CO -0.03 -0.87 1.77 1.21 0.01 0.00 0.00 175.26 177.35 3dxf s ASN 116 N -0.95 5.85 0.17 -0.19 3.84 -1.26 -3.65 114.94 118.76 3dxf s ASN 116 Ca 0.66 -1.51 -0.14 0.00 0.21 0.00 0.00 52.86 52.08 3dxf s ASN 116 Cb -0.38 -2.57 0.10 0.00 -0.55 0.00 0.00 41.25 37.84 3dxf s ASN 116 CO 0.46 -2.15 1.81 0.40 -2.79 0.00 0.00 177.10 174.83 3dxf h ILE 117 N 6.50 1.04 -0.70 -5.21 2.04 -1.88 0.06 117.51 119.37 3dxf h ILE 117 Ca 0.23 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.91 3dxf h ILE 117 Cb 0.96 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3dxf h ILE 117 CO 1.33 0.11 0.45 0.50 0.00 0.00 0.00 178.15 180.53 3dxf h LYS 118 N 0.58 0.87 0.13 2.37 3.64 -1.84 -0.71 116.57 121.61 3dxf h LYS 118 Ca 0.20 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3dxf h LYS 118 Cb 0.03 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3dxf h LYS 118 CO -0.10 0.57 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.37 3dxf h LYS 119 N 0.89 -0.17 -0.27 1.90 3.64 -1.77 0.53 116.57 121.33 3dxf h LYS 119 Ca 0.27 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3dxf h LYS 119 Cb -0.03 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3dxf h LYS 119 CO -0.09 0.23 0.14 -0.07 -2.27 0.00 0.00 179.45 177.39 3dxf h LEU 120 N -0.61 0.32 -2.53 5.20 4.07 -0.89 -2.19 115.31 118.69 3dxf h LEU 120 Ca -0.02 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3dxf h LEU 120 Cb 0.47 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.13 3dxf h LEU 120 CO 0.03 0.26 0.00 1.07 -1.08 0.00 0.00 178.44 178.72 3dxf n THR 121 N -4.46 1.23 -4.04 0.22 5.66 -0.28 -4.93 114.28 107.67 3dxf n THR 121 Ca 0.01 -0.93 -0.32 0.00 -3.05 0.00 0.00 64.05 59.76 3dxf n THR 121 Cb 0.10 0.23 -0.00 0.00 -1.55 0.00 0.00 70.33 69.11 3dxf n THR 121 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3dxf n ALA 122 N 1.13 -1.38 -0.96 1.79 0.00 -0.82 -2.28 120.51 117.98 3dxf n ALA 122 Ca 0.22 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3dxf n ALA 122 Cb 0.66 -3.65 0.00 0.00 0.00 0.00 0.00 19.45 16.46 3dxf n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxf n GLY 123 N -1.59 0.82 0.17 0.00 0.00 0.18 -4.91 105.19 99.86 3dxf n GLY 123 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3dxf n GLY 123 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dxf h ARG 124 N 2.39 0.00 -4.46 1.61 3.08 -1.69 -3.44 114.38 111.87 3dxf h ARG 124 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 3dxf h ARG 124 Cb 0.00 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 29.81 3dxf h ARG 124 CO 0.00 0.03 -0.74 -0.51 -1.07 0.00 0.00 179.97 177.68 3dxf s LEU 125 N -5.84 2.15 -0.11 3.04 1.43 -1.26 -5.13 118.68 112.96 3dxf s LEU 125 Ca 0.03 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 52.68 3dxf s LEU 125 Cb 0.07 -0.21 0.03 0.00 0.03 0.00 0.00 46.19 46.11 3dxf s LEU 125 CO 0.73 -0.09 0.28 0.00 0.23 0.00 0.00 176.35 177.49 3dxf s ALA 126 N -0.86 -0.69 -0.16 4.21 0.00 -1.26 -2.78 121.76 120.21 3dxf s ALA 126 Ca -0.05 0.81 -0.04 0.00 0.00 0.00 0.00 51.96 52.68 3dxf s ALA 126 Cb -0.07 -0.48 0.07 0.00 0.00 0.00 0.00 23.12 22.64 3dxf s ALA 126 CO 0.00 -0.14 0.14 0.00 0.00 0.00 0.00 175.76 175.76 3dxf s ALA 127 N 0.24 0.11 0.30 0.00 0.00 -1.26 -4.74 121.76 116.40 3dxf s ALA 127 Ca -0.01 0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.04 3dxf s ALA 127 Cb -0.03 -1.06 0.75 0.00 0.00 0.00 0.00 23.12 22.79 3dxf s ALA 127 CO -0.00 -1.05 1.74 0.00 0.00 0.00 0.00 175.76 176.45 3dxf h ALA 128 N 8.38 1.60 0.00 0.00 0.00 -1.96 0.34 119.26 127.62 3dxf h ALA 128 Ca -0.15 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dxf h ALA 128 Cb 1.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3dxf h ALA 128 CO 0.26 -0.20 0.00 -2.39 0.00 0.00 0.00 179.25 176.92 3dxf n HIS 129 N -4.89 0.62 -0.12 0.00 1.44 -1.26 -2.54 115.22 108.48 3dxf n HIS 129 Ca 0.23 0.22 -0.21 0.00 -2.01 0.00 0.00 57.72 55.96 3dxf n HIS 129 Cb 0.63 -0.86 -0.07 0.00 0.12 0.00 0.00 29.99 29.81 3dxf n HIS 129 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 3dxf n PHE 130 N -2.05 0.01 -0.35 -1.40 3.01 0.32 -4.58 117.46 112.42 3dxf n PHE 130 Ca 0.04 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.58 3dxf n PHE 130 Cb 0.28 -0.78 0.25 0.00 -0.01 0.00 0.00 39.48 39.22 3dxf n PHE 130 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3dxf h ASP 131 N -1.00 0.84 -0.16 4.37 3.32 -0.50 -1.31 116.42 121.97 3dxf h ASP 131 Ca -0.39 0.06 0.05 0.00 0.02 0.00 0.00 57.03 56.77 3dxf h ASP 131 Cb 1.34 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 3dxf h ASP 131 CO -0.24 0.41 -0.16 1.23 -1.72 0.00 0.00 179.24 178.77 3dxf h GLY 132 N 0.90 -0.07 1.00 2.75 0.00 -1.72 -0.78 103.07 105.14 3dxf h GLY 132 Ca 0.50 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 48.02 3dxf h GLY 132 CO -0.30 -0.16 0.38 0.50 0.00 0.00 0.00 176.54 176.96 3dxf h LYS 133 N -0.18 0.91 -0.59 4.80 1.57 -1.53 -1.97 116.57 119.57 3dxf h LYS 133 Ca 0.11 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3dxf h LYS 133 Cb 0.34 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3dxf h LYS 133 CO -0.27 0.67 0.35 0.78 -0.57 0.00 0.00 179.45 180.41 3dxf h GLY 134 N 0.90 0.86 1.95 3.86 0.00 -0.73 0.35 103.07 110.26 3dxf h GLY 134 Ca 0.23 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 3dxf h GLY 134 CO -0.04 0.34 -0.50 0.83 0.00 0.00 0.00 176.54 177.16 3dxf h GLU 135 N 0.82 0.05 0.00 4.80 5.08 -0.63 -2.58 114.58 122.12 3dxf h GLU 135 Ca 0.21 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.34 3dxf h GLU 135 Cb -0.03 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.24 3dxf h GLU 135 CO -0.04 0.54 -0.80 0.28 -1.00 0.00 0.00 179.01 178.00 3dxf h VAL 136 N 0.04 1.36 -0.46 3.13 2.07 -0.63 -2.41 116.25 119.36 3dxf h VAL 136 Ca -0.00 -2.16 0.09 0.00 0.82 0.00 0.00 66.70 65.45 3dxf h VAL 136 Cb 0.90 2.51 -0.08 0.00 -1.52 0.00 0.00 31.29 33.11 3dxf h VAL 136 CO 0.07 0.65 -0.03 -0.33 0.02 0.00 0.00 177.57 177.95 3dxf h GLU 137 N 0.11 0.08 -0.57 1.57 5.08 -0.93 -0.17 114.58 119.74 3dxf h GLU 137 Ca -0.10 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3dxf h GLU 137 Cb 1.49 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.69 3dxf h GLU 137 CO 0.16 0.05 0.37 0.93 -1.00 0.00 0.00 179.01 179.52 3dxf h GLU 138 N 0.08 0.76 -0.58 2.33 5.08 -1.52 -3.06 114.58 117.68 3dxf h GLU 