#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxf n LYS 5 N 0.00 2.22 -3.58 1.97 5.02 -1.26 -4.58 118.16 117.95 3dxf n LYS 5 Ca 0.00 0.80 -0.36 0.00 -2.02 0.00 0.00 58.31 56.73 3dxf n LYS 5 Cb 0.00 -2.60 -0.07 0.00 -0.02 0.00 0.00 35.03 32.34 3dxf n LYS 5 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3dxf s LEU 6 N 1.50 4.25 -0.15 -0.35 2.96 -1.26 -0.52 118.68 125.10 3dxf s LEU 6 Ca 0.81 0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 55.16 3dxf s LEU 6 Cb -0.66 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 43.68 3dxf s LEU 6 CO 0.40 0.13 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.83 3dxf s VAL 7 N 0.33 3.83 -0.18 1.68 1.01 0.94 -1.02 120.40 126.98 3dxf s VAL 7 Ca 0.15 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 3dxf s VAL 7 Cb -0.13 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3dxf s VAL 7 CO 0.03 0.50 0.19 -0.69 0.00 0.00 0.00 175.10 175.12 3dxf s VAL 8 N 0.35 5.38 -0.23 2.92 1.01 -0.55 -1.38 120.40 127.90 3dxf s VAL 8 Ca -0.05 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.26 3dxf s VAL 8 Cb -0.14 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.76 3dxf s VAL 8 CO 0.03 0.43 -0.12 -0.69 0.00 0.00 0.00 175.10 174.75 3dxf s VAL 9 N 0.36 1.94 0.57 2.92 1.01 0.14 -0.30 120.40 127.05 3dxf s VAL 9 Ca 0.11 -1.29 -0.08 0.00 0.00 0.00 0.00 61.98 60.72 3dxf s VAL 9 Cb -0.12 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3dxf s VAL 9 CO 0.00 0.13 0.92 -0.36 0.00 0.00 0.00 175.10 175.79 3dxf s PHE 10 N 1.25 3.49 -1.22 5.22 0.40 -0.04 -0.58 117.98 126.49 3dxf s PHE 10 Ca -0.04 0.94 -0.07 0.00 -0.60 0.00 0.00 56.93 57.16 3dxf s PHE 10 Cb -0.17 -2.61 0.01 0.00 0.51 0.00 0.00 43.02 40.76 3dxf s PHE 10 CO -0.08 -0.62 1.07 0.41 0.70 0.00 0.00 175.22 176.70 3dxf n GLY 11 N -2.56 -0.40 0.42 4.36 0.00 -1.16 -4.18 105.19 101.66 3dxf n GLY 11 Ca 0.04 0.16 0.23 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.41 1.10 -1.58 -0.02 0.00 -1.64 0.17 103.07 98.69 3dxf h GLY 12 Ca -0.52 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.62 3dxf h GLY 12 CO 0.50 -0.12 0.00 2.41 0.00 0.00 0.00 176.54 179.34 3dxf n THR 13 N -4.59 0.13 -2.55 4.70 -1.04 -1.26 -3.78 114.28 105.89 3dxf n THR 13 Ca 0.25 -0.48 -0.26 0.00 -2.04 0.00 0.00 64.05 61.52 3dxf n THR 13 Cb 0.89 1.06 0.03 0.00 -1.82 0.00 0.00 70.33 70.48 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 -1.85 1.60 0.20 3.41 0.00 0.58 -4.94 107.32 106.33 3dxf s GLY 14 Ca 0.33 -0.80 -0.10 0.00 0.00 0.00 0.00 44.72 44.15 3dxf s GLY 14 CO 0.31 -0.55 1.81 0.00 0.00 0.00 0.00 173.10 174.67 3dxf h ALA 15 N -0.02 0.85 0.24 3.20 0.00 -1.92 -1.52 119.26 120.10 3dxf h ALA 15 Ca -0.46 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3dxf h ALA 15 Cb 1.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3dxf h ALA 15 CO 0.60 0.03 -0.12 1.96 0.00 0.00 0.00 179.25 181.72 3dxf h GLN 16 N 0.66 -0.32 0.00 0.00 4.20 -1.86 -2.66 115.11 115.13 3dxf h GLN 16 Ca 0.29 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 3dxf h GLN 16 Cb 0.17 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 3dxf h GLN 16 CO -0.18 -0.06 -0.04 0.78 -0.67 0.00 0.00 178.83 178.66 3dxf h GLY 17 N -1.02 0.00 0.74 3.46 0.00 -1.66 -0.99 103.07 103.60 3dxf h GLY 17 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 3dxf h GLY 17 CO 0.06 0.00 -0.23 -1.33 0.00 0.00 0.00 176.54 175.03 3dxf h GLY 18 N 0.99 0.41 0.99 4.60 0.00 -1.33 -0.74 103.07 107.99 3dxf h GLY 18 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3dxf h GLY 18 CO 0.01 0.43 0.30 0.23 0.00 0.00 0.00 176.54 177.51 3dxf h SER 19 N -0.04 0.69 0.07 0.19 0.87 -1.09 -1.69 113.55 112.54 3dxf h SER 19 Ca 0.01 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3dxf h SER 19 Cb 0.82 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 3dxf h SER 19 CO 0.05 0.58 -0.03 0.58 -0.53 0.00 0.00 176.83 177.48 3dxf h VAL 20 N 0.73 0.96 -0.18 2.23 2.07 -1.17 -1.60 116.25 119.30 3dxf h VAL 20 Ca 0.19 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.62 3dxf h VAL 20 Cb 0.05 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3dxf h VAL 20 CO -0.03 0.03 0.07 0.00 0.02 0.00 0.00 177.57 177.66 3dxf h ALA 21 N 0.79 0.20 -0.54 1.67 0.00 -1.09 -1.74 119.26 118.55 3dxf h ALA 21 Ca -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3dxf h ALA 21 Cb 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3dxf h ALA 21 CO 0.02 -0.35 0.20 0.00 0.00 0.00 0.00 179.25 179.11 3dxf h ARG 22 N 0.17 0.79 -0.11 0.00 3.08 -1.25 -1.27 114.38 115.79 3dxf h ARG 22 Ca 0.07 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 3dxf h ARG 22 Cb 0.03 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 3dxf h ARG 22 CO -0.06 0.66 -0.19 1.15 -1.07 0.00 0.00 179.97 180.46 3dxf h THR 23 N 0.78 1.38 -0.64 2.04 2.02 -1.11 -1.83 112.91 115.54 3dxf h THR 23 Ca 0.18 -1.44 -0.03 0.00 0.77 0.00 0.00 66.41 65.89 3dxf h THR 23 Cb 0.18 2.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 3dxf h THR 23 CO -0.01 0.42 0.26 -0.07 0.37 0.00 0.00 175.52 176.48 3dxf h LEU 24 N -0.10 0.86 -0.37 2.58 4.07 -1.19 -1.12 115.31 120.03 3dxf h LEU 24 Ca 0.01 -0.11 -0.17 0.00 0.08 0.00 0.00 57.88 57.69 3dxf h LEU 24 Cb 0.76 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 3dxf h LEU 24 CO 0.04 0.77 -0.42 -0.07 -1.08 0.00 0.00 178.44 177.68 3dxf h LEU 25 N 0.92 1.01 0.71 1.67 3.38 -1.27 -0.16 115.31 121.57 3dxf h LEU 25 Ca 0.22 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3dxf h LEU 25 Cb 0.17 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3dxf h LEU 25 CO -0.02 1.28 -0.44 -0.08 0.09 0.00 0.00 178.44 179.27 3dxf h GLU 26 N 0.75 -1.04 -0.16 1.13 4.81 -1.04 -3.16 114.58 115.86 3dxf h GLU 26 Ca 0.05 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 3dxf h GLU 26 Cb 1.02 0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 3dxf h GLU 26 CO 0.10 -0.70 -0.10 0.22 -0.73 0.00 0.00 179.01 177.81 3dxf h ASP 27 N -1.08 -0.32 0.00 1.04 3.58 -1.27 -3.47 116.42 114.90 3dxf h ASP 27 Ca -0.09 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3dxf h ASP 27 Cb 0.87 0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.09 3dxf h ASP 27 CO 0.09 -0.13 0.00 0.61 -2.88 0.00 0.00 179.24 176.93 3dxf n GLY 28 N -1.25 0.51 0.18 -0.78 0.00 -0.07 -4.90 105.19 98.87 3dxf n GLY 28 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 0.45 -3.77 2.61 1.35 -1.91 -3.45 112.91 108.18 3dxf h THR 29 Ca 0.00 -1.58 -0.68 0.00 -0.55 0.00 0.00 66.41 63.60 3dxf h THR 29 Cb 0.03 2.18 -0.20 0.00 -1.73 0.00 0.00 68.15 68.43 3dxf h THR 29 CO 0.00 0.25 -0.73 -0.36 -0.25 0.00 0.00 175.52 174.43 3dxf s PHE 30 N -3.13 2.82 0.40 4.73 0.40 -1.26 -4.56 117.98 117.38 3dxf s PHE 30 Ca 0.05 -0.07 -0.25 0.00 -0.60 0.00 0.00 56.93 56.05 3dxf s PHE 30 Cb 0.07 -1.63 -0.08 0.00 0.51 0.00 0.00 43.02 41.88 3dxf s PHE 30 CO 0.70 0.30 1.20 0.21 0.70 0.00 0.00 175.22 178.33 3dxf s LYS 31 N -1.06 4.04 -0.12 0.44 2.20 0.32 -4.76 119.74 120.81 3dxf s LYS 31 Ca 0.14 1.91 0.01 0.00 -0.36 0.00 0.00 55.97 57.66 3dxf s LYS 31 Cb -0.11 -2.70 0.02 0.00 -1.51 0.00 0.00 37.83 33.53 3dxf s LYS 31 CO 0.04 -0.35 -0.12 0.08 -0.36 0.00 0.00 175.35 174.64 3dxf s VAL 32 N -1.37 1.29 -0.08 4.02 1.01 -1.26 -0.04 120.40 123.97 3dxf s VAL 32 Ca 0.57 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3dxf s VAL 32 Cb -0.32 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3dxf s VAL 32 CO 0.41 0.41 -0.13 -0.60 0.00 0.00 0.00 175.10 175.19 3dxf s ARG 33 N 1.35 2.88 -0.15 2.72 3.52 -0.48 -1.52 118.95 127.27 3dxf s ARG 33 Ca -0.00 -0.67 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 3dxf s ARG 33 Cb -0.14 -2.51 0.00 0.00 -1.56 0.00 0.00 34.95 30.75 3dxf s ARG 33 CO -0.06 0.47 -0.17 0.08 -0.81 0.00 0.00 175.30 174.81 3dxf s VAL 34 N -0.33 2.49 -0.20 7.11 1.01 0.90 0.29 120.40 131.67 3dxf s VAL 34 Ca 0.03 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 3dxf s VAL 34 Cb -0.13 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 3dxf s VAL 34 CO 0.02 0.52 0.12 -0.69 0.00 0.00 0.00 175.10 175.08 3dxf s VAL 35 N 0.82 5.27 -0.04 2.92 1.01 0.25 0.48 120.40 131.11 3dxf s VAL 35 Ca -0.06 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 3dxf s VAL 35 Cb -0.15 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.84 3dxf s VAL 35 CO -0.01 0.43 0.10 -0.89 0.00 0.00 0.00 175.10 174.74 3dxf s THR 36 N 0.46 -0.02 0.12 3.92 2.01 0.14 -2.33 115.64 119.95 3dxf s THR 36 Ca 0.07 0.06 0.14 0.00 0.31 0.00 0.00 61.69 62.27 3dxf s THR 36 Cb -0.12 -0.16 0.02 0.00 0.01 0.00 0.00 72.50 72.25 3dxf s THR 36 CO -0.01 0.03 1.57 0.00 -0.69 0.00 0.00 174.62 175.51 3dxf h ALA 37 N 6.42 0.81 -2.52 7.40 0.00 -1.86 0.13 119.26 129.64 3dxf h ALA 37 Ca -0.31 -0.52 -0.61 0.00 0.00 0.00 0.00 54.91 53.47 3dxf h ALA 37 Cb 1.18 -0.09 -0.42 0.00 0.00 0.00 0.00 17.79 18.46 3dxf h ALA 37 CO 0.45 0.72 -0.61 0.09 0.00 0.00 0.00 179.25 179.89 3dxf n ASN 38 N -3.51 3.27 -4.45 0.00 4.13 -1.26 -4.78 115.26 108.66 3dxf n ASN 38 Ca 0.00 -3.31 -0.43 0.00 1.68 0.00 0.00 54.58 52.52 3dxf n ASN 38 Cb 0.66 -0.70 -0.04 0.00 -1.54 0.00 0.00 39.78 38.16 3dxf n ASN 38 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3dxf s PRO 39 N -2.01 3.12 -0.09 3.52 0.04 -1.26 -4.70 135.00 133.62 3dxf s PRO 39 Ca 0.34 -0.84 -0.07 0.00 0.04 0.00 0.00 61.00 60.47 3dxf s PRO 39 Cb 0.08 -4.21 -0.02 0.00 0.04 0.00 0.00 34.50 30.39 3dxf s PRO 39 CO -0.08 -1.71 -0.13 1.63 0.04 0.00 0.00 177.00 176.74 3dxf n LYS 42 N 7.41 0.29 0.20 4.56 5.02 -1.26 -4.51 118.16 129.88 3dxf n LYS 42 Ca -0.04 0.35 0.09 0.00 -2.02 0.00 0.00 58.31 56.69 3dxf n LYS 42 Cb 0.45 -1.26 0.28 0.00 -0.02 0.00 0.00 35.03 34.47 