#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otw s MET 1 N 0.00 1.76 -0.03 -1.40 0.23 -1.26 -5.16 119.30 113.45 1otw s MET 1 Ca 0.00 -1.92 -0.10 0.00 -1.03 0.00 0.00 55.69 52.64 1otw s MET 1 Cb 0.00 -1.54 0.01 0.00 -1.53 0.00 0.00 34.83 31.78 1otw s MET 1 CO 0.00 0.09 0.22 -1.17 -2.03 0.00 0.00 175.02 172.12 1otw s LEU 2 N -3.58 1.21 -0.22 0.18 2.96 -1.26 -5.14 118.68 112.84 1otw s LEU 2 Ca 0.32 0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 54.22 1otw s LEU 2 Cb 0.04 0.89 -0.05 0.00 0.50 0.00 0.00 46.19 47.57 1otw s LEU 2 CO 0.16 -0.31 0.13 -0.63 -1.32 0.00 0.00 176.35 174.37 1otw s ILE 3 N -0.91 5.20 -0.07 6.68 1.01 -1.26 -4.97 121.20 126.88 1otw s ILE 3 Ca -0.10 0.12 0.11 0.00 0.00 0.00 0.00 60.65 60.78 1otw s ILE 3 Cb -0.05 -3.39 -0.16 0.00 0.01 0.00 0.00 42.46 38.86 1otw s ILE 3 CO 0.02 0.40 0.14 0.41 0.00 0.00 0.00 174.94 175.91 1otw n THR 4 N 3.93 0.45 -3.92 2.92 -1.04 -1.26 -4.93 114.28 110.43 1otw n THR 4 Ca -0.16 -0.40 -0.30 0.00 -2.04 0.00 0.00 64.05 61.15 1otw n THR 4 Cb 0.52 -0.30 -0.15 0.00 -1.82 0.00 0.00 70.33 68.58 1otw n THR 4 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1otw s ASP 5 N -3.99 4.13 -0.24 8.00 1.01 -1.26 -4.95 116.67 119.38 1otw s ASP 5 Ca -0.05 -1.52 -0.19 0.00 0.71 0.00 0.00 52.55 51.49 1otw s ASP 5 Cb 0.05 -1.23 -0.09 0.00 1.01 0.00 0.00 42.92 42.66 1otw s ASP 5 CO 0.49 -0.31 0.97 0.41 0.21 0.00 0.00 175.17 176.95 1otw n THR 6 N 4.60 0.00 -2.24 -1.27 -1.04 -1.26 -4.85 114.28 108.22 1otw n THR 6 Ca -0.06 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.58 1otw n THR 6 Cb 0.43 -0.22 -0.00 0.00 -1.82 0.00 0.00 70.33 68.71 1otw n THR 6 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1otw s LEU 7 N 2.76 3.93 0.98 -4.42 1.43 -1.26 -4.99 118.68 117.11 1otw s LEU 7 Ca 0.54 2.28 -0.11 0.00 -1.03 0.00 0.00 54.13 55.81 1otw s LEU 7 Cb -0.67 -4.35 0.15 0.00 0.03 0.00 0.00 46.19 41.35 1otw s LEU 7 CO 0.29 -1.04 0.91 -1.54 0.23 0.00 0.00 176.35 175.21 1otw n SER 8 N -0.76 -0.65 -0.27 2.29 3.41 -1.26 -4.69 113.62 111.69 1otw n SER 8 Ca 0.09 0.28 -0.02 0.00 -0.26 0.00 0.00 58.87 58.95 1otw n SER 8 Cb 0.49 -1.36 0.04 0.00 -0.26 0.00 0.00 64.21 63.12 1otw n SER 8 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1otw h PRO 9 N -1.97 -0.08 -0.27 4.33 0.11 -1.94 -0.09 132.00 132.09 1otw h PRO 9 Ca -0.47 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 1otw h PRO 9 Cb 1.29 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1otw h PRO 9 CO 0.41 -0.05 -0.38 -0.56 -0.21 0.00 0.00 178.00 177.21 1otw h GLN 10 N -0.08 0.74 -0.42 1.05 -0.00 -1.98 -0.83 115.11 113.59 1otw h GLN 10 Ca 0.30 -0.43 -0.02 0.00 -0.00 0.00 0.00 58.65 58.50 1otw h GLN 10 Cb 0.57 0.03 -0.02 0.00 -0.00 0.00 0.00 27.48 28.07 1otw h GLN 10 CO -0.80 1.05 0.16 0.00 -0.00 0.00 0.00 178.83 179.25 1otw h ALA 11 N 0.68 1.50 -0.44 0.06 0.00 -1.88 -2.65 119.26 116.53 1otw h ALA 11 Ca 0.03 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1otw h ALA 11 Cb 0.97 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1otw h ALA 11 CO 0.09 0.38 -0.27 0.35 0.00 0.00 0.00 179.25 179.80 1otw h PHE 12 N 0.59 1.12 -0.97 0.00 3.57 -0.35 -1.97 116.94 118.93 1otw h PHE 12 Ca 0.14 -0.30 0.11 0.00 3.53 0.00 0.00 57.97 61.46 1otw h PHE 12 Cb 0.13 -0.25 -0.08 0.00 2.79 0.00 0.00 35.95 38.54 1otw h PHE 12 CO 0.01 1.12 0.62 1.49 -2.23 0.00 0.00 178.31 179.31 1otw h GLU 13 N 0.80 0.92 -0.00 1.11 4.81 -0.82 -0.69 114.58 120.72 1otw h GLU 13 Ca 0.09 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 1otw h GLU 13 Cb 0.86 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 1otw h GLU 13 CO 0.08 0.61 -0.78 0.93 -0.73 0.00 0.00 179.01 179.12 1otw h GLU 14 N 0.95 0.02 0.00 1.92 4.39 -1.28 -1.55 114.58 119.03 1otw h GLU 14 Ca 0.47 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 60.08 1otw h GLU 14 Cb 0.48 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1otw h GLU 14 CO -0.23 0.79 -0.32 0.00 -1.16 0.00 0.00 179.01 178.08 1otw h ALA 15 N 1.20 1.17 -0.30 3.43 0.00 -0.44 -1.83 119.26 122.49 1otw h ALA 15 Ca -0.01 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1otw h ALA 15 Cb 1.