138 Ca 0.23 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3dxf h GLU 138 Cb 0.34 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3dxf h GLU 138 CO -0.40 0.52 0.24 -0.92 -1.00 0.00 0.00 179.01 177.45 3dxf h TYR 139 N 0.77 0.87 -0.99 4.33 3.20 -0.79 0.40 116.97 124.76 3dxf h TYR 139 Ca 0.21 -0.06 0.14 0.00 3.14 0.00 0.00 58.73 62.16 3dxf h TYR 139 Cb -0.07 -0.26 -0.09 0.00 1.54 0.00 0.00 36.73 37.85 3dxf h TYR 139 CO -0.03 0.69 0.61 0.74 -1.64 0.00 0.00 178.16 178.53 3dxf h PHE 140 N 0.79 1.09 0.11 -3.82 -1.00 -0.96 -0.33 116.94 112.83 3dxf h PHE 140 Ca 0.19 0.03 -0.28 0.00 2.81 0.00 0.00 57.97 60.73 3dxf h PHE 140 Cb 0.18 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 39.40 3dxf h PHE 140 CO 0.01 0.37 -1.35 0.00 -1.61 0.00 0.00 178.31 175.73 3dxf h ARG 141 N 0.90 0.24 -0.75 1.51 3.08 -1.40 0.89 114.38 118.86 3dxf h ARG 141 Ca 0.51 -0.41 0.03 0.00 0.07 0.00 0.00 59.98 60.18 3dxf h ARG 141 Cb 0.60 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.76 3dxf h ARG 141 CO -0.30 1.15 0.49 -0.44 -1.07 0.00 0.00 179.97 179.80 3dxf h ASP 142 N 0.07 0.79 -0.48 7.04 3.32 -0.20 -2.24 116.42 124.70 3dxf h ASP 142 Ca -0.17 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3dxf h ASP 142 Cb 1.98 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 41.35 3dxf h ASP 142 CO 0.18 0.54 0.00 2.30 -1.72 0.00 0.00 179.24 180.54 3dxf n ILE 143 N -4.45 0.81 -1.62 0.35 -5.35 -0.20 -4.96 119.36 103.95 3dxf n ILE 143 Ca 0.09 -0.70 -0.02 0.00 -0.27 0.00 0.00 62.75 61.86 3dxf n ILE 143 Cb 0.11 0.25 -0.00 0.00 -1.74 0.00 0.00 39.64 38.26 3dxf n ILE 143 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dxf n GLY 144 N 1.18 0.39 3.69 3.28 0.00 -0.84 -5.00 105.19 107.89 3dxf n GLY 144 Ca 0.17 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 3dxf n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxf s VAL 145 N -2.07 5.10 -0.29 1.61 1.01 0.30 -5.01 120.40 121.05 3dxf s VAL 145 Ca 0.00 1.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.76 3dxf s VAL 145 Cb 0.00 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3dxf s VAL 145 CO 0.00 0.21 1.90 -2.16 0.00 0.00 0.00 175.10 175.05 3dxf s PRO 146 N 1.30 3.33 -0.10 2.72 0.04 -1.26 -4.40 135.00 136.62 3dxf s PRO 146 Ca 0.27 1.62 -0.06 0.00 0.04 0.00 0.00 61.00 62.87 3dxf s PRO 146 Cb -0.16 -4.23 0.04 0.00 0.04 0.00 0.00 34.50 30.19 3dxf s PRO 146 CO 0.11 -1.86 0.25 1.41 0.04 0.00 0.00 177.00 176.95 3dxf s MET 147 N 5.74 0.24 -0.17 4.56 1.75 -1.26 -0.91 119.30 129.25 3dxf s MET 147 Ca 0.85 0.48 -0.05 0.00 -1.25 0.00 0.00 55.69 55.72 3dxf s MET 147 Cb -0.26 -0.03 -0.03 0.00 2.84 0.00 0.00 34.83 37.35 3dxf s MET 147 CO 0.34 -0.12 -0.01 0.99 -0.65 0.00 0.00 175.02 175.57 3dxf s THR 148 N 0.90 4.07 -0.07 10.11 2.01 -0.13 -1.73 115.64 130.80 3dxf s THR 148 Ca -0.06 -0.29 -0.16 0.00 0.31 0.00 0.00 61.69 61.49 3dxf s THR 148 Cb -0.07 -2.81 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 3dxf s THR 148 CO -0.06 0.47 0.43 -0.55 -0.69 0.00 0.00 174.62 174.21 3dxf s SER 149 N 0.57 6.71 -0.23 3.53 0.15 -0.43 -0.94 113.70 123.05 3dxf s SER 149 Ca -0.01 0.84 -0.06 0.00 0.70 0.00 0.00 55.95 57.42 3dxf s SER 149 Cb -0.14 -2.26 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 3dxf s SER 149 CO 0.02 0.15 0.04 0.68 1.20 0.00 0.00 173.24 175.33 3dxf s VAL 150 N -0.12 4.12 -0.43 4.45 -7.23 0.81 -0.49 120.40 121.52 3dxf s VAL 150 Ca 0.24 -0.24 -0.14 0.00 -1.81 0.00 0.00 61.98 60.03 3dxf s VAL 150 Cb -0.16 -2.91 0.05 0.00 0.56 0.00 0.00 36.38 33.93 3dxf s VAL 150 CO 0.11 0.37 0.31 -0.13 -0.31 0.00 0.00 175.10 175.45 3dxf s ARG 151 N 1.44 2.90 0.11 4.82 0.52 0.66 -1.89 118.95 127.51 3dxf s ARG 151 Ca 0.05 -1.21 -0.24 0.00 -0.52 0.00 0.00 55.73 53.82 3dxf s ARG 151 Cb -0.15 -3.97 -0.07 0.00 0.52 0.00 0.00 34.95 31.28 3dxf s ARG 151 CO 0.02 -0.87 0.73 -0.51 0.02 0.00 0.00 175.30 174.69 3dxf s LEU 152 N 1.61 4.53 0.00 2.53 1.02 -1.26 0.19 118.68 127.30 3dxf s LEU 152 Ca 0.04 1.50 -0.06 0.00 0.02 0.00 0.00 54.13 55.63 3dxf s LEU 152 Cb -0.21 -3.19 0.15 0.00 0.02 0.00 0.00 46.19 42.95 3dxf s LEU 152 CO 0.07 0.16 0.96 -0.81 0.02 0.00 0.00 176.35 176.75 3dxf n PRO 153 N 2.03 -0.47 -1.66 1.29 -0.04 -1.26 -4.94 135.00 129.95 3dxf n PRO 153 Ca -0.06 -2.03 -0.50 0.00 -0.04 0.00 0.00 63.50 60.87 3dxf n PRO 153 Cb 0.50 -0.81 -0.05 0.00 -0.04 0.00 0.00 33.50 33.09 3dxf n PRO 153 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dxf s TYR 155 N 1.94 2.92 0.39 0.00 2.02 -1.26 -3.29 117.35 120.07 3dxf s TYR 155 Ca 0.87 1.57 0.06 0.00 -0.37 0.00 0.00 57.07 59.20 3dxf s TYR 155 Cb -0.82 -3.22 0.78 0.00 -0.40 0.00 0.00 41.96 38.31 3dxf s TYR 155 CO 0.48 -1.18 2.01 0.74 -1.57 0.00 0.00 175.55 176.03 3dxf h PHE 156 N 1.74 0.54 0.00 2.71 0.04 -1.61 -2.08 116.94 118.28 3dxf h PHE 156 Ca -0.49 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.27 3dxf h PHE 156 Cb 1.24 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.21 3dxf h PHE 156 CO 0.54 0.39 0.13 0.93 -0.60 0.00 0.00 178.31 179.70 3dxf h GLU 157 N 0.57 0.00 0.00 1.51 3.07 -1.92 -0.20 114.58 117.61 3dxf h GLU 157 Ca 0.15 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 3dxf h GLU 157 Cb 0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3dxf h GLU 157 CO -0.02 0.00 -0.07 -0.91 -1.40 0.00 0.00 179.01 176.60 3dxf h ASN 158 N 0.00 0.00 0.34 1.42 2.35 -1.75 -1.81 115.58 116.13 3dxf h ASN 158 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dxf h ASN 158 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3dxf h ASN 158 CO 0.00 0.07 0.00 0.18 -1.65 0.00 0.00 177.43 176.03 3dxf n LEU 159 N -3.73 0.00 0.03 1.61 4.77 -0.09 -0.72 117.00 118.87 3dxf n LEU 159 Ca -0.02 0.36 0.11 0.00 -0.03 0.00 0.00 56.01 56.42 3dxf n LEU 159 Cb 0.17 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.83 3dxf n LEU 159 CO 0.29 -0.19 -0.32 0.18 -1.33 0.00 0.00 177.39 176.02 3dxf n LEU 160 N -1.36 0.44 0.00 2.23 4.77 -0.68 -3.41 117.00 118.99 3dxf n LEU 160 Ca 0.06 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3dxf n LEU 160 Cb 0.13 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3dxf n LEU 160 CO 0.12 -0.01 0.00 -1.54 -1.33 0.00 0.00 177.39 174.62 3dxf n SER 161 N -2.22 0.00 -0.33 -1.43 3.41 -0.81 -4.73 113.62 107.51 3dxf n SER 161 Ca -0.01 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.63 