3dxf n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dxf h ALA 43 N -1.39 0.91 0.00 7.82 0.00 -1.92 -3.16 119.26 121.51 3dxf h ALA 43 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3dxf h ALA 43 Cb 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3dxf h ALA 43 CO 0.00 0.29 -0.33 0.00 0.00 0.00 0.00 179.25 179.21 3dxf h ALA 44 N 1.77 0.90 -0.05 0.00 0.00 -1.84 -2.48 119.26 117.56 3dxf h ALA 44 Ca -0.00 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.36 3dxf h ALA 44 Cb 0.98 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.74 3dxf h ALA 44 CO 0.03 0.41 -0.92 0.87 0.00 0.00 0.00 179.25 179.64 3dxf h LYS 45 N 0.00 0.71 -0.64 0.00 1.57 -1.78 -2.82 116.57 113.61 3dxf h LYS 45 Ca -0.00 -0.70 -0.02 0.00 -1.87 0.00 0.00 60.65 58.06 3dxf h LYS 45 Cb 1.00 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 3dxf h LYS 45 CO 0.04 1.29 0.32 0.93 -0.57 0.00 0.00 179.45 181.46 3dxf h GLU 46 N 0.39 0.91 -0.66 3.15 5.08 -1.57 -1.43 114.58 120.46 3dxf h GLU 46 Ca -0.10 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 3dxf h GLU 46 Cb 1.57 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.63 3dxf h GLU 46 CO 0.18 0.72 0.31 -0.07 -1.00 0.00 0.00 179.01 179.15 3dxf h LEU 47 N 0.87 0.87 -0.31 1.33 3.38 -1.48 0.18 115.31 120.16 3dxf h LEU 47 Ca 0.22 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3dxf h LEU 47 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3dxf h LEU 47 CO -0.03 0.76 0.12 -0.09 0.09 0.00 0.00 178.44 179.29 3dxf h ARG 48 N 0.91 0.46 -0.99 1.13 2.43 -1.38 -0.75 114.38 116.20 3dxf h ARG 48 Ca 0.22 -0.08 0.13 0.00 -0.81 0.00 0.00 59.98 59.44 3dxf h ARG 48 Cb 0.13 -0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 29.52 3dxf h ARG 48 CO -0.03 0.47 0.61 -0.07 -1.51 0.00 0.00 179.97 179.45 3dxf h LEU 49 N 0.34 0.87 0.00 3.80 3.38 -0.93 -0.28 115.31 122.50 3dxf h LEU 49 Ca 0.10 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3dxf h LEU 49 Cb 0.19 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dxf h LEU 49 CO -0.01 0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.96 3dxf n GLN 50 N -4.66 0.89 0.00 1.13 6.02 0.61 -4.87 117.38 116.49 3dxf n GLN 50 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 3dxf n GLN 50 Cb 0.39 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.24 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 0.72 1.12 3.75 1.08 0.00 -0.12 -4.90 105.19 106.84 3dxf n GLY 51 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 3.40 -0.04 4.61 0.00 -0.34 -4.84 121.76 122.55 3dxf s ALA 52 Ca 0.00 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 3dxf s ALA 52 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3dxf s ALA 52 CO 0.00 -0.18 1.11 -2.00 0.00 0.00 0.00 175.76 174.69 3dxf s GLU 53 N -1.08 4.42 -0.22 0.00 2.12 -0.58 -3.90 118.70 119.46 3dxf s GLU 53 Ca 0.46 1.56 -0.07 0.00 0.36 0.00 0.00 54.97 57.29 3dxf s GLU 53 Cb -0.31 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 3dxf s GLU 53 CO 0.39 -0.32 0.05 0.08 -0.54 0.00 0.00 175.26 174.92 3dxf s VAL 54 N 1.80 4.37 -0.03 3.70 1.01 -1.26 -0.07 120.40 129.92 3dxf s VAL 54 Ca 0.53 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.40 3dxf s VAL 54 Cb -0.23 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 3dxf s VAL 54 CO 0.23 0.39 -0.18 0.68 0.00 0.00 0.00 175.10 176.22 3dxf s VAL 55 N 1.11 2.71 0.09 2.92 -7.23 0.18 -4.94 120.40 115.24 3dxf s VAL 55 Ca 0.04 -0.89 -0.07 0.00 -1.81 0.00 0.00 61.98 59.25 3dxf s VAL 55 Cb -0.14 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 3dxf s VAL 55 CO 0.03 0.57 0.36 -1.58 -0.31 0.00 0.00 175.10 174.16 3dxf s GLN 56 N -0.75 3.65 0.00 4.82 0.74 -1.26 -0.68 119.66 126.18 3dxf s GLN 56 Ca 0.11 -0.00 0.00 0.00 0.05 0.00 0.00 55.36 55.52 3dxf s GLN 56 Cb -0.10 -2.96 0.00 0.00 1.10 0.00 0.00 33.01 31.05 3dxf s GLN 56 CO 0.00 0.54 0.00 0.41 -0.55 0.00 0.00 175.29 175.70 3dxf n GLY 57 N 0.61 3.61 3.98 2.59 0.00 0.03 -4.83 105.19 111.18 3dxf n GLY 57 Ca -0.06 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 3dxf n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dxf s ASP 58 N 0.00 5.72 0.00 1.61 2.15 -1.26 -3.22 116.67 121.67 3dxf s ASP 58 Ca 0.00 -0.35 0.13 0.00 0.43 0.00 0.00 52.55 52.75 3dxf s ASP 58 Cb 0.00 -0.91 0.63 0.00 -0.30 0.00 0.00 42.92 42.34 3dxf s ASP 58 CO 0.00 -0.59 1.42 0.00 -0.17 0.00 0.00 175.17 175.84 3dxf n GLN 59 N -1.71 1.22 0.18 4.34 6.02 -1.26 -2.15 117.38 124.02 3dxf n GLN 59 Ca 0.04 -0.34 0.12 0.00 -0.01 0.00 0.00 57.00 56.81 3dxf n GLN 59 Cb 0.59 -1.22 0.18 0.00 1.02 0.00 0.00 30.24 30.81 3dxf n GLN 59 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3dxf h ASP 60 N 0.62 0.00 -3.22 1.08 3.32 -1.95 -3.42 116.42 112.86 3dxf h ASP 60 Ca 0.00 -0.01 -0.76 0.00 0.02 0.00 0.00 57.03 56.28 3dxf h ASP 60 Cb 0.14 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.44 3dxf h ASP 60 CO 0.00 0.00 -0.18 -0.62 -1.72 0.00 0.00 179.24 176.72 3dxf s ASP 61 N -5.74 6.24 0.05 6.45 -1.08 -0.91 -4.95 116.67 116.73 3dxf s ASP 61 Ca 0.06 -1.94 -0.21 0.00 -0.52 0.00 0.00 52.55 49.94 3dxf s ASP 61 Cb 0.07 -2.20 -0.14 0.00 -1.46 0.00 0.00 42.92 39.20 3dxf s ASP 61 CO 0.68 -0.80 1.43 -0.61 0.52 0.00 0.00 175.17 176.38 3dxf h GLN 62 N 8.68 0.27 -0.23 4.34 4.15 -1.86 -1.18 115.11 129.28 3dxf h GLN 62 Ca -0.23 -0.11 0.05 0.00 0.77 0.00 0.00 58.65 59.14 3dxf h GLN 62 Cb 1.09 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.71 3dxf h GLN 62 CO 0.98 0.57 -0.11 0.28 -1.93 0.00 0.00 178.83 178.62 3dxf h VAL 63 N -0.04 0.66 -0.77 2.39 2.07 -1.98 0.03 116.25 118.61 3dxf h VAL 63 Ca 0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 3dxf h VAL 63 Cb 0.47 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3dxf h VAL 63 CO 0.01 0.00 0.27 0.40 0.02 0.00 0.00 177.57 178.27 3dxf h ILE 64 N -0.07 1.26 -0.13 4.57 1.08 -1.93 -2.02 117.51 120.26 3dxf h ILE 64 Ca 0.12 -0.87 -0.13 0.00 -0.39 0.00 0.00 64.86 63.59 3dxf h ILE 64 Cb 0.26 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 3dxf h ILE 64 CO -0.28 0.35 -0.47 0.24 -0.69 0.00 0.00 178.15 177.30 3dxf h MET 65 N 1.13 0.33 -0.32 2.37 2.86 -0.90 -1.16 114.93 119.24 3dxf h MET 65 Ca 0.25 -0.18 -0.18 0.00 -2.06 0.00 0.00 59.70 57.53 3dxf h MET 65 Cb 0.27 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3dxf h MET 65 CO -0.01 0.74 -0.49 1.49 1.06 0.00 0.00 176.91 179.69 3dxf h GLU 66 N 0.27 0.89 -0.77 1.72 4.81 -0.94 -1.24 114.58 119.32 3dxf h GLU 66 Ca 0.02 -0.53 0.03 0.00 -0.13 0.00 0.00 59.36 58.75 3dxf h GLU 66 Cb 0.93 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.31 3dxf h GLU 66 CO 0.08 1.17 0.49 1.25 -0.73 0.00 0.00 179.01 181.27 3dxf h LEU 67 N 0.70 0.80 -0.89 1.64 6.46 -1.25 -0.03 115.31 122.74 3dxf h LEU 67 Ca 0.03 -0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.68 3dxf h LEU 67 Cb 1.10 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.84 3dxf h LEU 67 CO 0.11 0.55 -0.34 0.00 -0.62 0.00 0.00 178.44 178.15 3dxf h ALA 68 N 1.33 1.06 -0.00 1.25 0.00 -1.12 -3.09 119.26 118.69 3dxf h ALA 68 Ca 0.31 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3dxf h ALA 68 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3dxf h ALA 68 CO -0.12 0.58 -0.38 1.28 0.00 0.00 0.00 179.25 180.61 3dxf n LEU 69 N -4.07 0.67 -4.70 0.00 4.77 -0.48 -4.87 117.00 108.32 3dxf n LEU 69 Ca -0.01 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 3dxf n LEU 69 Cb 0.45 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3dxf n LEU 69 CO 0.42 0.14 1.17 0.21 -1.33 0.00 0.00 177.39 178.01 3dxf s ASN 70 N -2.80 6.74 0.00 -1.43 3.84 -0.07 -2.61 114.94 118.61 3dxf s ASN 70 Ca 0.17 2.35 0.00 0.00 0.21 0.00 0.00 52.86 55.59 3dxf s ASN 70 Cb 0.18 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.31 3dxf s ASN 70 CO 0.62 -0.76 0.00 0.61 -2.79 0.00 0.00 177.10 174.79 3dxf n GLY 71 N 3.70 0.74 3.72 1.21 0.00 -1.26 -5.03 105.19 108.27 3dxf n GLY 71 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.77 3.24 0.10 4.61 0.00 -1.07 -4.50 121.76 121.35 3dxf s ALA 72 Ca 0.00 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 3dxf s ALA 72 Cb 0.00 -3.21 -0.17 0.00 0.00 0.00 0.00 23.12 19.74 3dxf s ALA 72 CO 0.00 -0.13 1.26 -0.92 0.00 0.00 0.00 175.76 175.97 3dxf h TYR 73 N 6.43 1.01 -3.29 0.00 3.20 -1.43 -3.41 116.97 119.49 3dxf h TYR 73 Ca -0.42 -0.50 -0.02 0.00 3.14 0.00 0.00 58.73 60.94 3dxf h TYR 73 Cb 1.21 -0.14 -0.10 0.00 1.54 0.00 0.00 36.73 39.25 3dxf h TYR 73 CO 0.66 1.33 0.04 0.00 -1.64 0.00 0.00 178.16 178.56 3dxf s ALA 74 N -3.52 -0.95 0.01 1.82 0.00 -1.12 -1.61 121.76 116.38 3dxf s ALA 74 Ca -0.10 -0.23 -0.08 0.00 0.00 0.00 0.00 51.96 51.56 3dxf s ALA 74 Cb 0.08 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.06 3dxf s ALA 74 CO 0.91 -0.82 0.15 -0.08 0.00 0.00 0.00 175.76 175.92 3dxf s THR 75 N -3.88 0.09 -0.26 0.00 -1.32 -0.95 -1.48 115.64 107.84 3dxf s THR 75 Ca 0.10 -0.75 -0.03 0.00 -1.21 0.00 0.00 61.69 59.80 3dxf s THR 75 Cb -0.01 -0.56 0.02 0.00 -1.51 0.00 0.00 72.50 70.45 3dxf s THR 75 CO -0.02 -0.41 -0.03 0.12 -2.21 0.00 0.00 174.62 172.07 3dxf s PHE 76 N -1.67 3.10 -0.16 9.09 5.36 0.59 -0.47 117.98 133.82 3dxf s PHE 76 Ca -0.12 -1.46 -0.06 0.00 -0.96 0.00 0.00 56.93 54.33 3dxf s PHE 76 Cb -0.06 -2.10 -0.04 0.00 -0.34 0.00 0.00 43.02 40.48 3dxf s PHE 76 CO 0.00 -0.70 0.03 0.42 -1.46 0.00 0.00 175.22 173.51 3dxf s ILE 77 N 1.36 4.50 -0.05 3.12 1.01 -0.27 -0.86 121.20 130.00 3dxf s ILE 77 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.51 3dxf s ILE 77 Cb -0.17 -3.00 0.02 0.00 0.01 0.00 0.00 42.46 39.33 3dxf s ILE 77 CO -0.03 0.49 -0.03 0.54 0.00 0.00 0.00 174.94 175.91 3dxf s VAL 78 N 0.19 