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1otw h ALA 15 CO 0.10 0.40 -0.36 -0.07 0.00 0.00 0.00 179.25 179.33 1otw h LEU 16 N 0.00 0.72 -0.82 0.00 3.38 -0.44 -3.14 115.31 115.01 1otw h LEU 16 Ca -0.00 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 1otw h LEU 16 Cb 0.71 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1otw h LEU 16 CO 0.04 1.01 -0.59 0.03 0.09 0.00 0.00 178.44 179.03 1otw h ARG 17 N 0.57 0.00 0.00 1.13 3.08 -0.64 -2.53 114.38 115.99 1otw h ARG 17 Ca 0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1otw h ARG 17 Cb 0.88 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.93 1otw h ARG 17 CO 0.08 0.59 -0.08 0.00 -1.07 0.00 0.00 179.97 179.49 1otw h ALA 18 N 1.41 1.32 0.00 0.04 0.00 -1.30 -0.60 119.26 120.12 1otw h ALA 18 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1otw h ALA 18 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1otw h ALA 18 CO 0.08 0.10 0.00 1.63 0.00 0.00 0.00 179.25 181.06 1otw n LYS 19 N -3.64 0.16 0.26 0.00 4.76 -0.95 -2.57 118.16 116.18 1otw n LYS 19 Ca -0.02 0.59 0.18 0.00 -2.87 0.00 0.00 58.31 56.19 1otw n LYS 19 Cb 0.19 -1.96 0.93 0.00 -1.84 0.00 0.00 35.03 32.35 1otw n LYS 19 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1otw h GLY 20 N 0.58 0.00 2.00 0.72 0.00 -1.26 -0.95 103.07 104.15 1otw h GLY 20 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1otw h GLY 20 CO 0.00 0.00 -0.00 -0.55 0.00 0.00 0.00 176.54 175.99 1otw h ASP 21 N 0.00 0.00 -0.48 0.19 3.32 -1.72 -2.63 116.42 115.10 1otw h ASP 21 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1otw h ASP 21 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1otw h ASP 21 CO 0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 1otw n PHE 22 N -3.76 1.05 -1.18 4.55 3.01 -0.36 -4.94 117.46 115.83 1otw n PHE 22 Ca -0.03 -0.63 -0.32 0.00 1.01 0.00 0.00 57.45 57.48 1otw n PHE 22 Cb 0.08 -0.19 0.11 0.00 -0.01 0.00 0.00 39.48 39.48 1otw n PHE 22 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1otw s TYR 23 N -1.78 2.12 -1.70 1.38 5.04 -1.00 -4.91 117.35 116.50 1otw s TYR 23 Ca 0.41 1.65 0.21 0.00 -2.44 0.00 0.00 57.07 56.90 1otw s TYR 23 Cb 0.27 -3.28 1.13 0.00 0.35 0.00 0.00 41.96 40.43 1otw s TYR 23 CO 0.19 -2.34 1.63 -2.39 -1.34 0.00 0.00 175.55 171.30 1otw n HIS 24 N -3.40 0.00 0.33 4.97 1.44 -1.26 -2.07 115.22 115.22 1otw n HIS 24 Ca 0.11 0.00 0.22 0.00 -2.01 0.00 0.00 57.72 56.04 1otw n HIS 24 Cb 0.52 -0.15 1.15 0.00 0.12 0.00 0.00 29.99 31.63 1otw n HIS 24 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 1otw h ILE 25 N 0.00 0.01 -0.37 0.61 2.10 -1.95 -1.99 117.51 115.93 1otw h ILE 25 Ca 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.87 1otw h ILE 25 Cb 0.10 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 36.90 1otw h ILE 25 CO 0.00 0.00 0.00 1.41 -1.08 0.00 0.00 178.15 178.48 1otw n HIS 26 N -3.10 0.48 -2.52 2.19 8.25 -0.88 -4.54 115.22 115.09 1otw n HIS 26 Ca -0.03 -0.24 -0.41 0.00 -0.26 0.00 0.00 57.72 56.79 1otw n HIS 26 Cb 0.10 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.17 1otw n HIS 26 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1otw s HIS 27 N -1.52 3.61 0.54 4.41 5.04 -0.75 -4.95 115.29 121.67 1otw s HIS 27 Ca 0.37 1.63 0.21 0.00 -1.54 0.00 0.00 55.06 55.73 1otw s HIS 27 Cb 0.21 -3.26 1.46 0.00 0.04 0.00 0.00 32.58 31.03 1otw s HIS 27 CO 0.30 -0.54 2.18 -1.35 -2.34 0.00 0.00 174.74 172.99 1otw h PRO 28 N 4.88 0.00 -0.65 2.88 0.11 -1.91 -1.51 132.00 135.80 1otw h PRO 28 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 1otw h PRO 28 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1otw h PRO 28 CO 0.71 0.00 0.35 -0.92 -0.21 0.00 0.00 178.00 177.93 1otw h TYR 29 N 0.00 0.91 -0.12 0.65 3.20 -1.92 -0.40 116.97 119.29 1otw h TYR 29 Ca 0.01 -0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.70 1otw h TYR 29 Cb 0.03 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 1otw h TYR 29 CO 0.00 0.66 -0.57 1.25 -1.64 0.00 0.00 178.16 177.86 1otw h HIS 30 N 0.89 0.47 -0.41 -3.82 2.76 -1.57 -2.77 115.15 110.70 1otw h HIS 30 Ca 0.23 -0.17 -0.07 0.00 -2.20 0.00 0.00 60.37 58.15 1otw h HIS 30 Cb 0.06 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1otw h HIS 30 CO -0.00 0.86 -0.04 0.82 -1.30 0.00 0.00 177.93 178.27 1otw h ILE 31 N 0.28 1.27 -0.26 6.26 2.04 -1.00 0.10 117.51 126.20 1otw h ILE 31 Ca 0.00 -1.08 0.03 0.00 1.00 0.00 0.00 64.86 64.81 1otw h ILE 31 Cb 1.09 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1otw h ILE 31 CO 0.10 0.36 0.06 0.00 0.00 0.00 0.00 178.15 178.67 1otw h ALA 32 N 0.87 0.27 -0.59 1.87 0.00 -1.10 0.15 119.26 120.74 1otw h ALA 32 Ca 0.11 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1otw h ALA 32 Cb 0.53 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1otw h ALA 32 CO 0.03 -0.36 0.26 0.52 0.00 0.00 0.00 179.25 179.70 1otw h MET 33 N 0.16 0.87 -1.01 0.00 2.86 -1.22 -0.70 114.93 115.88 1otw h MET 33 Ca 0.12 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1otw h MET 33 Cb 0.12 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.57 1otw h MET 33 CO -0.15 0.72 0.66 1.25 1.06 0.00 0.00 176.91 180.45 1otw h HIS 34 N 0.81 1.25 0.00 -0.22 6.17 -0.39 -2.94 115.15 119.83 1otw h HIS 34 Ca 0.20 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.31 1otw h HIS 34 Cb 0.16 -0.42 0.00 0.00 2.52 0.00 0.00 27.41 29.67 1otw h HIS 34 CO 0.00 0.74 -0.12 0.09 0.71 0.00 0.00 177.93 179.36 1otw n ASN 35 N -4.42 0.51 0.00 3.26 3.02 0.51 -4.82 115.26 113.32 1otw n ASN 35 Ca 0.13 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 1otw n ASN 35 Cb 0.07 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1otw n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1otw n GLY 36 N 1.39 0.92 0.79 7.41 0.00 -0.89 -4.99 105.19 109.82 1otw n GLY 36 Ca 0.06 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1otw n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1otw n ASP 37 N 0.12 3.14 -4.82 1.61 8.00 -0.32 -4.95 116.55 119.33 1otw n ASP 37 Ca 0.00 -2.00 -0.36 0.00 0.71 0.00 0.00 54.79 53.15 1otw n ASP 37 Cb 0.00 -0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 40.75 1otw n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1otw s ALA 38 N -1.00 3.36 0.58 2.24 0.00 -1.18 -4.88 121.76 120.88 1otw s ALA 38 Ca 0.29 0.20 -0.07 0.00 0.00 0.00 0.00 51.96 52.38 1otw s ALA 38 Cb 0.15 -2.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 1otw s ALA 38 CO 0.20 0.30 0.91 0.95 0.00 0.00 0.00 175.76 178.11 1otw s THR 39 N -1.62 4.13 0.20 0.00 -4.23 -1.26 -4.93 115.64 107.93 1otw s THR 39 Ca 0.46 0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 61.09 1otw s THR 39 Cb -0.16 -3.63 0.13 0.00 1.34 0.00 0.00 72.50 70.18 1otw s THR 39 CO 0.21 -0.68 1.85 -0.09 -0.54 0.00 0.00 174.62 175.36 1otw h ARG 40 N -0.14 0.81 -0.85 3.99 2.43 -1.99 0.43 114.38 119.07 1otw h ARG 40 Ca -0.46 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 58.73 1otw h ARG 40 Cb 1.23 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 30.54 1otw h ARG 40 CO 0.61 0.54 0.52 -0.22 -1.51 0.00 0.00 179.97 179.91 1otw h LYS 41 N 0.84 0.90 -0.54 0.20 3.64 -1.98 1.00 116.57 120.63 1otw h LYS 41 Ca 0.26 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1otw h LYS 41 Cb -0.01 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1otw h LYS 41 CO -0.09 0.59 -0.12 1.96 -2.27 0.00 0.00 179.45 179.52 1otw h GLN 42 N 0.92 1.03 -0.22 1.90 4.20 -1.46 0.01 115.11 121.49 1otw h GLN 42 Ca 0.38 -0.38 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1otw h GLN 42 Cb 0.21 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1otw h GLN 42 CO -0.19 1.07 0.01 0.82 -0.67 0.00 0.00 178.83 179.87 1otw h ILE 43 N 0.91 1.25 -0.61 2.54 2.04 -0.45 -1.90 117.51 121.29 1otw h ILE 43 Ca 0.14 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1otw h ILE 43 Cb 0.69 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1otw h ILE 43 CO 0.05 0.26 0.40 1.56 0.00 0.00 0.00 178.15 180.43 1otw h GLN 44 N 0.16 0.79 -0.70 2.37 4.20 -0.69 0.35 115.11 121.60 1otw h GLN 44 Ca 0.06 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1otw h GLN 44 Cb 0.38 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1otw h GLN 44 CO 0.01 0.52 0.27 0.78 -0.67 0.00 0.00 178.83 179.75 1otw h GLY 45 N 0.82 1.12 0.93 3.46 0.00 -0.91 0.00 103.07 108.49 1otw h GLY 45 Ca 0.23 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 1otw h GLY 45 CO -0.06 0.56 -0.06 -0.25 0.00 0.00 0.00 176.54 176.73 1otw h TRP 46 N 1.02 0.74 -0.79 5.60 7.01 -0.85 0.31 115.95 128.99 1otw h TRP 46 Ca 0.24 -0.15 -0.04 0.00 2.11 0.00 0.00 58.89 61.05 1otw h TRP 46 Cb 0.21 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.05 1otw h TRP 46 CO 0.02 0.81 0.35 0.28 -2.79 0.00 0.00 178.44 177.10 1otw h VAL 47 N 0.45 1.25 -0.27 2.65 2.07 -0.40 -0.12 116.25 121.89 1otw h VAL 47 Ca 0.09 -0.75 -0.10 0.00 0.82 0.00 0.00 66.70 66.76 1otw h VAL 47 Cb 0.56 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1otw h VAL 47 CO 0.03 0.31 -0.21 0.00 0.02 0.00 0.00 177.57 177.72 1otw h ALA 48 N 1.18 0.39 -0.39 1.67 0.00 -0.71 -2.76 119.26 118.65 1otw h ALA 48 Ca 0.27 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1otw h ALA 48 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1otw h ALA 48 CO -0.03 0.34 -0.38 -0.91 0.00 0.00 0.00 179.25 178.28 1otw h ASN 49 N 0.35 1.01 0.37 0.00 2.35 -0.75 -3.07 115.58 115.85 1otw h ASN 49 Ca 0.05 -0.46 -0.02 0.00 -0.55 0.00 0.00 56.30 55.32 1otw h ASN 49 Cb 0.76 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 1otw h ASN 49 CO 0.06 1.27 -0.08 0.03 -1.65 0.00 0.00 177.43 177.05 1otw h ARG 50 N 0.78 0.00 -0.03 0.81 2.47 -0.98 -1.99 114.38 115.44 1otw h ARG 50 Ca 0.06 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 1otw h ARG 50 Cb 0.97 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.29 1otw h