3dxf n SER 161 Cb 0.51 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.64 3dxf n SER 161 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3dxf h HIS 162 N 0.00 1.04 -0.25 7.33 3.86 -1.78 -2.89 115.15 122.47 3dxf h HIS 162 Ca 0.00 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 3dxf h HIS 162 Cb 0.00 -0.33 -0.05 0.00 1.06 0.00 0.00 27.41 28.08 3dxf h HIS 162 CO 0.00 0.48 -0.08 1.19 0.86 0.00 0.00 177.93 180.39 3dxf n PHE 163 N -4.62 0.81 -1.68 2.45 3.72 0.10 -5.01 117.46 113.23 3dxf n PHE 163 Ca 0.15 -1.29 -0.43 0.00 -0.05 0.00 0.00 57.45 55.83 3dxf n PHE 163 Cb 0.24 -0.37 -0.03 0.00 -0.94 0.00 0.00 39.48 38.38 3dxf n PHE 163 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3dxf n LEU 164 N -0.98 4.06 -4.68 4.37 7.94 -1.09 -4.68 117.00 121.93 3dxf n LEU 164 Ca 0.26 0.95 -0.45 0.00 -1.11 0.00 0.00 56.01 55.67 3dxf n LEU 164 Cb 0.91 -1.53 -0.03 0.00 0.53 0.00 0.00 43.42 43.31 3dxf n LEU 164 CO 0.14 0.17 1.11 -2.65 -1.11 0.00 0.00 177.39 175.04 3dxf n PRO 165 N 6.49 2.18 -3.51 1.96 -0.02 -1.26 -4.89 135.00 135.95 3dxf n PRO 165 Ca 0.19 0.78 -0.37 0.00 -2.02 0.00 0.00 63.50 62.08 3dxf n PRO 165 Cb 0.38 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.31 3dxf n PRO 165 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3dxf s GLN 166 N 0.03 3.89 0.14 -0.52 -1.52 -0.74 -4.80 119.66 116.13 3dxf s GLN 166 Ca 0.71 0.37 -0.33 0.00 -1.95 0.00 0.00 55.36 54.16 3dxf s GLN 166 Cb -0.63 -3.17 -0.13 0.00 -0.22 0.00 0.00 33.01 28.86 3dxf s GLN 166 CO 0.45 0.66 1.66 1.17 -0.25 0.00 0.00 175.29 178.99 3dxf n LYS 167 N 1.61 2.32 -1.41 2.91 4.81 -1.26 -0.43 118.16 126.71 3dxf n LYS 167 Ca -0.13 0.84 -0.31 0.00 -0.87 0.00 0.00 58.31 57.85 3dxf n LYS 167 Cb 0.52 -2.64 0.07 0.00 0.02 0.00 0.00 35.03 33.00 3dxf n LYS 167 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3dxf s ALA 168 N 1.48 2.44 0.55 3.14 0.00 0.12 -4.81 121.76 124.68 3dxf s ALA 168 Ca 0.80 0.17 0.24 0.00 0.00 0.00 0.00 51.96 53.17 3dxf s ALA 168 Cb -0.63 -3.22 1.45 0.00 0.00 0.00 0.00 23.12 20.72 3dxf s ALA 168 CO 0.38 -1.53 2.06 -1.35 0.00 0.00 0.00 175.76 175.32 3dxf h PRO 169 N -0.95 0.00 0.00 0.00 0.11 -1.93 0.14 132.00 129.37 3dxf h PRO 169 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3dxf h PRO 169 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3dxf h PRO 169 CO 0.54 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.93 3dxf n ASP 170 N -4.22 0.00 -0.40 -2.05 5.68 -1.26 -4.88 116.55 109.41 3dxf n ASP 170 Ca 0.04 -0.60 -0.05 0.00 -0.50 0.00 0.00 54.79 53.69 3dxf n ASP 170 Cb 0.41 -0.03 -0.02 0.00 -1.14 0.00 0.00 41.12 40.34 3dxf n ASP 170 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dxf n GLY 171 N 0.33 0.45 0.85 6.12 0.00 0.50 -4.68 105.19 108.75 3dxf n GLY 171 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 3dxf n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dxf n LYS 172 N 0.04 0.01 -3.92 1.61 5.02 -1.26 -4.98 118.16 114.68 3dxf n LYS 172 Ca -0.05 -1.36 -0.09 0.00 -2.02 0.00 0.00 58.31 54.80 3dxf n LYS 172 Cb 0.46 -0.33 -0.03 0.00 -0.02 0.00 0.00 35.03 35.11 3dxf n LYS 172 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dxf s SER 173 N -1.36 -0.07 0.16 4.39 1.04 -1.26 -4.60 113.70 112.00 3dxf s SER 173 Ca 0.12 -0.87 0.06 0.00 0.48 0.00 0.00 55.95 55.74 3dxf s SER 173 Cb 0.14 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.91 3dxf s SER 173 CO -0.06 -1.33 -0.13 -0.31 0.98 0.00 0.00 173.24 172.39 3dxf s TYR 174 N -3.63 1.48 -0.10 5.02 2.02 0.25 0.12 117.35 122.51 3dxf s TYR 174 Ca 0.17 -0.62 0.04 0.00 -0.37 0.00 0.00 57.07 56.29 3dxf s TYR 174 Cb -0.04 -0.73 -0.00 0.00 -0.40 0.00 0.00 41.96 40.79 3dxf s TYR 174 CO 0.09 0.21 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.54 3dxf s LEU 175 N -2.97 2.15 -0.22 -1.29 1.43 0.42 0.56 118.68 118.77 3dxf s LEU 175 Ca 0.16 -0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 3dxf s LEU 175 Cb -0.01 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 3dxf s LEU 175 CO 0.04 0.17 0.09 -0.22 0.23 0.00 0.00 176.35 176.66 3dxf s LEU 176 N 0.31 3.78 -0.55 1.79 2.96 0.38 -1.79 118.68 125.56 3dxf s LEU 176 Ca -0.17 -0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.63 3dxf s LEU 176 Cb -0.18 -1.99 0.14 0.00 0.50 0.00 0.00 46.19 44.66 3dxf s LEU 176 CO 0.08 0.07 0.43 -0.44 -1.32 0.00 0.00 176.35 175.18 3dxf s SER 177 N 0.99 5.85 -0.31 3.68 0.01 -1.26 -1.01 113.70 121.65 3dxf s SER 177 Ca 0.05 -2.12 -0.02 0.00 1.31 0.00 0.00 55.95 55.17 3dxf s SER 177 Cb -0.14 -2.04 0.12 0.00 0.21 0.00 0.00 66.02 64.17 3dxf s SER 177 CO 0.03 -0.66 0.20 -0.22 0.41 0.00 0.00 173.24 173.01 3dxf s LEU 178 N 1.06 0.38 -0.58 2.44 2.96 -1.26 -4.87 118.68 118.80 3dxf s LEU 178 Ca 0.08 -1.34 -0.06 0.00 -0.22 0.00 0.00 54.13 52.59 3dxf s LEU 178 Cb -0.24 -0.07 -0.12 0.00 0.50 0.00 0.00 46.19 46.26 3dxf s LEU 178 CO -0.02 -0.39 2.50 -0.81 -1.32 0.00 0.00 176.35 176.31 3dxf n PRO 179 N 4.97 1.98 0.13 0.98 -0.04 -1.26 -4.41 135.00 137.35 3dxf n PRO 179 Ca -0.00 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 3dxf n PRO 179 Cb 0.42 -2.21 0.08 0.00 -0.04 0.00 0.00 33.50 31.76 3dxf n PRO 179 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3dxf h THR 180 N 2.83 1.19 0.00 0.52 1.35 -1.88 -3.39 112.91 113.53 3dxf h THR 180 Ca 0.38 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 3dxf h THR 180 Cb 0.60 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 3dxf h THR 180 CO 0.95 0.61 0.00 0.61 -0.25 0.00 0.00 175.52 177.45 3dxf n GLY 181 N 0.88 1.06 0.74 5.82 0.00 -1.26 -2.93 105.19 109.49 3dxf n GLY 181 Ca 0.00 -0.76 0.09 0.00 0.00 0.00 0.00 46.02 45.35 3dxf n GLY 181 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dxf n ASP 182 N 1.74 2.17 -4.61 1.61 8.00 -1.26 -4.31 116.55 119.90 3dxf n ASP 182 Ca 0.00 -1.89 -0.40 0.00 0.71 0.00 0.00 54.79 53.22 3dxf n ASP 182 Cb 0.00 -0.21 -0.08 0.00 -0.02 0.00 0.00 41.12 40.80 3dxf n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dxf s VAL 183 N -1.57 5.12 0.12 2.53 1.01 -1.15 -4.92 120.40 121.53 3dxf s VAL 183 Ca 0.31 0.70 -0.31 0.00 0.00 0.00 0.00 61.98 62.68 3dxf s VAL 183 Cb 0.17 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 3dxf s VAL 183 CO 0.23 0.10 1.71 -2.84 0.00 0.00 0.00 175.10 174.31 3dxf s PRO 184 N 2.20 4.17 -0.13 2.72 0.02 -1.26 -4.46 135.00 138.26 