0.49 0.33 2.92 0.11 -1.26 -1.66 120.40 121.53 3dxf s VAL 78 Ca 0.02 -0.07 0.07 0.00 -2.93 0.00 0.00 61.98 59.08 3dxf s VAL 78 Cb -0.13 -0.55 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 3dxf s VAL 78 CO 0.01 0.23 0.39 0.42 -3.33 0.00 0.00 175.10 172.83 3dxf s THR 79 N 1.15 3.89 0.00 5.04 -4.23 -1.26 -4.53 115.64 115.70 3dxf s THR 79 Ca -0.07 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 3dxf s THR 79 Cb -0.14 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.37 3dxf s THR 79 CO -0.01 -0.17 0.00 -3.20 -0.54 0.00 0.00 174.62 170.70 3dxf n ASN 80 N -1.52 0.00 -0.80 3.99 2.85 -1.26 -5.13 115.26 113.39 3dxf n ASN 80 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 3dxf n ASN 80 Cb 0.59 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.61 3dxf n ASN 80 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 3dxf n SER 86 N -0.20 -0.79 -0.10 1.20 2.88 -1.26 -4.66 113.62 110.69 3dxf n SER 86 Ca 0.00 0.34 -0.08 0.00 -1.33 0.00 0.00 58.87 57.81 3dxf n SER 86 Cb 0.00 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 3dxf n SER 86 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3dxf h GLN 87 N 3.26 0.38 -0.50 -1.46 4.15 -2.00 -2.49 115.11 116.44 3dxf h GLN 87 Ca 0.00 -0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.49 3dxf h GLN 87 Cb 0.00 -0.08 -0.10 0.00 0.21 0.00 0.00 27.48 27.50 3dxf h GLN 87 CO 0.00 0.25 -0.37 0.93 -1.93 0.00 0.00 178.83 177.71 3dxf h GLU 88 N 0.39 -0.22 -0.02 1.69 4.39 -2.00 -1.41 114.58 117.40 3dxf h GLU 88 Ca 0.14 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.87 3dxf h GLU 88 Cb 0.03 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3dxf h GLU 88 CO -0.08 -0.15 -0.08 0.37 -1.16 0.00 0.00 179.01 177.92 3dxf h GLN 89 N -0.23 -0.12 -0.98 2.33 4.15 -1.93 -2.09 115.11 116.24 3dxf h GLN 89 Ca 0.19 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.68 3dxf h GLN 89 Cb 0.56 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.21 3dxf h GLN 89 CO -0.62 -0.08 0.63 1.49 -1.93 0.00 0.00 178.83 178.32 3dxf h GLU 90 N -0.12 1.10 -0.40 1.69 4.81 -1.02 0.66 114.58 121.29 3dxf h GLU 90 Ca 0.04 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3dxf h GLU 90 Cb 0.18 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3dxf h GLU 90 CO -0.10 0.73 0.07 0.28 -0.73 0.00 0.00 179.01 179.27 3dxf h VAL 91 N 1.14 1.24 -0.53 0.32 2.07 -1.09 -1.12 116.25 118.27 3dxf h VAL 91 Ca 0.42 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 67.11 3dxf h VAL 91 Cb 0.18 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3dxf h VAL 91 CO -0.17 0.29 0.33 0.11 0.02 0.00 0.00 177.57 178.16 3dxf h LYS 92 N 0.52 0.65 -0.71 1.57 1.57 -0.57 0.13 116.57 119.72 3dxf h LYS 92 Ca 0.12 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3dxf h LYS 92 Cb 0.36 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3dxf h LYS 92 CO 0.01 0.43 0.25 1.96 -0.57 0.00 0.00 179.45 181.53 3dxf h GLN 93 N 0.66 1.06 -0.02 3.15 4.20 -0.75 0.83 115.11 124.26 3dxf h GLN 93 Ca 0.21 -0.20 -0.24 0.00 0.06 0.00 0.00 58.65 58.48 3dxf h GLN 93 Cb -0.01 -0.17 0.02 0.00 0.30 0.00 0.00 27.48 27.62 3dxf h GLN 93 CO -0.08 0.89 -0.92 0.78 -0.67 0.00 0.00 178.83 178.83 3dxf h GLY 94 N 1.09 0.73 1.50 3.46 0.00 -0.94 -2.46 103.07 106.44 3dxf h GLY 94 Ca 0.23 -1.24 -0.09 0.00 0.00 0.00 0.00 47.33 46.23 3dxf h GLY 94 CO -0.01 1.10 -0.18 0.50 0.00 0.00 0.00 176.54 177.94 3dxf h LYS 95 N 0.30 0.59 -0.09 4.80 1.57 -0.89 0.99 116.57 123.85 3dxf h LYS 95 Ca -0.11 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.50 3dxf h LYS 95 Cb 1.58 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.81 3dxf h LYS 95 CO 0.18 0.74 -0.11 1.25 -0.57 0.00 0.00 179.45 180.95 3dxf h LEU 96 N 0.53 -0.33 -0.94 2.94 6.46 -0.84 0.20 115.31 123.34 3dxf h LEU 96 Ca 0.09 0.06 -0.11 0.00 -0.12 0.00 0.00 57.88 57.80 3dxf h LEU 96 Cb 0.61 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 3dxf h LEU 96 CO 0.04 -0.15 -0.53 -0.07 -0.62 0.00 0.00 178.44 177.12 3dxf h LEU 97 N -0.14 0.01 -0.46 2.25 3.38 -1.14 -1.78 115.31 117.43 3dxf h LEU 97 Ca 0.07 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 3dxf h LEU 97 Cb 0.24 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3dxf h LEU 97 CO -0.17 0.53 -0.32 0.00 0.09 0.00 0.00 178.44 178.57 3dxf h ALA 98 N 1.47 0.64 -0.30 1.53 0.00 -0.58 -1.25 119.26 120.77 3dxf h ALA 98 Ca -0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3dxf h ALA 98 Cb 0.93 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3dxf h ALA 98 CO 0.07 0.67 -0.24 -0.44 0.00 0.00 0.00 179.25 179.32 3dxf h ASP 99 N 0.78 0.57 -0.23 0.00 3.32 -0.36 -2.37 116.42 118.12 3dxf h ASP 99 Ca 0.08 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 3dxf h ASP 99 Cb 0.91 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 3dxf h ASP 99 CO 0.08 0.80 -0.18 -0.07 -1.72 0.00 0.00 179.24 178.15 3dxf h LEU 100 N 0.50 0.57 -1.43 1.55 4.07 -1.27 -1.14 115.31 118.16 3dxf h LEU 100 Ca 0.07 -0.45 -0.02 0.00 0.08 0.00 0.00 57.88 57.56 3dxf h LEU 100 Cb 0.68 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 3dxf h LEU 100 CO 0.05 0.90 0.16 0.00 -1.08 0.00 0.00 178.44 178.47 3dxf h ALA 101 N 0.69 1.56 0.12 1.53 0.00 -1.12 0.16 119.26 122.20 3dxf h ALA 101 Ca 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3dxf h ALA 101 Cb 0.72 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3dxf h ALA 101 CO 0.05 0.35 -0.06 -0.09 0.00 0.00 0.00 179.25 179.50 3dxf h ARG 102 N 0.54 -0.16 -0.26 0.00 2.43 -1.38 -1.58 114.38 113.98 3dxf h ARG 102 Ca 0.13 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3dxf h ARG 102 Cb 0.10 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3dxf h ARG 102 CO -0.01 0.21 0.01 -0.09 -1.51 0.00 0.00 179.97 178.57 3dxf h ARG 103 N -0.55 0.38 -0.01 0.20 2.43 -0.73 -2.31 114.38 113.80 3dxf h ARG 103 Ca -0.02 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3dxf h ARG 103 Cb 0.44 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3dxf h ARG 103 CO 0.03 0.40 -0.43 1.28 -1.51 0.00 0.00 179.97 179.73 3dxf n LEU 104 N -4.34 1.08 -1.09 3.80 4.77 0.50 -4.95 117.00 116.77 3dxf n LEU 104 Ca 0.01 -0.31 -0.09 0.00 -0.03 0.00 0.00 56.01 55.58 3dxf n LEU 104 Cb 0.20 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3dxf n LEU 104 CO 0.37 0.22 -0.08 0.61 -1.33 0.00 0.00 177.39 177.17 3dxf n GLY 105 N 1.41 0.05 3.71 -0.72 0.00 -0.87 -4.94 105.19 103.83 3dxf n GLY 105 Ca 0.09 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.39 3.82 -0.08 0.99 4.32 -0.63 -4.89 117.00 119.15 3dxf n LEU 106 Ca -0.09 1.08 -0.01 0.00 -0.02 0.00 0.00 56.01 56.97 3dxf n LEU 106 Cb 0.57 -1.54 0.25 0.00 -1.62 0.00 0.00 43.42 41.08 3dxf n LEU 106 CO 0.14 0.06 1.00 0.45 -1.22 0.00 0.00 177.39 177.81 3dxf h HIS 107 N 6.26 0.72 -2.50 -1.77 3.86 -1.53 -3.45 115.15 116.74 3dxf h HIS 107 Ca -0.44 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 58.62 3dxf h HIS 107 Cb 1.22 -0.22 -0.22 0.00 1.06 0.00 0.00 27.41 29.26 3dxf h HIS 107 CO 0.63 0.61 -0.09 -0.47 0.86 0.00 0.00 177.93 179.47 3dxf s TYR 108 N -5.20 -0.51 -0.04 2.45 5.04 -1.12 -4.79 117.35 113.19 3dxf s TYR 108 Ca -0.09 1.13 0.02 0.00 -2.44 0.00 0.00 57.07 55.69 3dxf s TYR 108 Cb 0.16 0.21 0.01 0.00 0.35 0.00 0.00 41.96 42.69 3dxf s TYR 108 CO 0.78 -0.36 -0.10 0.08 -1.34 0.00 0.00 175.55 174.61 3dxf s VAL 109 N -0.30 0.91 -0.30 3.14 1.01 -0.12 -2.25 120.40 122.49 3dxf s VAL 109 Ca -0.05 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 3dxf s VAL 109 Cb -0.03 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.54 3dxf s VAL 109 CO 0.03 0.29 0.08 -0.69 0.00 0.00 0.00 175.10 174.81 3dxf s VAL 110 N 0.36 3.94 -0.17 2.92 1.01 0.38 -0.90 120.40 127.93 3dxf s VAL 110 Ca -0.07 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 3dxf s VAL 110 Cb -0.11 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 3dxf s VAL 110 CO 0.01 0.07 0.04 -0.47 0.00 0.00 0.00 175.10 174.75 3dxf s TYR 111 N 1.49 3.20 -1.05 5.22 5.04 -0.48 -1.11 117.35 129.66 3dxf s TYR 111 Ca 0.02 0.00 -0.22 0.00 -2.44 0.00 0.00 57.07 54.43 3dxf s TYR 111 Cb -0.17 -2.04 0.03 0.00 0.35 0.00 0.00 41.96 40.13 3dxf s TYR 111 CO 0.02 0.13 1.60 0.45 -1.34 0.00 0.00 175.55 176.41 3dxf s SER 112 N 0.31 6.27 0.41 4.32 0.15 -0.66 -0.59 113.70 123.91 3dxf s SER 112 Ca 0.02 -1.50 0.05 0.00 0.70 0.00 0.00 55.95 55.22 3dxf s SER 112 Cb -0.13 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.68 3dxf s SER 112 CO 0.01 -1.72 0.54 0.61 1.20 0.00 0.00 173.24 173.88 3dxf n GLY 113 N 6.60 1.77 3.44 9.45 0.00 -0.49 -4.73 105.19 121.23 3dxf n GLY 113 Ca 0.37 -2.