ARG 50 CO 0.09 0.08 -0.04 0.35 0.56 0.00 0.00 179.97 181.01 1otw h PHE 51 N 0.00 0.04 -0.37 3.04 3.57 -1.38 0.73 116.94 122.57 1otw h PHE 51 Ca -0.00 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1otw h PHE 51 Cb 0.29 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1otw h PHE 51 CO 0.00 0.08 0.00 -0.92 -2.23 0.00 0.00 178.31 175.25 1otw h TYR 52 N 0.04 0.60 -0.09 0.41 3.20 -1.48 -1.61 116.97 118.05 1otw h TYR 52 Ca 0.01 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.75 1otw h TYR 52 Cb 0.10 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1otw h TYR 52 CO 0.00 0.58 -0.20 -0.92 -1.64 0.00 0.00 178.16 175.98 1otw h TYR 53 N 0.55 0.37 -0.75 -3.82 3.20 -1.03 -2.76 116.97 112.73 1otw h TYR 53 Ca 0.12 -0.14 0.05 0.00 3.14 0.00 0.00 58.73 61.90 1otw h TYR 53 Cb 0.35 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 1otw h TYR 53 CO 0.01 0.81 0.46 1.96 -1.64 0.00 0.00 178.16 179.76 1otw h GLN 54 N -0.18 0.83 -0.00 1.82 1.08 -0.86 -1.76 115.11 116.04 1otw h GLN 54 Ca -0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1otw h GLN 54 Cb 0.80 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1otw h GLN 54 CO 0.04 0.55 -0.04 0.25 -0.95 0.00 0.00 178.83 178.69 1otw n THR 55 N -4.68 0.00 0.08 -0.54 -2.24 -0.62 -3.03 114.28 103.24 1otw n THR 55 Ca 0.09 -0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1otw n THR 55 Cb 0.14 -0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 67.88 1otw n THR 55 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1otw h THR 56 N 0.01 0.82 -0.22 4.28 2.02 -1.03 -3.38 112.91 115.41 1otw h THR 56 Ca 0.00 -2.30 0.05 0.00 0.77 0.00 0.00 66.41 64.93 1otw h THR 56 Cb 0.48 2.31 -0.07 0.00 -1.74 0.00 0.00 68.15 69.13 1otw h THR 56 CO 0.00 0.47 -0.46 0.40 0.37 0.00 0.00 175.52 176.30 1otw h ILE 57 N 0.00 0.10 -0.10 3.11 1.08 -1.31 0.43 117.51 120.81 1otw h ILE 57 Ca -0.09 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.37 1otw h ILE 57 Cb 1.55 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 1otw h ILE 57 CO 0.07 0.00 -0.01 1.55 -0.69 0.00 0.00 178.15 179.06 1otw h PRO 58 N -0.46 0.15 -0.35 2.37 0.13 -1.76 -0.79 132.00 131.29 1otw h PRO 58 Ca 0.08 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.17 1otw h PRO 58 Cb 0.63 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1otw h PRO 58 CO -0.46 0.18 0.11 -0.07 -0.23 0.00 0.00 178.00 177.53 1otw h LEU 59 N 0.15 0.50 -0.85 1.56 3.38 -1.30 0.60 115.31 119.34 1otw h LEU 59 Ca 0.04 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1otw h LEU 59 Cb 0.13 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1otw h LEU 59 CO 0.00 0.57 0.28 0.50 0.09 0.00 0.00 178.44 179.88 1otw h LYS 60 N 0.41 1.13 -0.03 1.13 3.11 -0.55 0.88 116.57 122.64 1otw h LYS 60 Ca 0.11 -0.21 -0.24 0.00 -2.81 0.00 0.00 60.65 57.50 1otw h LYS 60 Cb 0.24 -0.18 0.01 0.00 -1.00 0.00 0.00 32.23 31.31 1otw h LYS 60 CO -0.00 0.93 -0.95 -0.44 -2.81 0.00 0.00 179.45 176.17 1otw h ASP 61 N 1.09 0.78 -0.63 4.20 3.45 -1.09 -1.72 116.42 122.51 1otw h ASP 61 Ca 0.25 -0.60 -0.03 0.00 0.43 0.00 0.00 57.03 57.08 1otw h ASP 61 Cb 0.24 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 1otw h ASP 61 CO -0.02 1.40 0.28 0.00 -1.57 0.00 0.00 179.24 179.33 1otw h ALA 62 N 0.56 1.27 -0.69 3.45 0.00 -0.45 -1.70 119.26 121.70 1otw h ALA 62 Ca -0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1otw h ALA 62 Cb 1.59 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1otw h ALA 62 CO 0.18 0.55 0.39 0.00 0.00 0.00 0.00 179.25 180.38 1otw h ALA 63 N 1.37 1.39 -0.26 0.00 0.00 -0.43 -1.12 119.26 120.22 1otw h ALA 63 Ca 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1otw h ALA 63 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1otw h ALA 63 CO -0.02 0.51 0.02 0.82 0.00 0.00 0.00 179.25 180.58 1otw h ILE 64 N 0.96 1.25 -0.95 0.00 2.04 -0.79 -2.81 117.51 117.20 1otw h ILE 64 Ca 0.25 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.26 1otw h ILE 64 Cb -0.00 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1otw h ILE 64 CO -0.04 0.27 0.63 0.24 0.00 0.00 0.00 178.15 179.25 1otw h MET 65 N 0.25 1.24 -0.16 2.37 2.86 -0.93 -0.73 114.93 119.84 1otw h MET 65 Ca 0.08 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1otw h MET 65 Cb 0.38 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1otw h MET 65 CO 0.01 0.82 0.18 0.00 1.06 0.00 0.00 176.91 178.98 1otw h ALA 66 N 1.36 1.76 -0.03 6.32 0.00 -0.97 -2.33 119.26 125.38 1otw h ALA 66 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1otw h ALA 66 Cb -0.