3dxf s PRO 184 Ca 0.18 2.47 -0.11 0.00 0.02 0.00 0.00 61.00 63.55 3dxf s PRO 184 Cb -0.16 -3.44 -0.05 0.00 0.02 0.00 0.00 34.50 30.87 3dxf s PRO 184 CO 0.10 -0.75 0.24 1.41 -0.33 0.00 0.00 177.00 177.66 3dxf s MET 185 N 2.20 3.97 0.56 5.54 1.75 0.11 -4.63 119.30 128.81 3dxf s MET 185 Ca 0.76 0.03 -0.19 0.00 -1.25 0.00 0.00 55.69 55.03 3dxf s MET 185 Cb -0.44 -3.33 -0.05 0.00 2.84 0.00 0.00 34.83 33.85 3dxf s MET 185 CO 0.33 0.46 1.15 -0.51 -0.65 0.00 0.00 175.02 175.81 3dxf s ASP 186 N -0.19 5.55 0.20 1.11 1.01 -1.26 -1.38 116.67 121.71 3dxf s ASP 186 Ca 0.16 2.22 -0.22 0.00 0.71 0.00 0.00 52.55 55.41 3dxf s ASP 186 Cb -0.13 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.27 3dxf s ASP 186 CO 0.04 -1.34 0.64 -0.83 0.21 0.00 0.00 175.17 173.90 3dxf s GLY 187 N -1.77 -0.43 0.10 0.21 0.00 -0.91 -4.02 107.32 100.51 3dxf s GLY 187 Ca 0.74 0.20 -0.25 0.00 0.00 0.00 0.00 44.72 45.40 3dxf s GLY 187 CO 0.29 0.07 0.78 -3.16 0.00 0.00 0.00 173.10 171.07 3dxf s MET 188 N -3.81 1.12 -0.00 2.90 0.23 -1.21 -1.14 119.30 117.39 3dxf s MET 188 Ca 0.05 -0.47 -0.29 0.00 -1.03 0.00 0.00 55.69 53.95 3dxf s MET 188 Cb -0.03 0.48 -0.03 0.00 -1.53 0.00 0.00 34.83 33.72 3dxf s MET 188 CO -0.06 -0.50 0.93 0.45 -2.03 0.00 0.00 175.02 173.81 3dxf s SER 189 N -2.68 7.31 0.51 -1.18 0.15 -1.26 -1.45 113.70 115.11 3dxf s SER 189 Ca 0.05 1.59 0.23 0.00 0.70 0.00 0.00 55.95 58.52 3dxf s SER 189 Cb -0.01 -2.54 1.39 0.00 -1.71 0.00 0.00 66.02 63.14 3dxf s SER 189 CO -0.08 -0.21 2.09 1.62 1.20 0.00 0.00 173.24 177.86 3dxf h VAL 190 N 4.72 0.75 0.00 4.45 3.04 -1.94 -1.94 116.25 125.32 3dxf h VAL 190 Ca -0.41 -0.42 -0.02 0.00 -1.01 0.00 0.00 66.70 64.84 3dxf h VAL 190 Cb 1.22 1.25 -0.00 0.00 -2.01 0.00 0.00 31.29 31.75 3dxf h VAL 190 CO 0.75 0.11 -0.09 0.28 -1.01 0.00 0.00 177.57 177.60 3dxf h SER 191 N 0.00 0.00 0.02 3.17 0.02 -1.93 -1.94 113.55 112.89 3dxf h SER 191 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dxf h SER 191 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3dxf h SER 191 CO 0.01 0.09 -0.02 0.47 -1.14 0.00 0.00 176.83 176.24 3dxf n ASP 192 N -3.52 1.22 -0.12 3.07 8.00 -0.73 -3.90 116.55 120.58 3dxf n ASP 192 Ca -0.02 -1.36 -0.10 0.00 0.71 0.00 0.00 54.79 54.03 3dxf n ASP 192 Cb 0.22 0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.36 3dxf n ASP 192 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3dxf h LEU 193 N 1.89 0.92 -0.44 0.64 5.85 -1.43 -3.36 115.31 119.39 3dxf h LEU 193 Ca 0.00 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.41 3dxf h LEU 193 Cb 0.43 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 3dxf h LEU 193 CO 0.00 1.12 -0.43 1.23 -0.34 0.00 0.00 178.44 180.02 3dxf h GLY 194 N 0.91 -1.27 1.55 3.75 0.00 -1.74 -2.43 103.07 103.83 3dxf h GLY 194 Ca 0.10 0.79 0.04 0.00 0.00 0.00 0.00 47.33 48.26 3dxf h GLY 194 CO 0.07 -0.26 0.22 -2.55 0.00 0.00 0.00 176.54 174.01 3dxf h PRO 195 N -0.21 0.26 -0.43 4.80 0.11 -1.86 -2.28 132.00 132.39 3dxf h PRO 195 Ca 0.07 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 3dxf h PRO 195 Cb 0.41 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 3dxf h PRO 195 CO -0.52 0.17 -0.01 -0.39 -0.21 0.00 0.00 178.00 177.04 3dxf h VAL 196 N 0.27 1.23 -0.17 3.15 -1.51 -1.57 -1.16 116.25 116.49 3dxf h VAL 196 Ca 0.14 -0.95 -0.18 0.00 -1.23 0.00 0.00 66.70 64.47 3dxf h VAL 196 Cb 0.21 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 30.28 3dxf h VAL 196 CO -0.03 0.33 -0.63 0.58 -1.23 0.00 0.00 177.57 176.59 3dxf h VAL 197 N 0.67 1.32 -0.74 7.19 2.07 -1.13 -2.22 116.25 123.40 3dxf h VAL 197 Ca 0.13 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.73 3dxf h VAL 197 Cb 0.42 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 3dxf h VAL 197 CO 0.02 0.59 0.37 0.25 0.02 0.00 0.00 177.57 178.82 3dxf h LEU 198 N 0.45 0.96 0.04 2.57 5.85 -1.24 0.11 115.31 124.05 3dxf h LEU 198 Ca -0.01 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3dxf h LEU 198 Cb 1.21 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3dxf h LEU 198 CO 0.12 0.81 -0.07 0.28 -0.34 0.00 0.00 178.44 179.24 3dxf h SER 199 N 1.04 -0.20 -0.56 1.25 0.02 -1.11 -1.56 113.55 112.42 3dxf h SER 199 Ca 0.26 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.31 3dxf h SER 199 Cb 0.10 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.65 3dxf h SER 199 CO -0.03 -0.11 0.23 -0.07 -1.14 0.00 0.00 176.83 175.70 3dxf h LEU 200 N -0.15 0.26 -1.26 5.07 4.07 -1.09 -2.35 115.31 119.86 3dxf h LEU 200 Ca 0.02 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 3dxf h LEU 200 Cb 0.16 0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 3dxf h LEU 200 CO -0.05 0.17 0.43 -0.07 -1.08 0.00 0.00 178.44 177.84 3dxf h LEU 201 N 0.43 0.81 -0.23 1.67 4.07 -0.51 -2.01 115.31 119.54 3dxf h LEU 201 Ca 0.27 -0.04 -0.16 0.00 0.08 0.00 0.00 57.88 58.03 3dxf h LEU 201 Cb 0.28 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 3dxf h LEU 201 CO -0.25 0.62 -0.78 0.11 -1.08 0.00 0.00 178.44 177.06 3dxf h LYS 202 N 0.95 0.00 -1.90 1.13 1.57 -1.00 -3.37 116.57 113.94 3dxf h LYS 202 Ca 0.25 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.51 3dxf h LYS 202 Cb -0.06 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 31.84 3dxf h LYS 202 CO -0.05 0.78 -0.93 -1.33 -0.57 0.00 0.00 179.45 177.35 3dxf n MET 203 N -3.43 2.17 -0.33 3.15 2.81 -0.91 -4.94 117.12 115.64 3dxf n MET 203 Ca 0.00 -4.06 0.01 0.00 -1.81 0.00 0.00 57.70 51.84 3dxf n MET 203 Cb 0.80 -1.91 0.18 0.00 -0.71 0.00 0.00 33.22 31.58 3dxf n MET 203 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3dxf h PRO 204 N 2.93 1.14 0.00 0.03 0.13 -1.55 -1.80 132.00 132.88 3dxf h PRO 204 Ca 0.11 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3dxf h PRO 204 Cb 0.82 -0.26 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 3dxf h PRO 204 CO 0.67 0.76 -0.01 1.05 -0.23 0.00 0.00 178.00 180.24 3dxf h GLU 205 N 1.18 0.00 0.00 0.86 9.09 -1.92 -0.66 114.58 123.13 3dxf h GLU 205 Ca 0.38 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.56 3dxf h GLU 205 Cb 0.03 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.10 3dxf h GLU 205 CO -0.12 0.01 -1.22 0.87 0.05 0.00 0.00 179.01 178.60 3dxf h LYS 206 N 0.00 0.00 0.00 1.06 1.79 -1.70 -3.39 116.57 114.33 3dxf h LYS 206 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3dxf