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.29 0.49 0.99 1.02 -1.26 -3.95 118.68 115.68 3dxf s LEU 114 Ca 0.40 0.44 -0.24 0.00 0.02 0.00 0.00 54.13 54.75 3dxf s LEU 114 Cb -0.03 2.26 -0.07 0.00 0.02 0.00 0.00 46.19 48.37 3dxf s LEU 114 CO 0.26 -0.64 1.40 -1.61 0.02 0.00 0.00 176.35 175.77 3dxf s GLU 115 N -1.71 3.44 -0.87 1.70 8.01 -1.26 -2.59 118.70 125.42 3dxf s GLU 115 Ca -0.09 2.33 -0.25 0.00 0.01 0.00 0.00 54.97 56.98 3dxf s GLU 115 Cb -0.01 -2.48 0.00 0.00 -4.31 0.00 0.00 34.13 27.33 3dxf s GLU 115 CO 0.05 -0.98 1.67 1.21 0.01 0.00 0.00 175.26 177.21 3dxf s ASN 116 N -0.71 5.76 0.42 -0.19 3.84 -1.26 -4.12 114.94 118.69 3dxf s ASN 116 Ca 0.66 -0.72 0.19 0.00 0.21 0.00 0.00 52.86 53.20 3dxf s ASN 116 Cb -0.42 -2.56 0.93 0.00 -0.55 0.00 0.00 41.25 38.65 3dxf s ASN 116 CO 0.52 -2.14 1.87 0.40 -2.79 0.00 0.00 177.10 174.96 3dxf h ILE 117 N 6.86 0.91 0.13 -5.21 1.08 -1.89 -1.54 117.51 117.85 3dxf h ILE 117 Ca 0.01 -1.12 -0.33 0.00 -0.39 0.00 0.00 64.86 63.03 3dxf h ILE 117 Cb 1.04 1.66 -0.01 0.00 -3.07 0.00 0.00 36.82 36.45 3dxf h ILE 117 CO 1.29 0.29 -1.68 0.50 -0.69 0.00 0.00 178.15 177.86 3dxf h LYS 118 N 0.00 0.28 0.75 2.37 3.64 -1.89 -2.98 116.57 118.74 3dxf h LYS 118 Ca -0.00 -0.48 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 3dxf h LYS 118 Cb 0.64 0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3dxf h LYS 118 CO 0.04 1.15 -0.36 -0.22 -2.27 0.00 0.00 179.45 177.79 3dxf h LYS 119 N 0.08 -0.97 -0.55 1.90 3.64 -1.82 0.70 116.57 119.56 3dxf h LYS 119 Ca -0.30 0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.24 3dxf h LYS 119 Cb 2.05 0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 34.05 3dxf h LYS 119 CO 0.15 -0.64 0.37 1.25 -2.27 0.00 0.00 179.45 178.31 3dxf h LEU 120 N -1.09 0.32 -0.98 5.20 5.85 -1.41 0.73 115.31 123.92 3dxf h LEU 120 Ca -0.10 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3dxf h LEU 120 Cb 0.77 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3dxf h LEU 120 CO 0.17 0.19 -0.39 1.07 -0.34 0.00 0.00 178.44 179.14 3dxf n THR 121 N -4.47 0.00 -3.11 1.05 5.66 -1.12 -4.97 114.28 107.33 3dxf n THR 121 Ca 0.09 -0.25 -0.14 0.00 -3.05 0.00 0.00 64.05 60.69 3dxf n THR 121 Cb 0.36 1.11 0.05 0.00 -1.55 0.00 0.00 70.33 70.30 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 -0.02 -0.89 -0.28 1.79 0.00 0.25 -3.27 120.51 118.09 3dxf n ALA 122 Ca 0.10 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3dxf n ALA 122 Cb 0.46 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.74 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 -1.35 1.63 0.20 0.00 0.00 0.24 -4.88 105.19 101.02 3dxf n GLY 123 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 3dxf n GLY 123 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3dxf h ARG 124 N 2.97 0.65 -6.33 1.61 2.43 -1.79 -3.42 114.38 110.51 3dxf h ARG 124 Ca 0.00 -0.38 -0.63 0.00 -0.81 0.00 0.00 59.98 58.17 3dxf h ARG 124 Cb 0.00 0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 29.47 3dxf h ARG 124 CO 0.00 0.99 -0.65 -0.51 -1.51 0.00 0.00 179.97 178.29 3dxf s LEU 125 N -8.90 3.46 -0.16 3.80 1.43 -1.26 -5.14 118.68 111.91 3dxf s LEU 125 Ca -0.12 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 52.65 3dxf s LEU 125 Cb 0.08 -2.16 0.05 0.00 0.03 0.00 0.00 46.19 44.20 3dxf s LEU 125 CO 0.83 0.14 0.39 0.00 0.23 0.00 0.00 176.35 177.94 3dxf s ALA 126 N -1.47 -0.99 -0.20 4.21 0.00 -1.26 -3.47 121.76 118.58 3dxf s ALA 126 Ca 0.27 1.42 -0.05 0.00 0.00 0.00 0.00 51.96 53.60 3dxf s ALA 126 Cb -0.11 -0.86 0.07 0.00 0.00 0.00 0.00 23.12 22.22 3dxf s ALA 126 CO 0.19 -0.25 0.11 0.00 0.00 0.00 0.00 175.76 175.82 3dxf s ALA 127 N 1.23 0.38 0.46 0.00 0.00 -1.26 -4.62 121.76 117.95 3dxf s ALA 127 Ca -0.08 -0.41 0.21 0.00 0.00 0.00 0.00 51.96 51.67 3dxf s ALA 127 Cb -0.08 -1.14 1.20 0.00 0.00 0.00 0.00 23.12 23.10 3dxf s ALA 127 CO -0.11 -1.28 1.91 0.00 0.00 0.00 0.00 175.76 176.28 3dxf h ALA 128 N 8.41 2.33 0.00 0.00 0.00 -1.99 0.75 119.26 128.76 3dxf h ALA 128 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3dxf h ALA 128 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dxf h ALA 128 CO 0.32 -0.56 0.00 -2.39 0.00 0.00 0.00 179.25 176.62 3dxf n HIS 129 N -4.43 0.00 -0.08 0.00 -0.00 -1.26 -3.00 115.22 106.44 3dxf n HIS 129 Ca 0.15 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.70 3dxf n HIS 129 Cb 0.66 -0.50 -0.06 0.00 -0.00 0.00 0.00 29.99 30.10 3dxf n HIS 129 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3dxf n PHE 130 N -1.50 0.00 -0.17 -1.40 3.01 -0.13 -4.66 117.46 112.61 3dxf n PHE 130 Ca 0.06 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.50 3dxf n PHE 130 Cb 0.27 -0.60 0.08 0.00 -0.01 0.00 0.00 39.48 39.21 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 -0.63 0.18 -0.36 4.37 3.32 -1.01 0.06 116.42 122.35 3dxf h ASP 131 Ca -0.41 0.07 0.07 0.00 0.02 0.00 0.00 57.03 56.77 3dxf h ASP 131 Cb 1.33 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.87 3dxf h ASP 131 CO -0.25 0.13 -0.03 1.23 -1.72 0.00 0.00 179.24 178.59 3dxf h GLY 132 N 0.37 0.32 2.00 2.75 0.00 -1.78 -0.65 103.07 106.08 3dxf h GLY 132 Ca 0.26 0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.60 3dxf h GLY 132 CO -0.27 -0.11 -0.29 0.50 0.00 0.00 0.00 176.54 176.37 3dxf h LYS 133 N 0.06 0.00 0.04 4.80 1.57 -1.61 -0.62 116.57 120.81 3dxf h LYS 133 Ca 0.18 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3dxf h LYS 133 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3dxf h LYS 133 CO -0.33 0.29 -0.02 0.78 -0.57 0.00 0.00 179.45 179.61 3dxf h GLY 134 N 1.05 -0.05 0.32 3.86 0.00 -0.44 0.20 103.07 108.02 3dxf h GLY 134 Ca -0.00 0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.41 3dxf h GLY 134 CO 0.04 -0.02 -0.09 0.83 0.00 0.00 0.00 176.54 177.30 3dxf h GLU 135 N -0.39 -0.01 -0.43 4.80 5.08 -0.94 -1.65 114.58 121.05 3dxf h GLU 135 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3dxf h GLU 135 Cb 0.36 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3dxf h GLU 135 CO 0.01 -0.00 0.26 0.28 -1.00 0.00 0.00 179.01 178.56 3dxf h VAL 136 N -0.01 1.07 -0.47 3.13 2.07 -1.08 0.41 116.25 121.38 3dxf h VAL 136 Ca 0.16 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.59 3dxf h VAL 136 Cb 0.25 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 3dxf h VAL 136 CO -0.35 0.10 0.01 -0.33 0.02 0.00 0.00 177.57 177.02 3dxf h GLU 137 N 0.54 0.12 -0.43 1.57 5.08 -0.68 -2.01 114.58 118.76 3dxf h GLU 137 Ca 0.16 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 3dxf h GLU 137 Cb -0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3dxf h GLU 137 CO -0.06 0.08 -0.29 1.49 -1.00 0.00 0.00 179.01 179.23 3dxf h GLU 138 N 0.12 0.94 -0.71 2.33 4.81 -0.98 -3.12 114.58 117.98 3dxf h GLU 138 Ca 0.23 -0.44 0.09 0.00 -0.13 0.00 0.00 59.36 59.11 3dxf h GLU 138 Cb 0.35 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.64 3dxf h GLU 138 CO -0.39 1.10 0.36 -0.92 -0.73 0.00 0.00 179.01 178.43 3dxf h TYR 139 N 0.79 0.65 -0.95 0.92 3.20 -0.32 0.24 116.97 121.51 3dxf h TYR 139 Ca 0.09 0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.12 3dxf h TYR 139 Cb 0.86 -0.19 -0.09 0.00 1.54 0.00 0.00 36.73 38.86 3dxf h TYR 139 CO 0.05 0.25 0.57 0.74 -1.64 0.00 0.00 178.16 178.14 3dxf h PHE 140 N 0.63 1.01 0.00 -3.82 0.04 -1.32 -1.48 116.94 112.00 3dxf h PHE 140 Ca 0.34 0.03 -0.18 0.00 2.80 0.00 0.00 57.97 60.96 3dxf h PHE 140 Cb 0.33 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 3dxf h PHE 140 CO -0.10 0.34 -1.27 0.00 -0.60 0.00 0.00 178.31 176.67 3dxf h ARG 141 N 0.84 0.00 -0.74 1.51 3.08 -1.35 0.57 114.38 118.30 3dxf h ARG 141 Ca 0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.53 3dxf h ARG 141 Cb 0.59 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 3dxf h ARG 141 CO -0.31 0.41 0.41 -0.44 -1.07 0.00 0.00 179.97 178.96 3dxf h ASP 142 N 0.00 0.91 -0.27 7.04 3.32 -0.21 -2.77 116.42 124.44 3dxf h ASP 142 Ca -0.14 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3dxf h ASP 142 Cb 1.63 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.95 3dxf h ASP 142 CO 0.06 0.73 0.00 2.30 -1.72 0.00 0.00 179.24 180.61 3dxf n ILE 143 N -4.36 0.34 -1.57 0.35 -5.35 -0.59 -4.98 119.36 103.20 3dxf n ILE 143 Ca 0.07 -0.61 -0.07 0.00 -0.27 0.00 0.00 62.75 61.88 3dxf n ILE 143 Cb 0.10 0.94 -0.02 0.00 -1.74 0.00 0.00 39.64 38.92 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 1.40 0.57 3.73 3.28 0.00 -0.75 -5.02 105.19 108.40 3dxf n GLY 144 Ca 0.18 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.28 3.53 -0.29 1.61 1.01 0.12 -4.97 120.40 119.13 3dxf s VAL 145 Ca 0.00 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.90 3dxf s VAL 145 Cb 0.00 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 3dxf s VAL 145 CO 0.00 0.15 1.64 -2.16 0.00 0.00 0.00 175.10 174.73 3dxf s PRO 146 N 0.27 3.60 -0.08 2.72 0.04 -1.26 -4.58 135.00 135.70 3dxf s PRO 146 Ca 0.57 1.45 -0.07 0.00 0.04 0.00 0.00 61.00 62.98 3dxf s PRO 146 Cb -0.34 -4.09 0.02 0.00 0.04 0.00 0.00 34.50 30.14 3dxf s PRO 146 CO 0.34 -1.54 0.22 1.41 0.04 0.00 0.00 177.00 177.48 3dxf s MET 147 N 5.06 0.25 -0.13 4.56 1.75 -1.26 -0.95 119.30 128.59 3dxf s MET 147 Ca 0.72 0.32 0.01 0.00 -1.25 0.00 0.00 55.69 55.49 3dxf s MET 147 Cb -0.22 0.11 -0.01 0.00 2.84 0.00 0.00 34.83 37.56 3dxf s MET 147 CO 0.31 -0.04 -0.17 0.99 -0.65 0.00 0.00 175.02 175.47 3dxf s THR 148 N 0.18 2.62 -0.01 10.11 2.01 -0.08 -1.34 115.64 129.14 3dxf s THR 148 Ca -0.01 -0.80 -0.18 0.00 0.31 0.00 0.00 61.69 61.01 3dxf s THR 148 Cb -0.02 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 3dxf s THR 148 CO -0.00 0.53 0.51 -0.55 -0.69 0.00 0.00 174.62 174.41 3dxf s SER 149 N 0.53 6.88 -0.23 3.53 0.15 -0.16 -1.39 113.70 123.01 3dxf s SER 149 Ca -0.11 1.05 -0.03 0.00 0.70 0.00 0.00 55.95 57.56 3dxf s SER 149 Cb -0.16 -2.31 0.01 0.00 -1.71 0.00 0.00 66.02 61.84 3dxf s SER 149 CO 0.04 0.19 -0.05 0.68 1.20 0.00 0.00 173.24 175.30 3dxf s VAL 150 N -0.48 3.17 -0.50 4.45 -7.23 0.24 -0.80 120.40 119.24 3dxf s VAL 150 Ca 0.27 -0.70 -0.14 0.00 -1.81 0.00 0.00 61.98 59.60 3dxf s VAL 150 Cb -0.17 -2.50 0.11 0.00 0.56 0.00 0.00 36.38 34.38 3dxf s VAL 150 CO 0.15 0.34 0.43 -0.13 -0.31 0.00 0.00 175.10 175.58 3dxf s ARG 151 N 1.42 2.85 0.26 4.82 0.52 -0.62 -1.40 118.95 126.79 3dxf s ARG 151 Ca 0.04 -1.63 -0.29 0.00 -0.52 0.00 0.00 55.73 53.32 3dxf s ARG 151 Cb -0.15 -4.15 -0.09 0.00 0.52 0.00 0.00 34.95 31.08 3dxf s ARG 151 CO -0.04 -1.21 0.97 -0.51 0.02 0.00 0.00 175.30 174.53 3dxf s LEU 152 N 1.54 4.59 0.00 2.53 1.02 -1.26 -1.02 118.68 126.09 3dxf s LEU 152 Ca 0.04 2.00 -0.10 0.00 0.02 0.00 0.00 54.13 56.09 3dxf s LEU 152 Cb -0.28 -3.66 0.18 0.00 0.02 0.00 0.00 46.19 