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1otw h ALA 66 CO -0.08 -0.26 -0.00 0.09 0.00 0.00 0.00 179.25 179.00 1otw n ASN 67 N -3.80 2.82 -4.13 0.00 3.02 -0.34 -4.88 115.26 107.95 1otw n ASN 67 Ca 0.01 -1.91 -0.37 0.00 -0.03 0.00 0.00 54.58 52.28 1otw n ASN 67 Cb 0.29 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.35 1otw n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1otw n PRO 69 N 4.61 0.86 -3.62 0.00 -0.02 -1.26 -4.68 135.00 130.89 1otw n PRO 69 Ca -0.03 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.05 1otw n PRO 69 Cb 0.41 -1.09 -0.11 0.00 -0.02 0.00 0.00 33.50 32.69 1otw n PRO 69 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1otw s ASP 70 N -0.92 5.61 0.40 2.55 2.15 -1.26 -4.94 116.67 120.25 1otw s ASP 70 Ca 0.00 -1.37 0.10 0.00 0.43 0.00 0.00 52.55 51.71 1otw s ASP 70 Cb 0.00 -1.98 0.83 0.00 -0.30 0.00 0.00 42.92 41.47 1otw s ASP 70 CO 0.00 -0.48 1.93 0.00 -0.17 0.00 0.00 175.17 176.45 1otw h ALA 71 N 8.38 1.55 -0.43 3.66 0.00 -1.99 -1.65 119.26 128.78 1otw h ALA 71 Ca -0.23 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1otw h ALA 71 Cb 1.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1otw h ALA 71 CO 0.72 0.33 -0.17 0.37 0.00 0.00 0.00 179.25 180.49 1otw h GLN 72 N 0.18 0.81 -0.20 0.00 5.75 -1.97 -0.86 115.11 118.82 1otw h GLN 72 Ca 0.04 -0.31 -0.18 0.00 -0.15 0.00 0.00 58.65 58.05 1otw h GLN 72 Cb 0.36 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.86 1otw h GLN 72 CO 0.02 0.93 -0.61 1.15 -2.65 0.00 0.00 178.83 177.67 1otw h THR 73 N 0.72 1.31 -0.24 2.39 2.02 -1.77 -3.01 112.91 114.34 1otw h THR 73 Ca 0.11 -1.85 -0.06 0.00 0.77 0.00 0.00 66.41 65.38 1otw h THR 73 Cb 0.68 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1otw h THR 73 CO 0.05 0.58 -0.11 0.03 0.37 0.00 0.00 175.52 176.44 1otw h ARG 74 N 0.51 0.39 -0.30 6.66 3.08 -1.03 -0.70 114.38 122.97 1otw h ARG 74 Ca -0.00 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1otw h ARG 74 Cb 1.19 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 1otw h ARG 74 CO 0.12 0.50 0.12 0.00 -1.07 0.00 0.00 179.97 179.65 1otw h ARG 75 N 0.36 0.42 0.00 0.04 3.08 -1.02 -2.28 114.38 114.98 1otw h ARG 75 Ca 0.07 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1otw h ARG 75 Cb 0.42 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1otw h ARG 75 CO 0.02 0.35 -0.38 0.87 -1.07 0.00 0.00 179.97 179.76 1otw h LYS 76 N 0.42 0.00 -0.75 0.04 1.57 -1.46 -3.38 116.57 113.02 1otw h LYS 76 Ca 0.11 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.99 1otw h LYS 76 Cb 0.09 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1otw h LYS 76 CO -0.01 0.85 0.49 2.35 -0.57 0.00 0.00 179.45 182.56 1otw h TRP 77 N -1.00 0.67 0.00 -1.35 2.91 -1.11 -2.22 115.95 113.85 1otw h TRP 77 Ca -0.10 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.93 1otw h TRP 77 Cb 0.96 -0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 29.39 1otw h TRP 77 CO 0.17 0.31 -0.04 -0.24 -1.03 0.00 0.00 178.44 177.61 1otw h VAL 78 N 0.62 0.42 0.00 2.65 3.04 -1.58 -0.86 116.25 120.55 1otw h VAL 78 Ca 0.35 -0.20 -0.01 0.00 -1.01 0.00 0.00 66.70 65.83 1otw h VAL 78 Cb 0.51 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 30.93 1otw h VAL 78 CO -0.12 0.04 -0.03 -0.61 -1.01 0.00 0.00 177.57 175.83 1otw h GLN 79 N 0.00 0.00 -0.90 4.17 5.75 -1.60 0.11 115.11 122.64 1otw h GLN 79 Ca -0.00 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 1otw h GLN 79 Cb 0.13 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.62 1otw h GLN 79 CO 0.01 0.03 0.59 0.00 -2.65 0.00 0.00 178.83 176.81 1otw h ARG 80 N 0.00 1.03 0.07 1.69 3.08 -1.34 -0.96 114.38 117.96 1otw h ARG 80 Ca -0.00 -0.06 -0.27 0.00 0.07 0.00 0.00 59.98 59.72 1otw h ARG 80 Cb 0.06 -0.23 0.02 0.00 0.08 0.00 0.00 29.97 29.89 1otw h ARG 80 CO 0.00 0.68 -1.13 0.82 -1.07 0.00 0.00 179.97 179.28 1otw h ILE 81 N 1.06 1.35 -0.87 2.04 2.04 -0.94 -2.85 117.51 119.35 1otw h ILE 81 Ca 0.38 -2.53 -0.02 0.00 1.00 0.00 0.00 64.86 63.68 1otw h ILE 81 Cb 0.13 2.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.78 1otw h ILE 81 CO -0.13 0.76 0.46 -0.07 0.00 0.00 0.00 178.15 179.16 1otw h LEU 82 N 0.24 1.11 -0.60 1.44 3.38 -1.18 0.24 115.31 119.94 1otw h LEU 82 Ca -0.14 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1otw h LEU 82 Cb 1.79 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.23 1otw h LEU 82 CO 0.21 0.91 0.37 0.44 0.09 0.00 0.00 178.44 180.45 1otw h ASP 83 N 1.23 0.72 0.22 -0.43 3.32 -1.09 0.48 116.42 120.87 1otw h ASP 83 Ca 0.30 -0.05 -0.35 0.00 0.02 0.00 0.00 57.03 56.95 1otw h ASP 83 Cb 0.06 -0.18 0.02 0.00 0.22 0.00 0.00 39.33 39.45 1otw h ASP 83 CO -0.04 0.56 -1.66 0.45 -1.72 0.00 0.00 179.24 176.83 1otw h HIS 84 N 0.81 0.81 0.00 4.55 3.86 -1.39 0.16 115.15 123.96 1otw h HIS 84 Ca 0.22 -0.59 -0.06 0.00 -1.16 0.00 0.00 60.37 58.78 1otw h HIS 84 Cb -0.03 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1otw h HIS 84 CO -0.02 1.64 -0.56 -0.44 0.86 0.00 0.00 177.93 179.41 1otw h ASP 85 N 0.12 0.00 -3.95 2.45 5.19 -0.50 -2.29 116.42 117.44 1otw h ASP 85 Ca -0.31 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.13 1otw h ASP 85 Cb 2.13 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.62 1otw h ASP 85 CO 0.21 0.23 -0.08 0.61 -3.12 0.00 0.00 179.24 177.10 1otw n GLY 86 N 1.20 -1.90 0.00 2.75 0.00 0.17 -4.64 105.19 102.76 1otw n GLY 86 Ca 0.01 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1otw n GLY 86 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1otw n SER 87 N -2.45 0.00 -0.21 1.61 7.64 -1.26 -4.80 113.62 114.15 1otw n SER 87 Ca -0.00 0.08 0.13 0.00 1.01 0.00 0.00 58.87 60.09 1otw n SER 87 Cb 0.06 -0.44 0.44 0.00 -1.01 0.00 0.00 64.21 63.26 1otw n SER 87 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1otw n HIS 88 N -2.28 0.00 0.00 1.43 8.25 -1.26 -4.97 115.22 116.38 1otw n HIS 88 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1otw n HIS 88 Cb 0.00 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 30.97 1otw n HIS 88 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1otw n GLY 89 N 1.33 0.01 2.21 -1.41 0.00 -1.26 -4.93 105.19 101.14 1otw n GLY 89 Ca 0.13 0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1otw n GLY 89 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1otw n GLU 90 N 0.00 3.12 -4.56 1.61 0.28 -1.26 -4.97 120.64 114.86 1otw n GLU 90 Ca 0.00 -3.71 -0.26 0.00 -0.16 0.00 0.00 57.16 53.03 1otw n GLU 90 Cb 0.00 -2.28 -0.10 0.00 1.43 0.00 0.00 31.44 30.49 1otw n GLU 90 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1otw s ASP 91 N -2.63 3.11 0.00 -1.84 -4.77 -1.26 -4.87 116.67 104.42 1otw s ASP 91 Ca 0.58 -1.48 0.00 0.00 -3.30 0.00 0.00 52.55 48.35 1otw s ASP 91 Cb 0.46 0.05 0.00 0.00 -1.09 0.00 0.00 42.92 42.34 1otw s ASP 91 CO -0.00 -0.67 0.00 0.61 0.70 0.00 0.00 175.17 175.81 1otw n GLY 92 N -0.89 1.40 0.32 2.12 0.00 -1.26 -4.01 105.19 102.87 1otw n GLY 92 Ca -0.06 -1.94 -0.05 0.00 0.00 0.00 0.00 46.02 43.96 1otw n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1otw h GLY 93 N 0.00 1.20 0.82 -0.02 0.00 -0.47 -2.56 103.07 102.05 1otw h GLY 93 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1otw h GLY 93 CO 0.00 0.57 0.03 -2.22 0.00 0.00 0.00 176.54 174.92 1otw h ILE 94 N 1.10 1.18 -0.08 2.60 2.04 -1.69 0.26 117.51 122.92 1otw h ILE 94 Ca 0.27 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.60 1otw h ILE 94 Cb 0.13 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 1otw h ILE 94 CO -0.03 0.16 -0.19 -0.33 0.00 0.00 0.00 178.15 177.76 1otw h GLU 95 N -0.04 -0.25 -0.83 2.37 4.39 -1.79 -0.41 114.58 118.02 1otw h GLU 95 Ca 0.03 0.02 0.15 0.00 0.34 0.00 0.00 59.36 59.90 1otw h GLU 95 Cb 0.23 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.84 1otw h GLU 95 CO -0.00 -0.17 0.40 0.00 -1.16 0.00 0.00 179.01 178.09 1otw h ALA 96 N 0.71 1.25 -0.12 3.43 0.00 -1.23 0.14 119.26 123.45 1otw h ALA 96 Ca 0.08 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1otw h ALA 96 Cb 0.38 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1otw h ALA 96 CO -0.23 -0.14 -0.35 2.35 0.00 0.00 0.00 179.25 180.87 1otw h TRP 97 N 0.56 0.27 -0.53 0.00 2.91 0.11 -1.12 115.95 118.15 1otw h TRP 97 Ca 0.46 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.42 1otw h TRP 97 Cb 0.69 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 29.25 1otw h TRP 97 CO -0.11 0.57 0.35 -0.07 -1.03 0.00 0.00 178.44 178.15 1otw h LEU 98 N 0.21 0.62 -1.72 0.65 3.38 0.81 -1.10 115.31 118.15 1otw h LEU 98 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1otw h LEU 98 Cb 0.72 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1otw h LEU 98 CO 0.05 0.45 0.19 0.03 0.09 0.00 0.00 178.44 179.26 1otw h ARG 99 N 0.73 0.37 -0.39 1.13 3.08 -0.28 -1.32 114.38 117.71 1otw h ARG 99 Ca 0.20 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.11 1otw h ARG 99 Cb -0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1otw h ARG 99 CO -0.04 0.25 -0.20 1.25 -1.07 0.00 0.00 179.97 180.15 1otw h LEU 100 N 0.38 0.76 0.23 3.04 5.85 -0.83 0.24 115.31 124.97 1otw h LEU 100 Ca 0.11 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1otw h LEU 100 Cb -0.03 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1otw h LEU 100 CO -0.02 0.95 -0.34 1.23 -0.34 0.00 0.00 178.44 179.91 1otw h GLY 101 N 0.97 -0.73 0.19 3.75 0.00 -0.18 -2.60 103.07 104.47 1otw h GLY 101 Ca 0.10 0.40 0.14 0.00 0.00 0.00 