h LYS 206 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3dxf h LYS 206 CO 0.00 0.84 -0.30 0.66 -1.08 0.00 0.00 179.45 179.57 3dxf n TYR 207 N -3.25 0.00 -1.74 -1.35 4.02 -0.95 -5.03 117.16 108.84 3dxf n TYR 207 Ca -0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.42 3dxf n TYR 207 Cb 0.97 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 40.28 3dxf n TYR 207 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 3dxf n VAL 208 N -1.15 1.39 0.00 -0.72 3.14 -0.29 -2.39 118.33 118.30 3dxf n VAL 208 Ca 0.01 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 3dxf n VAL 208 Cb 0.08 -1.90 0.00 0.00 -1.06 0.00 0.00 33.84 30.97 3dxf n VAL 208 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3dxf n GLY 209 N 1.53 1.30 3.89 7.55 0.00 -0.71 -4.98 105.19 113.78 3dxf n GLY 209 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3dxf n GLY 209 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dxf s GLN 210 N -0.60 3.67 -0.40 1.61 -0.21 -1.01 -4.95 119.66 117.78 3dxf s GLN 210 Ca 0.00 0.02 -0.03 0.00 0.02 0.00 0.00 55.36 55.37 3dxf s GLN 210 Cb 0.00 -2.77 0.10 0.00 1.00 0.00 0.00 33.01 31.35 3dxf s GLN 210 CO 0.00 0.39 0.19 -0.80 -2.12 0.00 0.00 175.29 172.95 3dxf s ASN 211 N -2.51 5.22 -0.38 5.90 0.01 -1.26 -1.32 114.94 120.61 3dxf s ASN 211 Ca 0.43 -1.97 -0.14 0.00 -0.71 0.00 0.00 52.86 50.48 3dxf s ASN 211 Cb -0.12 -1.82 0.01 0.00 0.41 0.00 0.00 41.25 39.74 3dxf s ASN 211 CO 0.24 -0.52 0.26 -0.63 -1.51 0.00 0.00 177.10 174.95 3dxf s ILE 212 N 1.15 5.13 -0.13 0.60 1.01 0.36 -4.95 121.20 124.37 3dxf s ILE 212 Ca 0.07 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 3dxf s ILE 212 Cb -0.22 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 3dxf s ILE 212 CO -0.04 -0.20 1.02 -0.83 0.00 0.00 0.00 174.94 174.90 3dxf s GLY 213 N 1.67 2.22 0.05 6.18 0.00 -1.22 -0.25 107.32 115.97 3dxf s GLY 213 Ca 0.05 0.34 -0.10 0.00 0.00 0.00 0.00 44.72 45.02 3dxf s GLY 213 CO 0.09 1.98 0.37 1.08 0.00 0.00 0.00 173.10 176.63 3dxf s LEU 214 N 2.26 4.37 -0.13 0.66 1.43 0.13 -0.15 118.68 127.24 3dxf s LEU 214 Ca 0.48 0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 54.03 3dxf s LEU 214 Cb -0.18 -2.86 0.13 0.00 0.03 0.00 0.00 46.19 43.31 3dxf s LEU 214 CO 0.16 0.21 1.01 -0.55 0.23 0.00 0.00 176.35 177.41 3dxf s SER 215 N -1.66 -0.32 0.00 2.29 0.15 -1.26 -4.02 113.70 108.88 3dxf s SER 215 Ca 0.31 0.23 0.02 0.00 0.70 0.00 0.00 55.95 57.21 3dxf s SER 215 Cb -0.14 0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 3dxf s SER 215 CO 0.17 -0.38 0.10 1.07 1.20 0.00 0.00 173.24 175.39 3dxf n THR 216 N 0.37 0.00 0.00 6.45 5.66 -0.29 -4.02 114.28 122.45 3dxf n THR 216 Ca -0.08 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 3dxf n THR 216 Cb 0.59 1.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.37 3dxf n THR 216 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3dxf s ARG 218 N -2.00 0.21 0.04 0.00 1.70 -1.26 -2.13 118.95 115.50 3dxf s ARG 218 Ca 0.00 0.19 0.04 0.00 -0.47 0.00 0.00 55.73 55.49 3dxf s ARG 218 Cb 0.00 -0.56 -0.02 0.00 -0.57 0.00 0.00 34.95 33.80 3dxf s ARG 218 CO 0.00 -0.23 -0.11 -1.01 -1.08 0.00 0.00 175.30 172.86 3dxf s HIS 219 N 1.57 1.00 0.84 5.89 3.76 -0.48 -4.66 115.29 123.21 3dxf s HIS 219 Ca -0.02 -0.36 -0.11 0.00 -0.15 0.00 0.00 55.06 54.42 3dxf s HIS 219 Cb -0.13 -0.59 0.10 0.00 1.11 0.00 0.00 32.58 33.07 3dxf s HIS 219 CO -0.03 0.00 1.09 0.95 -0.85 0.00 0.00 174.74 175.91 3dxf s THR 220 N -0.89 2.90 0.42 1.30 -4.23 -1.26 0.06 115.64 113.94 3dxf s THR 220 Ca -0.01 0.29 0.14 0.00 -1.18 0.00 0.00 61.69 60.93 3dxf s THR 220 Cb -0.08 -2.87 0.33 0.00 1.34 0.00 0.00 72.50 71.23 3dxf s THR 220 CO 0.01 -0.38 1.96 0.00 -0.54 0.00 0.00 174.62 175.66 3dxf h ALA 221 N -1.33 2.02 -0.35 3.99 0.00 -1.82 -0.30 119.26 121.46 3dxf h ALA 221 Ca -0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3dxf h ALA 221 Cb 1.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3dxf h ALA 221 CO 0.56 -0.17 0.14 1.49 0.00 0.00 0.00 179.25 181.27 3dxf h GLU 222 N 0.44 0.53 -0.58 0.00 4.81 -1.92 -0.46 114.58 117.39 3dxf h GLU 222 Ca 0.31 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3dxf h GLU 222 Cb 0.61 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 3dxf h GLU 222 CO -0.09 0.51 0.17 0.93 -0.73 0.00 0.00 179.01 179.80 3dxf h GLU 223 N 0.43 0.91 -0.27 1.92 5.08 -1.62 -1.06 114.58 119.96 3dxf h GLU 223 Ca 0.12 -0.21 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3dxf h GLU 223 Cb 0.18 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 3dxf h GLU 223 CO -0.01 0.83 -0.09 1.88 -1.00 0.00 0.00 179.01 180.62 3dxf h TYR 224 N 0.83 -0.19 -0.63 4.33 -1.99 -0.94 -0.20 116.97 118.17 3dxf h TYR 224 Ca 0.19 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.95 3dxf h TYR 224 Cb 0.31 0.13 -0.03 0.00 2.00 0.00 0.00 36.73 39.14 3dxf h TYR 224 CO 0.02 -0.14 0.42 0.00 -0.00 0.00 0.00 178.16 178.46 3dxf h ALA 225 N 1.23 0.80 -0.41 3.88 0.00 -0.96 -0.38 119.26 123.43 3dxf h ALA 225 Ca 0.14 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3dxf h ALA 225 Cb 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3dxf h ALA 225 CO -0.30 0.24 0.23 0.00 0.00 0.00 0.00 179.25 179.42 3dxf h ALA 226 N 1.23 0.51 0.00 0.00 0.00 -0.85 -1.09 119.26 119.06 3dxf h ALA 226 Ca 0.23 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3dxf h ALA 226 Cb -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3dxf h ALA 226 CO -0.05 -0.11 -0.66 -0.07 0.00 0.00 0.00 179.25 178.35 3dxf h LEU 227 N 0.46 0.00 -0.48 0.00 3.38 -0.81 -2.76 115.31 115.11 3dxf h LEU 227 Ca 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3dxf h LEU 227 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3dxf h LEU 227 CO -0.09 0.66 0.07 -0.07 0.09 0.00 0.00 178.44 179.11 3dxf h LEU 228 N 0.00 0.76 -0.56 1.67 3.38 -0.82 -2.72 115.31 117.02 3dxf h LEU 228 Ca -0.01 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.74 3dxf h LEU 228 Cb 1.21 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 3dxf h LEU 228 CO 0.09 0.83 0.31 0.74 0.09 0.00 0.00 178.44 180.50 3dxf h THR 229 N 0.66 1.00 -0.13 0.22 2.02 -1.12 -0.72 112.91 114.84 3dxf h THR 229 Ca 0.14 -0.21 -0.11 0.00 0.77 0.00 0.00 66.41 67.01 3dxf h THR 229 Cb 0.40 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3dxf h THR 229 CO 0.01 