42.46 3dxf s LEU 152 CO 0.03 0.07 1.14 -0.81 0.02 0.00 0.00 176.35 176.80 3dxf n PRO 153 N 1.32 -0.80 -1.64 1.29 -0.04 -1.25 -4.96 135.00 128.92 3dxf n PRO 153 Ca -0.01 -2.18 -0.51 0.00 -0.04 0.00 0.00 63.50 60.76 3dxf n PRO 153 Cb 0.47 -1.05 -0.05 0.00 -0.04 0.00 0.00 33.50 32.83 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 1.46 3.11 0.51 0.00 2.02 -1.26 -3.43 117.35 119.76 3dxf s TYR 155 Ca 0.86 1.54 0.19 0.00 -0.37 0.00 0.00 57.07 59.28 3dxf s TYR 155 Cb -0.86 -3.46 1.27 0.00 -0.40 0.00 0.00 41.96 38.51 3dxf s TYR 155 CO 0.48 -1.38 2.07 0.74 -1.57 0.00 0.00 175.55 175.88 3dxf h PHE 156 N 2.95 0.08 0.00 2.71 0.04 -1.58 -2.63 116.94 118.50 3dxf h PHE 156 Ca -0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 3dxf h PHE 156 Cb 1.23 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.36 3dxf h PHE 156 CO 0.56 0.04 0.00 0.93 -0.60 0.00 0.00 178.31 179.24 3dxf h GLU 157 N 0.07 0.00 0.00 1.51 3.07 -1.91 -2.35 114.58 114.97 3dxf h GLU 157 Ca 0.14 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.95 3dxf h GLU 157 Cb 0.45 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3dxf h GLU 157 CO -0.01 0.00 -0.23 -0.91 -1.40 0.00 0.00 179.01 176.46 3dxf h ASN 158 N 0.00 0.00 -0.03 1.42 2.35 -1.86 -2.29 115.58 115.18 3dxf h ASN 158 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3dxf h ASN 158 Cb 0.18 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 3dxf h ASN 158 CO 0.00 0.23 0.03 -0.07 -1.65 0.00 0.00 177.43 175.97 3dxf h LEU 159 N 0.00 0.00 0.00 1.61 3.38 -1.62 0.57 115.31 119.25 3dxf h LEU 159 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3dxf h LEU 159 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3dxf h LEU 159 CO 0.03 0.00 -0.41 -0.07 0.09 0.00 0.00 178.44 178.08 3dxf h LEU 160 N 0.00 0.00 0.00 1.67 3.38 -1.61 -2.32 115.31 116.43 3dxf h LEU 160 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dxf h LEU 160 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dxf h LEU 160 CO -0.00 0.12 0.00 -1.20 0.09 0.00 0.00 178.44 177.45 3dxf n SER 161 N -3.01 0.00 -0.20 -0.43 7.64 0.05 -4.64 113.62 113.04 3dxf n SER 161 Ca 0.02 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.87 3dxf n SER 161 Cb 0.59 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.96 3dxf n SER 161 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3dxf h HIS 162 N 0.00 0.97 -0.25 1.43 3.86 -1.49 -3.18 115.15 116.49 3dxf h HIS 162 Ca 0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3dxf h HIS 162 Cb 0.00 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.17 3dxf h HIS 162 CO 0.00 0.73 0.00 1.19 0.86 0.00 0.00 177.93 180.71 3dxf n PHE 163 N -4.32 0.92 -1.68 2.45 3.72 0.18 -4.99 117.46 113.74 3dxf n PHE 163 Ca 0.06 -0.88 -0.51 0.00 -0.05 0.00 0.00 57.45 56.07 3dxf n PHE 163 Cb 0.16 -0.31 -0.06 0.00 -0.94 0.00 0.00 39.48 38.33 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 -0.53 3.07 -4.68 4.37 7.94 -0.87 -4.64 117.00 121.66 3dxf n LEU 164 Ca 0.21 0.96 -0.45 0.00 -1.11 0.00 0.00 56.01 55.62 3dxf n LEU 164 Cb 0.89 -1.30 -0.03 0.00 0.53 0.00 0.00 43.42 43.50 3dxf n LEU 164 CO 0.15 -0.20 1.17 -2.65 -1.11 0.00 0.00 177.39 174.74 3dxf n PRO 165 N 6.42 2.22 -3.06 1.96 -0.02 -1.26 -4.89 135.00 136.37 3dxf n PRO 165 Ca 0.25 0.80 -0.37 0.00 -2.02 0.00 0.00 63.50 62.16 3dxf n PRO 165 Cb 0.24 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.12 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 0.49 4.35 0.03 -0.52 -1.52 -0.48 -4.75 119.66 117.26 3dxf s GLN 166 Ca 0.75 0.97 -0.30 0.00 -1.95 0.00 0.00 55.36 54.82 3dxf s GLN 166 Cb -0.64 -2.97 -0.08 0.00 -0.22 0.00 0.00 33.01 29.10 3dxf s GLN 166 CO 0.41 0.44 1.73 0.21 -0.25 0.00 0.00 175.29 177.83 3dxf s LYS 167 N -1.76 4.18 1.08 2.91 2.20 -1.26 0.11 119.74 127.19 3dxf s LYS 167 Ca 0.41 2.36 -0.12 0.00 -0.36 0.00 0.00 55.97 58.26 3dxf s LYS 167 Cb -0.18 -3.83 0.24 0.00 -1.51 0.00 0.00 37.83 32.54 3dxf s LYS 167 CO 0.22 -0.82 1.06 0.00 -0.36 0.00 0.00 175.35 175.45 3dxf s ALA 168 N 3.43 0.21 0.56 3.13 0.00 0.77 -4.82 121.76 125.05 3dxf s ALA 168 Ca 0.77 -0.14 0.24 0.00 0.00 0.00 0.00 51.96 52.84 3dxf s ALA 168 Cb -0.39 -3.22 1.51 0.00 0.00 0.00 0.00 23.12 21.02 3dxf s ALA 168 CO 0.34 -3.38 2.11 -1.35 0.00 0.00 0.00 175.76 173.48 3dxf h PRO 169 N -2.29 0.00 0.00 0.00 0.11 -1.93 -1.98 132.00 125.91 3dxf h PRO 169 Ca -0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3dxf h PRO 169 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3dxf h PRO 169 CO 0.52 0.00 -0.12 0.38 -0.21 0.00 0.00 178.00 178.57 3dxf h ASP 170 N 0.00 0.00 0.00 -2.05 3.04 -1.90 -3.47 116.42 112.04 3dxf h ASP 170 Ca 0.09 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.87 3dxf h ASP 170 Cb 0.43 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.72 3dxf h ASP 170 CO -0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 3dxf n GLY 171 N 1.16 1.25 0.08 7.15 0.00 -0.75 -4.81 105.19 109.27 3dxf n GLY 171 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.00 1.24 -3.81 1.61 5.02 -1.26 -4.98 118.16 113.99 3dxf n LYS 172 Ca 0.00 -2.53 -0.09 0.00 -2.02 0.00 0.00 58.31 53.68 3dxf n LYS 172 Cb 0.00 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.57 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 -2.81 0.04 0.02 4.39 1.04 -1.26 -4.51 113.70 110.60 3dxf s SER 173 Ca 0.31 -1.18 0.01 0.00 0.48 0.00 0.00 55.95 55.56 3dxf s SER 173 Cb 0.27 0.84 -0.02 0.00 0.10 0.00 0.00 66.02 67.22 3dxf s SER 173 CO 0.03 -1.69 -0.04 -0.31 0.98 0.00 0.00 173.24 172.21 3dxf s TYR 174 N -2.10 0.36 -0.22 5.02 2.02 0.18 -0.16 117.35 122.45 3dxf s TYR 174 Ca 0.16 -0.46 -0.04 0.00 -0.37 0.00 0.00 57.07 56.37 3dxf s TYR 174 Cb -0.05 -0.24 -0.01 0.00 -0.40 0.00 0.00 41.96 41.27 3dxf s TYR 174 CO 0.12 -0.14 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.40 3dxf s LEU 175 N -1.31 2.90 -0.35 -1.29 1.02 0.29 0.37 118.68 120.31 3dxf s LEU 175 Ca -0.12 -0.38 -0.17 0.00 0.02 0.00 0.00 54.13 53.48 3dxf s LEU 175 Cb -0.09 -1.74 -0.01 0.00 0.02 0.00 0.00 46.19 44.38 3dxf s LEU 175 CO -0.00 -0.01 0.44 -0.22 0.02 0.00 0.00 176.35 176.57 3dxf s LEU 176 N 1.42 4.39 -0.44 1.79 2.96 0.10 -1.38 118.68 127.53 3dxf s LEU 176 Ca 0.05 -0.13 -0.17 0.00 -0.22 0.00 0.00 54.13 53.66 3dxf s LEU 176 Cb -0.14 -2.47 0.03 0.00 0.50 0.00 0.00 46.19 44.11 3dxf s LEU 176 CO -0.03 -0.41 0.46 -0.94 -1.32 0.00 0.00 176.35 174.11 3dxf s SER 177 N 1.74 6.20 -0.32 3.68 1.04 -1.26 -0.84 113.70 123.94 3dxf s SER 177 Ca 0.15 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 55.81 3dxf s SER 177 Cb -0.16 -2.23 0.14 0.00 0.10 0.00 0.00 66.02 63.87 3dxf s SER 177 CO 0.12 -0.64 0.30 -0.22 0.98 0.00 0.00 173.24 173.79 3dxf s LEU 178 N 2.16 0.01 -1.07 2.42 0.20 -1.26 -4.88 118.68 116.26 3dxf s LEU 178 Ca 0.12 -1.23 -0.07 0.00 0.69 0.00 0.00 54.13 53.63 3dxf s LEU 178 Cb -0.18 0.37 -0.08 0.00 -0.43 0.00 0.00 46.19 45.87 3dxf s LEU 178 CO 0.13 -0.34 2.49 -0.81 -0.29 0.00 0.00 176.35 177.53 3dxf n PRO 179 N 4.80 2.60 0.00 0.98 -0.04 -1.26 -4.40 135.00 137.68 3dxf n PRO 179 Ca 0.04 -1.64 0.11 0.00 -0.04 0.00 0.00 63.50 61.97 3dxf n PRO 179 Cb 0.45 -2.51 0.09 0.00 -0.04 0.00 0.00 33.50 31.49 3dxf n PRO 179 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3dxf n THR 180 N 3.81 0.00 -2.69 0.52 5.66 -1.26 -4.10 114.28 116.22 3dxf n THR 180 Ca 0.55 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 61.38 3dxf n THR 180 Cb 0.23 0.94 0.00 0.00 -1.55 0.00 0.00 70.33 69.94 3dxf n THR 180 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3dxf n GLY 181 N 1.42 2.44 0.57 1.09 0.00 -1.26 -2.38 105.19 107.07 3dxf n GLY 181 Ca 0.09 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.92 3dxf n GLY 181 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dxf n ASP 182 N 0.33 1.72 -4.64 1.61 5.68 -1.26 -4.41 116.55 115.57 3dxf n ASP 182 Ca 0.00 -1.69 -0.39 0.00 -0.50 0.00 0.00 54.79 52.21 3dxf n ASP 182 Cb 0.00 -0.09 -0.08 0.00 -1.14 0.00 0.00 41.12 39.81 3dxf n ASP 182 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3dxf s VAL 183 N -1.81 5.18 -0.21 2.12 1.01 -1.00 -4.92 120.40 120.76 3dxf s VAL 183 Ca 0.33 0.67 -0.28 0.00 0.00 0.00 0.00 61.98 62.70 3dxf s VAL 183 Cb 0.18 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 3dxf s VAL 183 CO 0.28 0.21 2.19 -2.84 0.00 0.00 0.00 175.10 174.93 3dxf s PRO 184 N 1.65 3.18 0.15 2.72 0.02 -1.26 -4.40 135.00 137.06 3dxf s PRO 184 Ca 0.18 2.02 -0.28 0.00 0.02 0.00 0.00 61.00 62.94 3dxf s PRO 184 Cb -0.15 -4.36 -0.07 0.00 0.02 0.00 0.00 34.50 29.94 3dxf s PRO 184 CO 0.09 -2.05 0.87 1.41 -0.33 0.00 0.00 177.00 176.98 3dxf s MET 185 N 6.24 4.67 0.54 5.54 1.75 0.72 -4.55 119.30 134.21 3dxf s MET 185 Ca 0.99 1.31 -0.19 0.00 -1.25 0.00 0.00 55.69 56.55 3dxf s MET 185 Cb -0.33 -3.32 -0.06 0.00 2.84 0.00 0.00 34.83 33.97 3dxf s MET 185 CO 0.35 0.41 1.09 -0.51 -0.65 0.00 0.00 175.02 175.71 3dxf s ASP 186 N -0.63 5.86 0.07 1.11 1.01 -1.26 -1.12 116.67 121.70 3dxf s ASP 186 Ca 0.41 2.04 -0.22 0.00 0.71 0.00 0.00 52.55 55.49 3dxf s ASP 186 Cb -0.23 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.18 3dxf s ASP 186 CO 0.28 -1.12 0.53 -0.83 0.21 0.00 0.00 175.17 174.24 3dxf s GLY 187 N -2.03 -0.45 0.14 0.21 0.00 -0.85 -4.16 107.32 100.18 3dxf s GLY 187 Ca 0.69 0.56 -0.15 0.00 0.00 0.00 0.00 44.72 45.82 3dxf s GLY 187 CO 0.27 0.25 0.39 -3.16 0.00 0.00 0.00 173.10 170.86 3dxf s MET 188 N -2.73 1.10 -0.11 2.90 0.23 -1.22 -0.92 119.30 118.55 3dxf s MET 188 Ca -0.04 -0.78 -0.30 0.00 -1.03 0.00 0.00 55.69 53.54 3dxf s MET 188 Cb -0.00 0.46 -0.01 0.00 -1.53 0.00 0.00 34.83 33.75 3dxf s MET 188 CO -0.04 -0.43 1.02 0.45 -2.03 0.00 0.00 175.02 