0.00 47.33 47.97 1otw h GLY 101 CO 0.05 -0.27 0.37 0.83 0.00 0.00 0.00 176.54 177.52 1otw h GLU 102 N -0.64 0.51 0.00 4.80 5.08 -1.11 -1.48 114.58 121.74 1otw h GLU 102 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1otw h GLU 102 Cb 0.62 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1otw h GLU 102 CO -0.13 0.34 -0.06 0.00 -1.00 0.00 0.00 179.01 178.16 1otw h ALA 103 N 1.55 1.12 -0.43 3.43 0.00 -0.74 -1.75 119.26 122.43 1otw h ALA 103 Ca 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1otw h ALA 103 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1otw h ALA 103 CO -0.38 0.07 0.00 1.33 0.00 0.00 0.00 179.25 180.27 1otw n VAL 104 N -3.33 0.63 0.00 0.00 0.24 -0.79 -2.13 118.33 112.95 1otw n VAL 104 Ca -0.01 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 1otw n VAL 104 Cb 0.22 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 1otw n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1otw n GLY 105 N 1.37 1.08 3.88 7.63 0.00 -0.66 -4.83 105.19 113.66 1otw n GLY 105 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1otw n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1otw s LEU 106 N 0.00 4.02 0.41 0.99 1.43 -0.63 -4.99 118.68 119.91 1otw s LEU 106 Ca 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1otw s LEU 106 Cb 0.00 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 1otw s LEU 106 CO 0.00 -0.04 0.63 -0.94 0.23 0.00 0.00 176.35 176.22 1otw s SER 107 N -3.84 6.02 0.29 2.29 1.04 -1.26 -3.12 113.70 115.11 1otw s SER 107 Ca 0.33 0.35 0.02 0.00 0.48 0.00 0.00 55.95 57.13 1otw s SER 107 Cb -0.08 -1.72 0.57 0.00 0.10 0.00 0.00 66.02 64.88 1otw s SER 107 CO 0.26 -0.55 1.85 0.03 0.98 0.00 0.00 173.24 175.82 1otw h ARG 108 N 0.53 0.96 -0.26 4.02 3.08 -1.95 -2.62 114.38 118.14 1otw h ARG 108 Ca -0.47 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.38 1otw h ARG 108 Cb 1.24 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 1otw h ARG 108 CO 0.59 0.63 -0.40 0.22 -1.07 0.00 0.00 179.97 179.95 1otw h ASP 109 N 0.99 0.64 -0.81 7.04 3.58 -1.97 -0.08 116.42 125.79 1otw h ASP 109 Ca 0.48 -0.28 0.20 0.00 0.42 0.00 0.00 57.03 57.84 1otw h ASP 109 Cb 0.45 -0.18 -0.13 0.00 1.72 0.00 0.00 39.33 41.20 1otw h ASP 109 CO -0.24 0.96 0.19 0.44 -2.88 0.00 0.00 179.24 177.72 1otw h ASP 110 N 0.50 -0.02 -0.01 2.28 3.32 -1.85 -0.64 116.42 119.99 1otw h ASP 110 Ca 0.04 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1otw h ASP 110 Cb 0.90 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1otw h ASP 110 CO 0.08 -0.10 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.38 1otw h LEU 111 N 0.23 0.05 -1.22 1.55 4.07 -1.43 -3.35 115.31 115.21 1otw h LEU 111 Ca 0.48 -0.68 -0.06 0.00 0.08 0.00 0.00 57.88 57.70 1otw h LEU 111 Cb 0.91 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 1otw h LEU 111 CO -0.60 0.72 -0.30 -0.07 -1.08 0.00 0.00 178.44 177.11 1otw h LEU 112 N -0.62 0.00 -1.10 1.67 3.38 -0.70 -2.11 115.31 115.83 1otw h LEU 112 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1otw h LEU 112 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1otw h LEU 112 CO 0.01 0.30 -0.37 0.77 0.09 0.00 0.00 178.44 179.24 1otw h SER 113 N 0.00 0.00 -0.74 -0.43 4.64 -1.27 -3.47 113.55 112.29 1otw h SER 113 Ca -0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1otw h SER 113 Cb 0.72 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.69 1otw h SER 113 CO 0.04 0.37 -0.29 -0.62 -0.87 0.00 0.00 176.83 175.46 1otw n GLU 114 N -3.68 -1.13 0.18 4.77 1.02 -0.80 -4.89 120.64 116.11 1otw n GLU 114 Ca -0.01 1.04 0.04 0.00 -0.02 0.00 0.00 57.16 58.22 1otw n GLU 114 Cb 0.47 -5.22 0.35 0.00 -0.02 0.00 0.00 31.44 27.01 1otw n GLU 114 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1otw h ARG 115 N 0.01 0.00 -0.03 3.49 3.08 -1.85 -2.79 114.38 116.28 1otw h ARG 115 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1otw h ARG 115 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1otw h ARG 115 CO 0.47 0.40 0.00 0.72 -1.07 0.00 0.00 179.97 180.49 1otw n HIS 116 N -3.73 0.02 -2.26 3.04 8.25 -1.26 -4.87 115.22 114.41 1otw n HIS 116 Ca -0.01 -0.01 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 1otw n HIS 116 Cb 0.48 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.57 1otw n HIS 116 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1otw s VAL 117 N -1.98 3.93 0.36 1.59 1.01 -1.06 -4.71 120.40 119.54 1otw s VAL 117 Ca 0.35 1.06 -0.27 0.00 0.00 0.00 0.00 61.98 63.12 1otw s VAL 117 Cb 0.21 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 1otw s VAL 117 CO 0.32 -0.34 1.13 -0.76 0.00 0.00 0.00 175.10 175.46 1otw s LEU 118 N 4.64 4.31 0.26 3.92 