0.11 -0.40 0.11 0.37 0.00 0.00 175.52 175.72 3dxf h LYS 230 N 0.61 0.28 0.01 6.66 1.79 -1.38 -2.10 116.57 122.44 3dxf h LYS 230 Ca 0.24 -0.13 -0.37 0.00 -2.18 0.00 0.00 60.65 58.20 3dxf h LYS 230 Cb 0.10 -0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.68 3dxf h LYS 230 CO -0.14 0.64 -2.36 0.72 -1.08 0.00 0.00 179.45 177.23 3dxf n HIS 231 N -4.04 0.14 0.59 -1.35 8.25 -1.04 -4.36 115.22 113.42 3dxf n HIS 231 Ca -0.01 0.04 0.12 0.00 -0.26 0.00 0.00 57.72 57.61 3dxf n HIS 231 Cb 0.47 -1.02 0.27 0.00 1.12 0.00 0.00 29.99 30.83 3dxf n HIS 231 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3dxf n THR 232 N -3.02 0.46 -2.09 1.59 -2.24 -0.28 -4.85 114.28 103.85 3dxf n THR 232 Ca -0.37 -0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 60.97 3dxf n THR 232 Cb 1.08 -0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 68.96 3dxf n THR 232 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3dxf n ARG 233 N -2.18 -1.25 -4.55 -0.78 0.63 -0.79 -5.00 116.66 102.74 3dxf n ARG 233 Ca 0.04 0.86 -0.23 0.00 -0.92 0.00 0.00 57.85 57.61 3dxf n ARG 233 Cb 0.44 -5.20 -0.16 0.00 0.45 0.00 0.00 32.46 27.99 3dxf n ARG 233 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3dxf s LYS 234 N -4.43 1.30 -0.07 -0.14 1.02 -1.23 -5.07 119.74 111.12 3dxf s LYS 234 Ca 0.00 -0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.28 3dxf s LYS 234 Cb 0.00 -1.16 -0.06 0.00 -0.52 0.00 0.00 37.83 36.08 3dxf s LYS 234 CO 0.00 0.15 1.88 0.08 -0.92 0.00 0.00 175.35 176.53 3dxf s VAL 235 N 0.20 3.26 -0.24 3.17 1.01 -1.26 -3.94 120.40 122.60 3dxf s VAL 235 Ca -0.05 0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 3dxf s VAL 235 Cb -0.10 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.07 3dxf s VAL 235 CO 0.01 -0.06 -0.09 -0.69 0.00 0.00 0.00 175.10 174.27 3dxf s VAL 236 N 5.09 2.65 0.08 2.92 1.01 -1.26 0.86 120.40 131.75 3dxf s VAL 236 Ca 0.84 -1.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 3dxf s VAL 236 Cb -0.36 -2.34 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 3dxf s VAL 236 CO 0.36 0.22 0.42 -1.00 0.00 0.00 0.00 175.10 175.09 3dxf s HIS 237 N 1.29 3.60 -0.03 5.22 3.76 0.19 -4.39 115.29 124.92 3dxf s HIS 237 Ca -0.00 0.83 -0.30 0.00 -0.15 0.00 0.00 55.06 55.44 3dxf s HIS 237 Cb -0.17 -2.19 -0.05 0.00 1.11 0.00 0.00 32.58 31.29 3dxf s HIS 237 CO -0.06 0.52 1.41 0.34 -0.85 0.00 0.00 174.74 176.10 3dxf s ASP 238 N -1.70 6.84 0.00 1.40 2.15 -1.26 -0.47 116.67 123.63 3dxf s ASP 238 Ca 0.33 2.06 0.28 0.00 0.43 0.00 0.00 52.55 55.65 3dxf s ASP 238 Cb -0.14 -2.55 1.09 0.00 -0.30 0.00 0.00 42.92 41.01 3dxf s ASP 238 CO 0.18 -0.75 1.79 0.00 -0.17 0.00 0.00 175.17 176.21 3dxf n ALA 239 N 5.81 2.82 -3.41 3.66 0.00 -0.18 -4.84 120.51 124.38 3dxf n ALA 239 Ca 0.14 -0.25 -0.18 0.00 0.00 0.00 0.00 53.44 53.14 3dxf n ALA 239 Cb 0.44 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.65 3dxf n ALA 239 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dxf n LYS 240 N -1.14 -6.65 -2.16 0.00 5.02 -1.26 -4.98 118.16 106.98 3dxf n LYS 240 Ca 0.11 0.80 -0.38 0.00 -2.02 0.00 0.00 58.31 56.82 3dxf n LYS 240 Cb 0.30 -5.69 -0.01 0.00 -0.02 0.00 0.00 35.03 29.62 3dxf n LYS 240 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3dxf s MET 241 N -5.57 3.82 0.25 1.97 1.75 -1.26 -5.06 119.30 115.20 3dxf s MET 241 Ca 0.17 1.93 0.09 0.00 -1.25 0.00 0.00 55.69 56.63 3dxf s MET 241 Cb -0.07 -2.54 -0.04 0.00 2.84 0.00 0.00 34.83 35.01 3dxf s MET 241 CO 0.69 -0.55 0.01 0.95 -0.65 0.00 0.00 175.02 175.47 3dxf s THR 242 N -1.41 3.56 0.44 10.11 -4.23 -1.26 -4.07 115.64 118.78 3dxf s THR 242 Ca 0.61 -1.79 0.14 0.00 -1.18 0.00 0.00 61.69 59.47 3dxf s THR 242 Cb -0.33 -2.88 0.32 0.00 1.34 0.00 0.00 72.50 70.95 3dxf s THR 242 CO 0.41 -0.32 2.00 -0.65 -0.54 0.00 0.00 174.62 175.51 3dxf h PRO 243 N 2.02 0.37 -0.32 3.99 0.11 -1.87 -1.82 132.00 134.47 3dxf h PRO 243 Ca -0.45 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.70 3dxf h PRO 243 Cb 1.24 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3dxf h PRO 243 CO 0.60 0.24 0.22 1.49 -0.21 0.00 0.00 178.00 180.34 3dxf h GLU 244 N 0.38 0.18 -0.58 1.05 4.81 -1.95 -2.56 114.58 115.90 3dxf h GLU 244 Ca 0.25 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3dxf h GLU 244 Cb 0.48 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 3dxf h GLU 244 CO -0.06 0.12 0.05 -0.44 -0.73 0.00 0.00 179.01 177.95 3dxf h ASP 245 N 0.18 0.92 -0.31 1.04 3.32 -1.73 0.48 116.42 120.32 3dxf h ASP 245 Ca 0.14 -0.22 0.06 0.00 0.02 0.00 0.00 57.03 57.03 3dxf h ASP 245 Cb 0.35 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 3dxf h ASP 245 CO -0.02 0.95 -0.07 1.88 -1.72 0.00 0.00 179.24 180.26 3dxf h TYR 246 N 0.90 -0.15 0.00 4.55 0.05 -1.52 -1.57 116.97 119.22 3dxf h TYR 246 Ca 0.18 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.89 3dxf h TYR 246 Cb 0.45 0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 3dxf h TYR 246 CO 0.03 -0.13 -0.43 0.93 -1.05 0.00 0.00 178.16 177.51 3dxf h GLU 247 N 0.01 0.00 -0.65 4.88 5.08 -1.42 0.12 114.58 122.60 3dxf h GLU 247 Ca 0.15 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3dxf h GLU 247 Cb 0.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3dxf h GLU 247 CO -0.31 0.43 0.24 0.87 -1.00 0.00 0.00 179.01 179.23 3dxf h LYS 248 N 0.00 0.99 -0.22 2.33 1.57 -0.64 -2.98 116.57 117.63 3dxf h LYS 248 Ca -0.00 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 3dxf h LYS 248 Cb 0.81 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3dxf h LYS 248 CO 0.06 0.85 0.06 -0.07 -0.57 0.00 0.00 179.45 179.78 3dxf h LEU 249 N 0.93 0.32 0.62 2.94 3.38 -0.47 -3.47 115.31 119.56 3dxf h LEU 249 Ca 0.21 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3dxf h LEU 249 Cb 0.25 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3dxf h LEU 249 CO -0.01 0.45 -0.15 0.61 0.09 0.00 0.00 178.44 179.43 3dxf n GLY 250 N -0.58 0.55 3.71 0.83 0.00 0.35 -5.04 105.19 105.01 3dxf n GLY 250 Ca -0.04 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 3dxf n GLY 250 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dxf n PHE 251 N -3.33 -3.64 -1.56 1.61 3.72 -1.26 -4.94 117.46 108.06 3dxf n PHE 251 Ca -0.07 -1.32 -0.40 0.00 -0.05 0.00 0.00 57.45 55.60 3dxf n PHE 251 Cb 0.37 -0.89 -0.04 0.00 -0.94 0.00 0.00 39.48 37.99 3dxf n PHE 