173.99 3dxf s SER 189 N -2.83 7.22 0.53 -1.18 0.15 -1.26 -1.36 113.70 114.97 3dxf s SER 189 Ca 0.05 1.53 0.25 0.00 0.70 0.00 0.00 55.95 58.49 3dxf s SER 189 Cb 0.02 -2.56 1.48 0.00 -1.71 0.00 0.00 66.02 63.25 3dxf s SER 189 CO -0.10 -0.47 2.12 1.62 1.20 0.00 0.00 173.24 177.61 3dxf h VAL 190 N 5.12 0.68 0.00 4.45 3.04 -1.95 -0.48 116.25 127.11 3dxf h VAL 190 Ca -0.30 -0.36 -0.01 0.00 -1.01 0.00 0.00 66.70 65.02 3dxf h VAL 190 Cb 1.14 1.22 -0.00 0.00 -2.01 0.00 0.00 31.29 31.64 3dxf h VAL 190 CO 0.87 0.09 -0.03 0.28 -1.01 0.00 0.00 177.57 177.76 3dxf h SER 191 N 0.00 0.00 -0.20 3.17 0.02 -1.92 -2.32 113.55 112.30 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 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3dxf h SER 191 CO 0.01 0.03 0.00 0.47 -1.14 0.00 0.00 176.83 176.21 3dxf n ASP 192 N -3.63 1.45 -0.08 3.07 8.00 -0.19 -4.11 116.55 121.07 3dxf n ASP 192 Ca -0.03 -1.80 -0.12 0.00 0.71 0.00 0.00 54.79 53.55 3dxf n ASP 192 Cb 0.13 -0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 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 1.78 0.49 -0.08 0.64 5.85 -1.53 -3.35 115.31 119.10 3dxf h LEU 193 Ca 0.00 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.33 3dxf h LEU 193 Cb 0.40 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3dxf h LEU 193 CO 0.00 0.78 -0.05 0.61 -0.34 0.00 0.00 178.44 179.44 3dxf n GLY 194 N -0.05 -2.34 0.36 3.75 0.00 -1.26 -1.12 105.19 104.53 3dxf n GLY 194 Ca -0.04 0.50 0.13 0.00 0.00 0.00 0.00 46.02 46.61 3dxf n GLY 194 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dxf h PRO 195 N 0.00 0.35 -0.26 1.61 0.11 -1.87 0.13 132.00 132.07 3dxf h PRO 195 Ca 0.01 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.12 3dxf h PRO 195 Cb 0.03 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 3dxf h PRO 195 CO -0.08 0.23 0.13 0.28 -0.21 0.00 0.00 178.00 178.36 3dxf h VAL 196 N 0.37 0.99 0.00 3.15 2.07 -1.20 -1.21 116.25 120.41 3dxf h VAL 196 Ca 0.29 -0.09 -0.15 0.00 0.82 0.00 0.00 66.70 67.57 3dxf h VAL 196 Cb 0.64 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3dxf h VAL 196 CO -0.08 0.05 -0.72 0.58 0.02 0.00 0.00 177.57 177.42 3dxf h VAL 197 N 0.27 1.45 -0.66 2.57 2.07 -0.39 -2.72 116.25 118.84 3dxf h VAL 197 Ca 0.10 -2.54 -0.08 0.00 0.82 0.00 0.00 66.70 65.01 3dxf h VAL 197 Cb 0.03 2.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 3dxf h VAL 197 CO -0.07 0.71 0.09 0.25 0.02 0.00 0.00 177.57 178.56 3dxf h LEU 198 N 0.00 1.06 -0.80 2.57 5.85 -0.68 -0.50 115.31 122.82 3dxf h LEU 198 Ca -0.01 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 3dxf h LEU 198 Cb 1.34 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 3dxf h LEU 198 CO 0.09 1.06 0.14 0.28 -0.34 0.00 0.00 178.44 179.68 3dxf h SER 199 N 1.03 0.99 -0.08 1.25 0.02 -1.07 -1.69 113.55 114.00 3dxf h SER 199 Ca 0.20 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3dxf h SER 199 Cb 0.47 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 3dxf h SER 199 CO 0.02 0.96 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.59 3dxf h LEU 200 N 0.99 0.15 -2.08 5.07 3.38 -1.30 -2.59 115.31 118.93 3dxf h LEU 200 Ca 0.21 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.92 3dxf h LEU 200 Cb 0.37 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3dxf h LEU 200 CO 0.00 0.45 0.23 -0.07 0.09 0.00 0.00 178.44 179.15 3dxf h LEU 201 N -0.15 0.00 0.00 1.67 4.07 -0.89 -2.06 115.31 117.95 3dxf h LEU 201 Ca 0.02 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.79 3dxf h LEU 201 Cb 0.38 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.09 3dxf h LEU 201 CO 0.01 0.00 -1.24 0.11 -1.08 0.00 0.00 178.44 176.24 3dxf h LYS 202 N 0.00 0.00 -1.94 1.13 1.57 -1.21 -3.38 116.57 112.74 3dxf h LYS 202 Ca 0.13 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.36 3dxf h LYS 202 Cb 0.59 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.48 3dxf h LYS 202 CO -0.00 0.48 -0.82 -1.33 -0.57 0.00 0.00 179.45 177.21 3dxf n MET 203 N -3.06 2.68 -0.28 3.15 2.81 -0.85 -4.92 117.12 116.65 3dxf n MET 203 Ca -0.07 -4.36 0.09 0.00 -1.81 0.00 0.00 57.70 51.55 3dxf n MET 203 Cb 0.88 -2.05 0.24 0.00 -0.71 0.00 0.00 33.22 31.57 3dxf n MET 203 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 3dxf h PRO 204 N 2.89 0.32 -0.41 0.03 0.11 -1.59 -1.79 132.00 131.56 3dxf h PRO 204 Ca 0.14 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.35 3dxf h PRO 204 Cb 0.75 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 3dxf h PRO 204 CO 0.74 0.21 0.40 0.93 -0.21 0.00 0.00 178.00 180.07 3dxf h GLU 205 N 0.33 0.00 0.04 1.05 3.07 -1.91 -2.30 114.58 114.85 3dxf h GLU 205 Ca 0.48 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 59.02 3dxf h GLU 205 Cb 0.87 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.74 3dxf h GLU 205 CO -0.53 0.00 -1.82 1.17 -1.40 0.00 0.00 179.01 176.43 3dxf n LYS 206 N -3.85 0.68 0.00 2.33 4.81 -0.67 -4.56 118.16 116.89 3dxf n LYS 206 Ca 0.07 0.28 0.05 0.00 -0.87 0.00 0.00 58.31 57.85 3dxf n LYS 206 Cb 0.58 -1.76 -0.04 0.00 0.02 0.00 0.00 35.03 33.84 3dxf n LYS 206 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3dxf n TYR 207 N -3.19 0.00 -1.62 5.64 4.02 -0.97 -5.02 117.16 116.02 3dxf n TYR 207 Ca -0.22 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.27 3dxf n TYR 207 Cb 1.05 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 40.40 3dxf n TYR 207 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3dxf n VAL 208 N -0.82 2.86 -0.47 -0.72 0.24 -0.91 -2.35 118.33 116.17 3dxf n VAL 208 Ca 0.03 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 3dxf n VAL 208 Cb 0.20 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.40 3dxf n VAL 208 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dxf n GLY 209 N 1.21 1.61 3.75 7.63 0.00 -0.45 -4.97 105.19 113.97 3dxf n GLY 209 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.16 2.82 -0.33 1.61 -0.21 -0.99 -4.98 119.66 117.41 3dxf s GLN 210 Ca 0.00 -0.69 -0.01 0.00 0.02 0.00 0.00 55.36 54.69 3dxf s GLN 210 Cb 0.00 -2.70 0.08 0.00 1.00 0.00 0.00 33.01 31.39 3dxf s GLN 210 CO 0.00 0.58 0.05 -0.80 -2.12 0.00 0.00 175.29 173.00 3dxf s ASN 211 N -2.20 4.92 -0.46 5.90 0.01 -1.26 -0.99 114.94 120.87 3dxf s ASN 211 Ca 0.27 -1.66 -0.18 0.00 -0.71 0.00 0.00 52.86 50.58 3dxf s ASN 211 Cb -0.12 -1.71 0.04 0.00 0.41 0.00 0.00 41.25 39.87 3dxf s ASN 211 CO 0.19 -0.35 0.51 -0.63 -1.51 0.00 0.00 177.10 175.31 3dxf s ILE 212 N 1.14 5.01 -0.30 0.60 1.01 0.02 -4.97 121.20 123.71 3dxf s ILE 212 Ca 0.01 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 59.93 3dxf s ILE 212 Cb -0.20 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.13 3dxf s ILE 212 CO -0.04 -0.58 1.08 -0.83 0.00 0.00 0.00 174.94 174.58 3dxf s GLY 213 N 2.20 1.57 0.00 6.18 0.00 -1.25 -1.60 107.32 114.43 3dxf s GLY 213 Ca 0.13 -0.00 -0.23 0.00 0.00 0.00 0.00 44.72 44.62 3dxf s GLY 213 CO 0.13 2.28 0.68 1.08 0.00 0.00 0.00 173.10 177.26 3dxf s LEU 214 N 3.61 4.41 -0.18 0.66 1.43 -0.19 0.11 118.68 128.53 3dxf s LEU 214 Ca 0.46 1.28 -0.28 0.00 -1.03 0.00 0.00 54.13 54.56 3dxf s LEU 214 Cb -0.13 -3.07 0.08 0.00 0.03 0.00 0.00 46.19 43.10 3dxf s LEU 214 CO 0.14 0.03 0.76 -0.55 0.23 0.00 0.00 176.35 176.96 3dxf s SER 215 N 0.03 -0.65 -0.00 2.29 0.15 -1.26 -3.88 113.70 110.37 3dxf s SER 215 Ca 0.35 1.02 0.08 0.00 0.70 0.00 0.00 55.95 58.10 3dxf s SER 215 Cb -0.19 0.96 -0.10 0.00 -1.71 0.00 0.00 66.02 64.97 3dxf s SER 215 CO 0.20 -0.38 0.27 1.07 1.20 0.00 0.00 173.24 175.59 3dxf n THR 216 N 1.80 0.00 -3.55 6.45 5.66 -0.09 -3.66 114.28 120.89 3dxf n THR 216 Ca -0.15 -0.26 -0.07 0.00 -3.05 0.00 0.00 64.05 60.51 3dxf n THR 216 Cb 0.56 0.70 -0.03 0.00 -1.55 0.00 0.00 70.33 70.02 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 -2.44 1.46 0.04 0.00 0.52 -1.26 -2.00 118.95 115.27 3dxf s ARG 218 Ca 0.05 -1.28 0.07 0.00 -0.52 0.00 0.00 55.73 54.05 3dxf s ARG 218 Cb -0.01 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.77 3dxf s ARG 218 CO -0.06 -0.76 -0.19 -1.01 0.02 0.00 0.00 175.30 173.30 3dxf s HIS 219 N 1.28 1.69 0.72 -0.53 3.76 -0.28 -4.70 115.29 117.23 3dxf s HIS 219 Ca 0.01 -0.36 -0.11 0.00 -0.15 0.00 0.00 55.06 54.45 3dxf s HIS 219 Cb -0.19 -1.01 0.02 0.00 1.11 0.00 0.00 32.58 32.51 3dxf s HIS 219 CO -0.10 0.07 1.08 0.95 -0.85 0.00 0.00 174.74 175.89 3dxf s THR 220 N -0.78 3.67 0.49 1.30 -4.23 -1.26 -0.20 115.64 114.62 3dxf s THR 220 Ca 0.06 0.54 0.14 0.00 -1.18 0.00 0.00 61.69 61.26 3dxf s THR 220 Cb -0.08 -3.38 0.29 0.00 1.34 0.00 0.00 72.50 70.66 3dxf s THR 220 CO 0.01 -0.71 2.10 0.00 -0.54 0.00 0.00 174.62 175.49 3dxf h ALA 221 N -0.77 1.97 -0.26 3.99 0.00 -1.83 -0.28 119.26 122.08 3dxf h ALA 221 Ca -0.45 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.46 3dxf h ALA 221 Cb 1.24 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3dxf h ALA 221 CO 0.60 -0.00 0.15 1.49 0.00 0.00 0.00 179.25 181.48 3dxf h GLU 222 N 0.18 0.29 -0.41 0.00 4.81 -1.93 0.83 114.58 118.36 3dxf h GLU 222 Ca 0.08 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 3dxf h GLU 222 Cb 0.12 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3dxf h GLU 222 CO -0.01 0.19 -0.20 0.93 -0.73 0.00 0.00 179.01 179.19 3dxf h GLU 223 N 0.30 0.80 -0.19 1.92 5.08 -1.55 -1.38 114.58 119.56 3dxf h GLU 223 Ca 0.11 -0.31 0.04 0.00 -1.00 0.00 0.00 59.36 58.19 3dxf h GLU 223 Cb 0.01 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3dxf h GLU 223 CO -0.06 0.93 -0.05 1.88 -1.00 0.00 0.00 179.01 180.72 3dxf h TYR 224 N 0.70 -0.10 -0.59 4.33 -1.99 -0.85 0.33 116.97 118.80 3dxf h TYR 224 Ca 0.10 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.79 