251 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3dxf n PRO 252 N -3.38 1.36 -0.35 -1.08 -0.02 -1.26 -1.51 135.00 128.76 3dxf n PRO 252 Ca 0.16 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3dxf n PRO 252 Cb 0.56 -3.21 0.00 0.00 -0.02 0.00 0.00 33.50 30.83 3dxf n PRO 252 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxf n GLY 253 N 5.99 0.81 0.32 -1.23 0.00 -1.26 -4.98 105.19 104.84 3dxf n GLY 253 Ca 0.36 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.31 3dxf n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxf h ALA 254 N 0.00 0.98 -0.00 4.61 0.00 -1.59 -0.76 119.26 122.49 3dxf h ALA 254 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3dxf h ALA 254 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3dxf h ALA 254 CO 0.00 0.65 -0.66 0.00 0.00 0.00 0.00 179.25 179.24 3dxf h ARG 255 N 1.01 0.02 -0.46 0.00 3.08 -1.87 0.88 114.38 117.04 3dxf h ARG 255 Ca 0.21 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.18 3dxf h ARG 255 Cb 0.40 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3dxf h ARG 255 CO 0.01 0.67 0.02 -0.44 -1.07 0.00 0.00 179.97 179.16 3dxf h ASP 256 N 0.01 0.78 -0.13 7.04 3.32 -1.73 -2.30 116.42 123.41 3dxf h ASP 256 Ca -0.01 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 3dxf h ASP 256 Cb 1.17 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 3dxf h ASP 256 CO 0.09 0.88 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.35 3dxf h LEU 257 N 0.65 0.29 -0.43 1.55 3.38 -0.88 -1.51 115.31 118.35 3dxf h LEU 257 Ca 0.13 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.77 3dxf h LEU 257 Cb 0.47 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 3dxf h LEU 257 CO 0.02 0.65 -0.27 0.00 0.09 0.00 0.00 178.44 178.92 3dxf h ALA 258 N 0.65 -0.04 -0.51 1.53 0.00 -0.89 -1.67 119.26 118.33 3dxf h ALA 258 Ca 0.03 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3dxf h ALA 258 Cb 0.54 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3dxf h ALA 258 CO 0.02 -0.65 0.19 -0.91 0.00 0.00 0.00 179.25 177.90 3dxf h ASN 259 N -0.19 0.68 -0.55 0.00 4.21 -1.37 -0.56 115.58 117.79 3dxf h ASN 259 Ca 0.20 -0.08 0.06 0.00 1.21 0.00 0.00 56.30 57.68 3dxf h ASN 259 Cb 0.50 -0.17 -0.05 0.00 -1.12 0.00 0.00 38.32 37.48 3dxf h ASN 259 CO -0.54 0.62 0.26 -0.03 -1.29 0.00 0.00 177.43 176.45 3dxf h MET 260 N 0.73 0.48 0.00 0.81 1.85 -0.63 0.19 114.93 118.35 3dxf h MET 260 Ca 0.17 -0.03 -0.12 0.00 -0.61 0.00 0.00 59.70 59.12 3dxf h MET 260 Cb 0.17 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.07 3dxf h MET 260 CO -0.01 0.32 -0.57 0.74 -0.40 0.00 0.00 176.91 176.98 3dxf h PHE 261 N 0.49 0.00 0.00 1.39 0.04 -0.52 -0.87 116.94 117.47 3dxf h PHE 261 Ca 0.26 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.91 3dxf h PHE 261 Cb 0.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3dxf h PHE 261 CO -0.12 0.57 -0.56 0.00 -0.60 0.00 0.00 178.31 177.60 3dxf h ARG 262 N 0.00 0.00 -0.29 1.51 3.08 -0.80 -1.80 114.38 116.08 3dxf h ARG 262 Ca -0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 3dxf h ARG 262 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3dxf h ARG 262 CO 0.07 0.56 -0.53 0.35 -1.07 0.00 0.00 179.97 179.36 3dxf h PHE 263 N 0.00 1.10 -0.31 3.04 3.57 -0.35 -3.20 116.94 120.80 3dxf h PHE 263 Ca -0.01 -0.39 -0.04 0.00 3.53 0.00 0.00 57.97 61.07 3dxf h PHE 263 Cb 1.07 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 3dxf h PHE 263 CO 0.00 1.22 0.03 1.88 -2.23 0.00 0.00 178.31 179.21 3dxf h TYR 264 N 0.67 0.47 -0.03 0.41 0.05 -0.98 -1.99 116.97 115.55 3dxf h TYR 264 Ca 0.02 -0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.77 3dxf h TYR 264 Cb 1.14 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 38.74 3dxf h TYR 264 CO 0.07 0.45 0.03 0.00 -1.05 0.00 0.00 178.16 177.66 3dxf h ALA 265 N 1.59 1.78 0.00 3.88 0.00 -1.32 0.66 119.26 125.86 3dxf h ALA 265 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dxf h ALA 265 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3dxf h ALA 265 CO 0.00 -0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.49 3dxf n LEU 266 N -4.16 0.00 -2.96 0.00 4.77 -0.75 -4.96 117.00 108.94 3dxf n LEU 266 Ca -0.02 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.91 3dxf n LEU 266 Cb 0.12 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 3dxf n LEU 266 CO 0.31 0.00 0.17 0.54 -1.33 0.00 0.00 177.39 177.08 3dxf n ARG 267 N -0.87 -1.92 -0.93 3.23 1.74 0.23 -4.97 116.66 113.17 3dxf n ARG 267 Ca 0.17 1.84 -0.29 0.00 -0.77 0.00 0.00 57.85 58.80 3dxf n ARG 267 Cb 0.08 -5.65 0.18 0.00 -1.02 0.00 0.00 32.46 26.05 3dxf n ARG 267 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3dxf s PRO 268 N -2.80 0.44 -1.04 5.56 0.04 -1.26 -4.82 135.00 131.12 3dxf s PRO 268 Ca 0.14 0.88 -0.24 0.00 0.04 0.00 0.00 61.00 61.82 3dxf s PRO 268 Cb -0.04 -1.71 -0.11 0.00 0.04 0.00 0.00 34.50 32.68 3dxf s PRO 268 CO 0.76 -2.82 2.03 0.34 0.04 0.00 0.00 177.00 177.35 3dxf s ASP 269 N -3.05 4.61 -0.16 6.66 -1.08 -1.26 -4.88 116.67 117.50 3dxf s ASP 269 Ca 0.66 -1.05 0.01 0.00 -0.52 0.00 0.00 52.55 51.65 3dxf s ASP 269 Cb -0.21 -2.58 0.02 0.00 -1.46 0.00 0.00 42.92 38.69 3dxf s ASP 269 CO 0.59 -3.41 -0.18 -0.13 0.52 0.00 0.00 175.17 172.56 3dxf s ARG 270 N 7.30 2.74 -0.53 4.34 1.81 -1.26 -3.44 118.95 129.90 3dxf s ARG 270 Ca 0.74 -0.73 -0.09 0.00 -1.72 0.00 0.00 55.73 53.93 3dxf s ARG 270 Cb -0.05 -2.38 0.14 0.00 -0.45 0.00 0.00 34.95 32.21 3dxf s ARG 270 CO 0.10 -0.20 0.41 0.34 -0.68 0.00 0.00 175.30 175.27 3dxf s ASP 271 N 1.30 5.75 0.04 0.23 -1.08 0.78 -4.86 116.67 118.83 3dxf s ASP 271 Ca 0.04 -2.15 -0.25 0.00 -0.52 0.00 0.00 52.55 49.66 3dxf s ASP 271 Cb -0.13 -2.01 -0.17 0.00 -1.46 0.00 0.00 42.92 39.15 3dxf s ASP 271 CO -0.11 -0.63 1.50 0.40 0.52 0.00 0.00 175.17 176.86 3dxf h ILE 272 N 5.85 1.00 -0.79 4.11 2.04 -1.83 -1.12 117.51 126.78 3dxf h ILE 272 Ca -0.14 -0.43 0.08 0.00 1.00 0.00 0.00 64.86 65.37 3dxf h ILE 272 Cb 1.05 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 38.33 3dxf h ILE 272 CO 0.82 0.11 0.45 -0.08 0.00 0.00 0.00 178.15 179.45 3dxf h GLU 273 N -0.36 0.75 -0.24 2.37 4.81 -1.93 0.55 114.58 120.55 3dxf h GLU 273 Ca -0.02 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 3dxf h GLU 273 Cb 0.29 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 3dxf h GLU 