3dxf h TYR 224 Cb 0.71 0.07 -0.03 0.00 2.00 0.00 0.00 36.73 39.49 3dxf h TYR 224 CO 0.04 -0.08 0.11 0.00 -0.00 0.00 0.00 178.16 178.23 3dxf h ALA 225 N 1.19 1.09 -0.43 3.88 0.00 -0.69 -0.09 119.26 124.21 3dxf h ALA 225 Ca 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3dxf h ALA 225 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3dxf h ALA 225 CO -0.20 0.60 0.17 0.00 0.00 0.00 0.00 179.25 179.82 3dxf h ALA 226 N 1.23 0.55 -0.19 0.00 0.00 -1.01 0.05 119.26 119.90 3dxf h ALA 226 Ca 0.19 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3dxf h ALA 226 Cb 0.37 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3dxf h ALA 226 CO 0.01 0.15 -0.57 -0.07 0.00 0.00 0.00 179.25 178.77 3dxf h LEU 227 N 0.54 0.65 -0.80 0.00 3.38 -0.68 -2.10 115.31 116.31 3dxf h LEU 227 Ca 0.14 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3dxf h LEU 227 Cb 0.18 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3dxf h LEU 227 CO -0.01 1.08 0.53 -0.07 0.09 0.00 0.00 178.44 180.06 3dxf h LEU 228 N 0.44 0.92 -1.09 1.67 3.38 -0.96 -2.48 115.31 117.20 3dxf h LEU 228 Ca 0.00 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3dxf h LEU 228 Cb 1.12 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 3dxf h LEU 228 CO 0.11 0.67 0.62 0.74 0.09 0.00 0.00 178.44 180.67 3dxf h THR 229 N 1.09 1.24 -0.49 0.22 2.02 -0.75 -1.16 112.91 115.07 3dxf h THR 229 Ca 0.29 -0.43 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 3dxf h THR 229 Cb -0.12 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.14 3dxf h THR 229 CO -0.06 0.23 -0.09 0.50 0.37 0.00 0.00 175.52 176.46 3dxf h LYS 230 N 1.26 0.94 0.00 6.66 3.64 -1.01 -2.73 116.57 125.32 3dxf h LYS 230 Ca 0.34 -0.35 -0.38 0.00 -1.27 0.00 0.00 60.65 59.00 3dxf h LYS 230 Cb -0.14 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.55 3dxf h LYS 230 CO -0.08 1.00 -2.44 0.72 -2.27 0.00 0.00 179.45 176.39 3dxf n HIS 231 N -4.23 0.00 0.21 1.91 8.25 -0.97 -4.12 115.22 116.28 3dxf n HIS 231 Ca 0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.57 3dxf n HIS 231 Cb 0.38 -0.99 0.30 0.00 1.12 0.00 0.00 29.99 30.79 3dxf n HIS 231 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3dxf h THR 232 N 0.00 0.31 -0.08 1.59 1.35 -1.39 -3.46 112.91 111.23 3dxf h THR 232 Ca -0.57 -1.21 -0.04 0.00 -0.55 0.00 0.00 66.41 64.05 3dxf h THR 232 Cb 2.01 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 70.37 3dxf h THR 232 CO -0.05 0.16 -0.03 0.54 -0.25 0.00 0.00 175.52 175.89 3dxf n ARG 233 N -3.19 -0.78 -4.17 4.72 1.74 -1.03 -5.01 116.66 108.95 3dxf n ARG 233 Ca 0.02 0.33 -0.28 0.00 -0.77 0.00 0.00 57.85 57.14 3dxf n ARG 233 Cb 0.51 -3.99 -0.08 0.00 -1.02 0.00 0.00 32.46 27.88 3dxf n ARG 233 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3dxf s LYS 234 N -1.21 2.46 -0.30 5.56 -0.14 -1.25 -5.04 119.74 119.83 3dxf s LYS 234 Ca 0.00 -0.97 -0.29 0.00 -1.36 0.00 0.00 55.97 53.35 3dxf s LYS 234 Cb 0.00 -2.45 -0.01 0.00 -1.68 0.00 0.00 37.83 33.70 3dxf s LYS 234 CO 0.00 0.50 1.44 0.08 -0.76 0.00 0.00 175.35 176.61 3dxf s VAL 235 N -1.49 3.93 -0.23 3.17 1.01 -1.26 -4.19 120.40 121.34 3dxf s VAL 235 Ca 0.26 1.03 0.02 0.00 0.00 0.00 0.00 61.98 63.30 3dxf s VAL 235 Cb -0.11 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.31 3dxf s VAL 235 CO 0.18 -0.48 -0.14 -0.69 0.00 0.00 0.00 175.10 173.98 3dxf s VAL 236 N 4.93 2.11 0.01 2.92 1.01 -1.26 0.48 120.40 130.60 3dxf s VAL 236 Ca 0.63 -1.39 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 3dxf s VAL 236 Cb -0.19 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 3dxf s VAL 236 CO 0.27 0.16 0.31 -1.00 0.00 0.00 0.00 175.10 174.84 3dxf s HIS 237 N 1.17 3.61 0.05 5.22 3.76 0.16 -4.42 115.29 124.84 3dxf s HIS 237 Ca -0.04 0.71 -0.31 0.00 -0.15 0.00 0.00 55.06 55.27 3dxf s HIS 237 Cb -0.18 -2.09 -0.06 0.00 1.11 0.00 0.00 32.58 31.36 3dxf s HIS 237 CO -0.08 0.61 1.37 0.34 -0.85 0.00 0.00 174.74 176.13 3dxf s ASP 238 N -1.52 6.87 0.00 1.40 2.15 -1.26 0.01 116.67 124.32 3dxf s ASP 238 Ca 0.27 2.17 0.29 0.00 0.43 0.00 0.00 52.55 55.70 3dxf s ASP 238 Cb -0.14 -2.57 1.19 0.00 -0.30 0.00 0.00 42.92 41.10 3dxf s ASP 238 CO 0.15 -0.66 1.86 0.00 -0.17 0.00 0.00 175.17 176.34 3dxf n ALA 239 N 4.71 2.68 -3.55 3.66 0.00 -0.02 -4.85 120.51 123.15 3dxf n ALA 239 Ca 0.12 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 3dxf n ALA 239 Cb 0.44 -1.38 0.08 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.27 -7.26 -2.45 0.00 5.02 -1.26 -4.99 118.16 105.95 3dxf n LYS 240 Ca 0.11 0.82 -0.32 0.00 -2.02 0.00 0.00 58.31 56.90 3dxf n LYS 240 Cb 0.30 -5.84 -0.03 0.00 -0.02 0.00 0.00 35.03 29.44 3dxf n LYS 240 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3dxf s MET 241 N -5.96 3.92 0.18 1.97 -1.94 -1.26 -5.04 119.30 111.17 3dxf s MET 241 Ca 0.35 0.88 0.06 0.00 -1.71 0.00 0.00 55.69 55.27 3dxf s MET 241 Cb -0.16 -2.17 -0.05 0.00 2.01 0.00 0.00 34.83 34.47 3dxf s MET 241 CO 0.74 -0.24 -0.13 0.95 -0.01 0.00 0.00 175.02 176.33 3dxf s THR 242 N -2.60 1.48 0.30 2.05 -4.23 -1.26 -4.07 115.64 107.31 3dxf s THR 242 Ca 0.58 -2.14 0.06 0.00 -1.18 0.00 0.00 61.69 59.02 3dxf s THR 242 Cb -0.10 -1.95 0.30 0.00 1.34 0.00 0.00 72.50 72.09 3dxf s THR 242 CO 0.32 -0.66 1.74 -0.65 -0.54 0.00 0.00 174.62 174.83 3dxf h PRO 243 N 2.68 0.61 0.00 3.99 0.11 -1.86 -1.54 132.00 135.98 3dxf h PRO 243 Ca -0.37 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 3dxf h PRO 243 Cb 1.21 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3dxf h PRO 243 CO 0.62 0.40 -0.13 0.93 -0.21 0.00 0.00 178.00 179.62 3dxf h GLU 244 N 0.63 0.00 -0.33 1.05 3.07 -1.93 -1.23 114.58 115.84 3dxf h GLU 244 Ca 0.59 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.34 3dxf h GLU 244 Cb 1.03 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 3dxf h GLU 244 CO -0.44 0.13 -0.24 -0.44 -1.40 0.00 0.00 179.01 176.61 3dxf h ASP 245 N 0.00 0.78 -0.51 1.42 3.32 -1.68 -3.23 116.42 116.51 3dxf h ASP 245 Ca -0.00 -0.44 -0.12 0.00 0.02 0.00 0.00 57.03 56.49 3dxf h ASP 245 Cb 0.25 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3dxf h ASP 245 CO 0.02 1.05 -0.14 1.88 -1.72 0.00 0.00 179.24 180.33 3dxf h TYR 246 N 0.51 1.14 0.00 4.55 0.05 -1.24 -3.23 116.97 118.75 3dxf h TYR 246 Ca 0.06 -0.25 -0.20 0.00 0.05 0.00 0.00 58.73 58.40 3dxf h TYR 246 Cb 0.80 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.23 3dxf h TYR 246 CO 0.07 1.07 0.58 0.39 -1.05 0.00 0.00 178.16 179.22 3dxf n GLU 247 N -4.13 1.58 0.00 4.88 1.02 -0.54 -2.87 120.64 120.58 3dxf n GLU 247 Ca 0.01 -0.88 0.00 0.00 -0.02 0.00 0.00 57.16 56.27 3dxf n GLU 247 Cb 0.42 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 3dxf n GLU 247 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3dxf n LYS 248 N 2.98 1.75 -2.34 3.49 5.02 -1.22 -4.97 118.16 122.88 3dxf n LYS 248 Ca 0.34 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.37 3dxf n LYS 248 Cb 0.51 -0.15 0.14 0.00 -0.02 0.00 0.00 35.03 35.51 3dxf n LYS 248 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dxf s LEU 249 N 0.00 2.87 0.00 -0.35 1.43 -1.14 -5.18 118.68 116.31 3dxf s LEU 249 Ca 0.00 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3dxf s LEU 249 Cb 0.00 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3dxf s LEU 249 CO 0.00 -2.25 0.00 0.61 0.23 0.00 0.00 176.35 174.94 3dxf n GLY 250 N -3.22 1.17 0.00 -3.19 0.00 -1.26 -5.15 105.19 93.55 3dxf n GLY 250 Ca 0.16 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3dxf n GLY 250 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxf n ARG 255 N 0.00 0.00 0.04 1.61 1.74 -1.26 -5.32 116.66 113.46 3dxf n ARG 255 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 3dxf n ARG 255 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.48 3dxf n ARG 255 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3dxf h ASP 256 N 0.90 0.54 -0.55 0.55 3.32 -1.99 -2.72 116.42 116.46 3dxf h ASP 256 Ca 0.00 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.62 3dxf h ASP 256 Cb 0.00 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3dxf h ASP 256 CO 0.00 1.06 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.48 3dxf h LEU 257 N 0.33 1.00 -0.39 1.55 3.38 -1.99 -1.00 115.31 118.20 3dxf h LEU 257 Ca -0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3dxf h LEU 257 Cb 1.24 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3dxf h LEU 257 CO 0.12 1.06 0.21 0.00 0.09 0.00 0.00 178.44 179.92 3dxf h ALA 258 N 1.03 0.50 -0.18 1.53 0.00 -1.84 -1.47 119.26 118.83 3dxf h ALA 258 Ca 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3dxf h ALA 258 Cb 0.57 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3dxf h ALA 258 CO 0.03 0.03 -0.08 -0.91 0.00 0.00 0.00 179.25 178.32 3dxf h ASN 259 N 0.50 0.25 -0.44 0.00 2.35 -1.40 -0.27 115.58 116.56 3dxf h ASN 259 Ca 0.14 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3dxf h ASN 259 Cb 0.06 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3dxf h ASN 259 CO -0.02 0.37 0.24 -0.03 -1.65 0.00 0.00 177.43 176.34 3dxf h MET 260 N 0.26 0.61 -0.07 0.81 4.05 -0.62 0.78 114.93 120.75 3dxf h MET 260 Ca 0.06 -0.07 -0.19 0.00 -0.28 0.00 0.00 59.70 59.21 3dxf h MET 260 Cb 0.32 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.99 3dxf h MET 260 CO 0.02 0.49 -0.77 0.74 0.23 0.00 0.00 176.91 177.62 3dxf h PHE 261 N 0.57 0.61 -0.80 1.39 0.04 -1.05 -1.74 116.94 115.96 3dxf h PHE 261 Ca 0.15 -0.28 0.05 0.00 2.80 0.00 0.00 57.97 60.69 3dxf h PHE 261 Cb 0.06 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.06 3dxf h PHE 261 CO -0.02 1.05 0.50 0.00 -0.60 0.00 0.00 178.31 179.24 3dxf h ARG 262 N 0.29 0.91 -0.16 1.51 3.08 -0.91 -1.23 114.38 117.86 3dxf h ARG 262 Ca -0.04 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 3dxf h ARG 262 Cb 1.36 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 3dxf h ARG 262 CO 0.13 0.60 -0.20 0.35 -1.07 0.00 0.00 179.97 179.78 3dxf h PHE 263 N 0.94 0.30 -0.09 3.04 3.57 -0.62 -2.19 116.94 121.90 3dxf h PHE 263 Ca 0.34 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.71 3dxf h PHE 263 Cb 0.09 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3dxf h PHE 263 CO -0.04 0.47 -0.30 1.88 -2.23 0.00 0.00 178.31 178.10 3dxf h TYR 264 N 0.26 0.18 0.00 0.41 0.05 -0.50 -2.68 116.97 114.69 3dxf h TYR 264 Ca 0.05 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3dxf h TYR 264 Cb 0.51 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.21 3dxf h TYR 264 CO 0.01 0.46 0.00 0.00 -1.05 0.00 0.00 178.16 177.58 3dxf h ALA 265 N 1.55 1.00 -0.33 3.88 0.00 -0.60 -1.30 119.26 123.45 3dxf h ALA 265 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dxf h ALA 265 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3dxf h ALA 265 CO 0.04 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.57 3dxf n LEU 266 N -2.99 2.93 -3.37 0.00 4.77 -1.01 -4.99 117.00 112.34 3dxf n LEU 266 Ca 0.01 -1.48 -0.22 0.00 -0.03 0.00 0.00 56.01 54.30 3dxf n LEU 266 Cb 0.31 -0.47 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 3dxf n LEU 266 CO 0.27 0.47 -0.09 0.54 -1.33 0.00 0.00 177.39 177.25 3dxf n ARG 267 N 0.44 -1.82 -0.88 3.23 1.74 -0.49 -4.95 116.66 113.92 3dxf n ARG 267 Ca 0.14 1.41 -0.30 0.00 -0.77 0.00 0.00 57.85 58.33 3dxf n ARG 267 Cb 0.58 -3.56 0.17 0.00 -1.02 0.00 0.00 32.46 28.63 3dxf n ARG 267 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3dxf s PRO 268 N -3.27 0.86 -0.55 5.56 0.02 -1.26 -4.88 135.00 131.48 3dxf s PRO 268 Ca 0.18 1.16 -0.27 0.00 0.02 0.00 0.00 61.00 62.10 3dxf s PRO 268 Cb -0.03 -1.74 -0.03 0.00 0.02 0.00 0.00 34.50 32.72 3dxf s PRO 268 CO 0.84 -2.61 1.98 0.34 -0.33 0.00 0.00 177.00 177.21 3dxf s ASP 269 N -2.94 5.16 -0.06 2.53 2.15 -1.26 -4.94 116.67 117.31 3dxf s ASP 269 Ca 0.65 0.64 -0.01 0.00 0.43 0.00 0.00 52.55 54.27 3dxf s ASP 269 Cb -0.21 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 39.91 3dxf s ASP 269 CO 0.59 -2.40 -0.01 -0.13 -0.17 0.00 0.00 175.17 173.04 3dxf s ARG 270 N 7.13 0.67 -0.46 4.34 1.81 -1.26 -3.82 118.95 127.36 3dxf s ARG 270 Ca 0.76 0.04 -0.03 0.00 -1.72 0.00 0.00 55.73 54.78 3dxf s ARG 270 Cb -0.15 -0.92 0.12 0.00 -0.45 0.00 0.00 34.95 33.55 3dxf s ARG 270 CO 0.24 -0.24 0.26 0.34 -0.68 0.00 0.00 175.30 175.22 3dxf s ASP 271 N 1.64 5.26 0.07 0.23 -1.08 0.30 -4.84 116.67 118.25 3dxf s ASP 271 Ca 0.00 -2.23 -0.23 0.00 -0.52 0.00 0.00 52.55 49.58 3dxf s ASP 271 Cb -0.13 -1.84 -0.14 0.00 -1.46 0.00 0.00 42.92 39.35 3dxf s ASP 271 CO -0.04 -0.51 1.61 0.40 0.52 0.00 0.00 175.17 177.15 3dxf h ILE 272 N 6.10 1.14 -0.71 4.11 2.04 -1.82 0.14 117.51 128.50 3dxf h ILE 272 Ca -0.11 -0.41 0.09 0.00 1.00 0.00 0.00 64.86 65.44 3dxf h ILE 272 Cb 1.02 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 38.32 3dxf h ILE 272 CO 0.71 0.12 0.36 -0.33 0.00 0.00 0.00 178.15 179.00 3dxf h GLU 273 N -0.04 0.60 -0.20 2.37 3.07 -1.92 0.10 114.58 118.56 3dxf h GLU 273 Ca 0.02 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.66 3dxf h GLU 273 Cb 0.16 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 27.94 3dxf h GLU 273 CO -0.00 0.40 -0.60 1.25 -1.40 0.00 0.00 179.01 178.65 3dxf h LEU 274 N 0.62 0.88 -0.46 1.33 6.46 -1.88 -2.26 115.31 119.99 3dxf h LEU 274 Ca 0.34 -0.59 0.07 0.00 -0.12 0.00 0.00 57.88 57.59 3dxf h LEU 274 Cb 0.34 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 39.96 3dxf h LEU 274 CO -0.26 1.31 0.13 0.74 -0.62 0.00 0.00 178.44 179.75 3dxf h THR 275 N 0.49 0.81 0.00 1.05 2.02 0.10 0.35 112.91 117.73 3dxf h THR 275 Ca -0.02 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 3dxf h THR 275 Cb 1.22 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 3dxf h THR 275 CO 0.13 0.05 -0.22 -0.07 0.37 0.00 0.00 175.52 175.78 3dxf h LEU 276 N 0.29 0.00 -0.88 2.58 3.38 -0.85 0.21 115.31 120.04 3dxf h LEU 276 Ca 0.22 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 3dxf h LEU 276 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3dxf h LEU 276 CO -0.25 0.22 -0.46 0.03 0.09 0.00 0.00 178.44 178.06 3dxf h ARG 277 N 0.00 0.00 0.01 1.13 3.08 -0.66 -2.08 114.38 115.87 3dxf h ARG 277 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 3dxf h ARG 277 Cb 0.77 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 3dxf h ARG 277 CO 0.03 0.46 -1.54 -0.07 -1.07 0.00 0.00 179.97 177.78 3dxf h LEU 278 N 0.00 0.04 -6.61 3.04 3.38 0.03 -3.42 115.31 111.77 3dxf h LEU 278 Ca -0.00 -0.07 -0.51 0.00 0.09 0.00 0.00 57.88 57.38 3dxf h LEU 278 Cb 0.96 -0.01 -0.38 0.00 0.09 0.00 0.00 40.66 41.32 3dxf h LEU 278 CO 0.06 1.06 -0.79 0.21 0.09 0.00 0.00 178.44 179.07 3dxf s ASN 279 N -6.33 2.79 0.51 -0.43 2.47 0.64 -3.70 114.94 110.89 3dxf s ASN 279 Ca -0.04 -1.68 0.20 0.00 0.42 0.00 0.00 52.86 51.76 3dxf s ASN 279 Cb 0.08 -0.17 1.29 0.00 -1.45 0.00 0.00 41.25 41.01 3dxf s ASN 279 CO 0.82 -0.35 2.05 -0.65 -3.72 0.00 0.00 177.10 175.25 3dxf h PRO 280 N 7.59 0.06 -0.08 0.43 0.11 -1.62 -1.84 132.00 136.64 3dxf h PRO 280 Ca -0.04 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3dxf h PRO 280 Cb 1.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3dxf h PRO 280 CO 0.32 0.04 0.00 1.63 -0.21 0.00 0.00 178.00 179.78 3dxf n LYS 281 N -4.45 1.49 -1.97 1.05 5.02 -1.26 -4.89 118.16 113.14 3dxf n LYS 281 Ca 0.05 -0.73 -0.42 0.00 -2.02 0.00 0.00 58.31 55.20 3dxf n LYS 281 Cb 0.39 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 3dxf n LYS 281 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dxf s ALA 282 N -1.90 3.71 0.00 7.82 0.00 -0.69 -4.96 121.76 125.73 3dxf s ALA 282 Ca 0.34 1.24 -0.21 0.00 0.00 0.00 0.00 51.96 53.33 3dxf s ALA 282 Cb 0.18 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 3dxf s ALA 282 CO 0.28 -0.92 0.63 -0.51 0.00 0.00 0.00 175.76 175.25 3dxf s LEU 283 N 1.89 4.42 1.05 0.00 1.43 -1.26 -5.03 118.68 121.18 3dxf s LEU 283 Ca 0.71 1.22 -0.13 0.00 -1.03 0.00 0.00 54.13 54.90 3dxf s LEU 283 Cb -0.41 -2.99 0.22 0.00 0.03 0.00 0.00 46.19 43.04 3dxf s LEU 283 CO 0.31 0.08 1.08 0.28 0.23 0.00 0.00 176.35 178.33 3dxf s THR 284 N -0.14 1.97 0.14 5.49 -1.32 -1.26 -4.42 115.64 116.11 3dxf s THR 284 Ca 0.33 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.63 3dxf s THR 284 Cb -0.19 -2.42 -0.01 0.00 -1.51 0.00 0.00 72.50 68.37 3dxf s THR 284 CO 0.18 0.00 1.76 0.25 -2.21 0.00 0.00 174.62 174.60 3dxf h LEU 285 N -2.10 0.15 -0.05 9.08 5.85 -1.91 0.16 115.31 126.48 3dxf h LEU 285 Ca -0.56 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.22 3dxf h LEU 285 Cb 1.33 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.32 3dxf h LEU 285 CO 0.55 0.12 -0.24 -0.78 -0.34 0.00 0.00 178.44 177.75 3dxf h ASP 286 N 0.25 -0.74 -0.73 1.25 3.58 -1.96 0.12 116.42 118.19 3dxf h ASP 286 Ca 0.13 0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.69 3dxf h ASP 286 Cb 0.08 0.31 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 3dxf h ASP 286 CO -0.11 -0.31 0.48 1.56 -2.88 0.00 0.00 179.24 177.98 3dxf h GLN 287 N -0.35 0.96 -0.45 0.28 4.20 -1.88 -1.64 115.11 116.23 3dxf h GLN 287 Ca 0.08 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 3dxf h GLN 287 Cb 0.46 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3dxf h GLN 287 CO -0.25 0.63 -0.11 2.35 -0.67 0.00 0.00 178.83 180.79 3dxf h TRP 288 N 0.99 0.97 -0.14 2.96 7.01 -0.26 -2.34 115.95 125.13 3dxf h TRP 288 Ca 0.27 -0.21 -0.10 0.00 2.11 0.00 0.00 58.89 60.96 3dxf h TRP 288 Cb -0.10 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.71 3dxf h TRP 288 CO -0.02 0.96 -0.37 -0.07 -2.79 0.00 0.00 178.44 176.14 3dxf h LEU 289 N 0.70 0.31 -0.41 0.65 3.38 -0.65 0.17 115.31 119.45 3dxf h LEU 289 Ca 0.11 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3dxf h LEU 289 Cb 0.65 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3dxf h LEU 289 CO 0.04 0.66 0.14 -0.08 0.09 0.00 0.00 178.44 179.30 3dxf h GLU 290 N 0.26 0.63 0.00 1.13 4.81 -1.16 -1.08 114.58 119.17 3dxf h GLU 290 Ca 0.03 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 58.99 3dxf h GLU 290 Cb 0.78 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 3dxf h GLU 290 CO 0.06 0.61 -0.64 1.96 -0.73 0.00 0.00 179.01 180.27 3dxf h GLN 291 N 0.52 0.00 -0.27 1.92 4.20 -1.21 -3.35 115.11 116.91 3dxf h GLN 291 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3dxf h GLN 291 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3dxf h GLN 291 CO -0.01 0.64 0.00 0.72 -0.67 0.00 0.00 178.83 179.52 3dxf n HIS 292 N -3.48 0.77 -2.20 2.96 8.25 0.57 -4.94 115.22 117.15 3dxf n HIS 292 Ca 0.00 -0.77 -0.39 0.00 -0.26 0.00 0.00 57.72 56.30 3dxf n HIS 292 Cb 0.71 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.57 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 -2.30 4.18 0.00 -0.41 -2.85 -0.42 -2.94 119.74 114.99 3dxf s LYS 293 Ca 0.36 2.02 0.00 0.00 -1.00 0.00 0.00 55.97 57.35 3dxf s LYS 293 Cb 0.27 -2.86 0.00 0.00 -2.06 0.00 0.00 37.83 33.18 3dxf s LYS 293 CO 0.10 -0.27 0.00 0.41 0.10 0.00 0.00 175.35 175.69 3dxf n GLY 294 N 0.75 2.67 0.16 0.59 0.00 -1.26 -4.82 105.19 103.28 3dxf n GLY 294 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 0.31 0.00 0.00 1.61 3.32 -1.92 -3.56 116.42 116.18 3dxf h ASP 295 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dxf h ASP 295 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3dxf h ASP 295 CO 0.00 0.52 0.00 0.49 -1.72 0.00 0.00 179.24 178.53