273 CO 0.03 0.50 -0.28 1.25 -0.73 0.00 0.00 179.01 179.77 3dxf h LEU 274 N 0.78 0.66 -0.54 1.64 6.46 -1.92 -2.12 115.31 120.25 3dxf h LEU 274 Ca 0.37 -0.49 0.08 0.00 -0.12 0.00 0.00 57.88 57.72 3dxf h LEU 274 Cb 0.31 -0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 39.98 3dxf h LEU 274 CO -0.23 1.02 0.17 0.74 -0.62 0.00 0.00 178.44 179.52 3dxf h THR 275 N 0.31 0.76 0.00 1.05 2.02 -0.52 -0.30 112.91 116.24 3dxf h THR 275 Ca 0.03 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3dxf h THR 275 Cb 0.85 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3dxf h THR 275 CO 0.07 0.06 -0.17 -0.07 0.37 0.00 0.00 175.52 175.78 3dxf h LEU 276 N 0.33 0.00 -0.62 2.58 3.38 -0.91 0.38 115.31 120.46 3dxf h LEU 276 Ca 0.27 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.09 3dxf h LEU 276 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3dxf h LEU 276 CO -0.30 0.17 -0.51 -0.09 0.09 0.00 0.00 178.44 177.80 3dxf h ARG 277 N 0.00 0.48 0.23 1.13 2.43 -0.64 -2.09 114.38 115.92 3dxf h ARG 277 Ca -0.00 -0.28 -0.34 0.00 -0.81 0.00 0.00 59.98 58.54 3dxf h ARG 277 Cb 0.78 0.02 0.03 0.00 -0.42 0.00 0.00 29.97 30.39 3dxf h ARG 277 CO 0.02 0.88 -1.58 -0.07 -1.51 0.00 0.00 179.97 177.71 3dxf h LEU 278 N 0.38 0.76 -7.04 3.80 3.38 -0.41 -3.40 115.31 112.77 3dxf h LEU 278 Ca 0.02 -0.93 -0.60 0.00 0.09 0.00 0.00 57.88 56.46 3dxf h LEU 278 Cb 1.02 -0.25 -0.40 0.00 0.09 0.00 0.00 40.66 41.13 3dxf h LEU 278 CO 0.09 1.74 -0.75 0.21 0.09 0.00 0.00 178.44 179.82 3dxf s ASN 279 N -7.47 3.77 0.63 -0.43 2.47 0.13 -3.98 114.94 110.06 3dxf s ASN 279 Ca -0.12 -2.16 0.41 0.00 0.42 0.00 0.00 52.86 51.41 3dxf s ASN 279 Cb 0.04 -0.92 2.11 0.00 -1.45 0.00 0.00 41.25 41.04 3dxf s ASN 279 CO 0.91 -0.34 2.27 -0.65 -3.72 0.00 0.00 177.10 175.57 3dxf h PRO 280 N 7.35 0.00 -0.02 0.43 0.11 -1.61 -1.89 132.00 136.37 3dxf h PRO 280 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3dxf h PRO 280 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3dxf h PRO 280 CO 0.46 0.01 -0.11 1.63 -0.21 0.00 0.00 178.00 179.78 3dxf n LYS 281 N -3.16 1.72 -1.71 1.05 5.02 -1.26 -4.96 118.16 114.86 3dxf n LYS 281 Ca -0.02 -1.25 -0.43 0.00 -2.02 0.00 0.00 58.31 54.59 3dxf n LYS 281 Cb 0.13 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 3dxf n LYS 281 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dxf n ALA 282 N 0.45 2.16 -2.17 7.82 0.00 -0.71 -4.95 120.51 123.11 3dxf n ALA 282 Ca 0.15 0.40 -0.36 0.00 0.00 0.00 0.00 53.44 53.63 3dxf n ALA 282 Cb 0.46 -2.43 -0.06 0.00 0.00 0.00 0.00 19.45 17.42 3dxf n ALA 282 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dxf s LEU 283 N 0.38 4.38 1.09 0.00 1.43 -1.26 -5.03 118.68 119.66 3dxf s LEU 283 Ca 0.71 1.34 -0.15 0.00 -1.03 0.00 0.00 54.13 55.00 3dxf s LEU 283 Cb -0.56 -3.42 0.23 0.00 0.03 0.00 0.00 46.19 42.47 3dxf s LEU 283 CO 0.42 0.09 1.11 0.42 0.23 0.00 0.00 176.35 178.61 3dxf s THR 284 N -1.44 1.83 0.19 5.49 -4.23 -1.26 -4.46 115.64 111.77 3dxf s THR 284 Ca 0.40 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.79 3dxf s THR 284 Cb -0.17 -2.52 0.11 0.00 1.34 0.00 0.00 72.50 71.26 3dxf s THR 284 CO 0.21 0.00 1.84 0.25 -0.54 0.00 0.00 174.62 176.37 3dxf h LEU 285 N -2.18 0.64 -0.36 4.79 5.85 -1.92 -0.47 115.31 121.66 3dxf h LEU 285 Ca -0.50 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.22 3dxf h LEU 285 Cb 1.31 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3dxf h LEU 285 CO 0.48 0.45 0.23 -0.78 -0.34 0.00 0.00 178.44 178.48 3dxf h ASP 286 N 0.76 0.40 -0.15 1.25 3.58 -1.96 0.65 116.42 120.94 3dxf h ASP 286 Ca 0.24 -0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.54 3dxf h ASP 286 Cb -0.00 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 3dxf h ASP 286 CO -0.09 0.29 -0.43 1.56 -2.88 0.00 0.00 179.24 177.68 3dxf h GLN 287 N 0.48 0.70 -0.46 0.28 4.20 -1.90 -2.61 115.11 115.79 3dxf h GLN 287 Ca 0.14 -0.38 -0.09 0.00 0.06 0.00 0.00 58.65 58.37 3dxf h GLN 287 Cb -0.04 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3dxf h GLN 287 CO -0.04 1.00 -0.07 2.35 -0.67 0.00 0.00 178.83 181.39 3dxf h TRP 288 N 0.57 0.96 -0.27 2.96 7.01 -0.82 -2.38 115.95 123.97 3dxf h TRP 288 Ca 0.04 -0.19 -0.07 0.00 2.11 0.00 0.00 58.89 60.78 3dxf h TRP 288 Cb 0.98 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.78 3dxf h TRP 288 CO 0.05 0.94 -0.13 -0.07 -2.79 0.00 0.00 178.44 176.43 3dxf h LEU 289 N 0.70 0.44 -0.05 0.65 3.38 -0.85 0.38 115.31 119.96 3dxf h LEU 289 Ca 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3dxf h LEU 289 Cb 0.61 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3dxf h LEU 289 CO 0.04 0.61 0.01 -0.08 0.09 0.00 0.00 178.44 179.11 3dxf h GLU 290 N 0.43 0.08 0.00 1.13 4.81 -1.39 -0.19 114.58 119.45 3dxf h GLU 290 Ca 0.08 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 3dxf h GLU 290 Cb 0.49 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 3dxf h GLU 290 CO 0.03 0.31 -0.43 1.96 -0.73 0.00 0.00 179.01 180.15 3dxf h GLN 291 N -0.16 0.00 0.00 1.92 1.08 -1.26 -3.32 115.11 113.37 3dxf h GLN 291 Ca 0.02 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3dxf h GLN 291 Cb 0.27 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3dxf h GLN 291 CO 0.00 0.43 -0.04 0.72 -0.95 0.00 0.00 178.83 178.99 3dxf n HIS 292 N -3.72 0.00 -2.39 2.96 8.25 0.11 -4.96 115.22 115.48 3dxf n HIS 292 Ca -0.01 -0.96 -0.42 0.00 -0.26 0.00 0.00 57.72 56.08 3dxf n HIS 292 Cb 0.51 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 3dxf n HIS 292 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 3dxf s LYS 293 N -2.74 4.45 0.00 -0.41 -2.85 -0.09 -2.85 119.74 115.26 3dxf s LYS 293 Ca 0.31 1.83 0.00 0.00 -1.00 0.00 0.00 55.97 57.11 3dxf s LYS 293 Cb 0.27 -3.30 0.00 0.00 -2.06 0.00 0.00 37.83 32.74 3dxf s LYS 293 CO 0.03 -0.20 0.00 0.41 0.10 0.00 0.00 175.35 175.69 3dxf n GLY 294 N 2.84 1.71 0.26 0.59 0.00 -1.26 -4.85 105.19 104.48 3dxf n GLY 294 Ca 0.07 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.61 3dxf n GLY 294 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dxf h ASP 295 N 2.00 0.00 -0.01 1.61 5.19 -1.91 -3.55 116.42 119.75 3dxf h ASP 295 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3dxf h ASP 295 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3dxf h ASP 295 CO 0.00 0.02 0.00 0.49 -3.12 0.00 0.00 179.24 176.63