1.43 -1.26 -4.87 118.68 127.10 1otw s LEU 118 Ca 0.64 2.28 -0.02 0.00 -1.03 0.00 0.00 54.13 56.00 1otw s LEU 118 Cb -0.22 -3.90 0.45 0.00 0.03 0.00 0.00 46.19 42.55 1otw s LEU 118 CO 0.25 -0.46 1.82 1.55 0.23 0.00 0.00 176.35 179.75 1otw h PRO 119 N 3.04 0.86 -0.96 1.29 0.13 -1.92 -1.40 132.00 133.03 1otw h PRO 119 Ca -0.48 -0.05 0.10 0.00 -0.87 0.00 0.00 66.00 64.70 1otw h PRO 119 Cb 1.22 -0.19 -0.08 0.00 0.13 0.00 0.00 31.00 32.08 1otw h PRO 119 CO 0.64 0.57 0.60 0.78 -0.23 0.00 0.00 178.00 180.36 1otw h GLY 120 N 0.88 1.52 0.88 1.56 0.00 -1.95 -0.15 103.07 105.81 1otw h GLY 120 Ca 0.43 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 1otw h GLY 120 CO -0.25 0.20 -0.03 -2.08 0.00 0.00 0.00 176.54 174.39 1otw h VAL 121 N 1.00 1.27 -0.43 4.60 2.07 -1.61 -2.90 116.25 120.25 1otw h VAL 121 Ca 0.45 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 1otw h VAL 121 Cb 0.36 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1otw h VAL 121 CO -0.23 0.32 0.03 -0.09 0.02 0.00 0.00 177.57 177.62 1otw h ARG 122 N 0.31 0.67 -0.01 1.57 2.43 -0.62 0.19 114.38 118.93 1otw h ARG 122 Ca 0.08 -0.15 -0.25 0.00 -0.81 0.00 0.00 59.98 58.85 1otw h ARG 122 Cb 0.49 -0.09 0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1otw h ARG 122 CO 0.02 0.67 -0.97 0.74 -1.51 0.00 0.00 179.97 178.92 1otw h PHE 123 N 0.64 1.00 -0.45 2.20 0.05 -1.07 0.89 116.94 120.21 1otw h PHE 123 Ca 0.14 -0.54 -0.03 0.00 3.82 0.00 0.00 57.97 61.36 1otw h PHE 123 Cb 0.36 -0.12 -0.02 0.00 2.00 0.00 0.00 35.95 38.17 1otw h PHE 123 CO 0.02 1.37 0.15 0.00 -0.18 0.00 0.00 178.31 179.66 1otw h ALA 124 N 0.40 0.58 -0.42 2.45 0.00 -1.27 -1.53 119.26 119.48 1otw h ALA 124 Ca -0.12 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1otw h ALA 124 Cb 1.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1otw h ALA 124 CO 0.19 0.23 -0.15 0.28 0.00 0.00 0.00 179.25 179.80 1otw h VAL 125 N 0.58 1.28 -0.13 0.00 2.07 -0.55 -2.70 116.25 116.79 1otw h VAL 125 Ca 0.14 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1otw h VAL 125 Cb 0.26 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1otw h VAL 125 CO -0.01 0.43 0.05 0.44 0.02 0.00 0.00 177.57 178.50 1otw h ASP 126 N 0.67 0.16 0.18 0.57 5.19 -0.75 -2.15 116.42 120.29 1otw h ASP 126 Ca 0.10 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.41 1otw h ASP 126 Cb 0.69 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 1otw h ASP 126 CO 0.05 0.15 -0.34 0.00 -3.12 0.00 0.00 179.24 175.99 1otw h ALA 127 N 1.88 1.22 0.06 3.45 0.00 -0.93 -0.78 119.26 124.16 1otw h ALA 127 Ca 0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1otw h ALA 127 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1otw h ALA 127 CO -0.00 0.53 -0.03 -0.92 0.00 0.00 0.00 179.25 178.82 1otw h TYR 128 N 0.20 -0.08 -0.35 0.00 3.20 -1.37 -1.56 116.97 117.01 1otw h TYR 128 Ca 0.03 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.95 1otw h TYR 128 Cb 0.70 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 1otw h TYR 128 CO 0.01 0.07 0.05 1.25 -1.64 0.00 0.00 178.16 177.89 1otw h LEU 129 N -0.21 -0.04 -1.05 2.82 5.85 -1.28 -1.79 115.31 119.60 1otw h LEU 129 Ca -0.01 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1otw h LEU 129 Cb 0.18 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1otw h LEU 129 CO 0.01 0.02 0.38 0.78 -0.34 0.00 0.00 178.44 179.28 1otw h ASN 130 N 0.16 0.94 -0.59 1.25 2.35 -1.10 0.78 115.58 119.37 1otw h ASN 130 Ca 0.17 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1otw h ASN 130 Cb 0.21 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1otw h ASN 130 CO -0.24 0.78 0.08 0.15 -1.65 0.00 0.00 177.43 176.55 1otw h PHE 131 N 1.04 1.08 -0.19 1.19 3.57 -1.11 -2.19 116.94 120.33 1otw h PHE 131 Ca 0.26 -0.15 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 1otw h PHE 131 Cb 0.07 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 1otw h PHE 131 CO 0.01 0.92 -0.37 0.00 -2.23 0.00 0.00 178.31 176.65 1otw h ALA 132 N 1.13 1.02 -0.60 2.41 0.00 -0.43 -1.29 119.26 121.50 1otw h ALA 132 Ca 0.19 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1otw h ALA 132 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1otw h ALA 132 CO 0.01 0.60 0.08 0.00 0.00 0.00 0.00 179.25 179.94 1otw h ARG 133 N 0.35 0.98 0.00 0.00 3.08 -0.55 -3.38 114.38 114.86 1otw h ARG 133 Ca 0.04 -0.25 -0.38 0.00 0.07 0.00 0.00 59.98 59.46 1otw h ARG 133 Cb 0.81 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.67 1otw h ARG 133 CO 0.07 0.92 -2.42 0.54 -1.07 0.00 0.00 179.97 178.00 1otw n ARG 134 N -4.22 0.68 -1.20 0.04 1.74 -0.85 -4.99 116.66 107.86 1otw n ARG 134 Ca 0.04 0.05 -0.29 0.00 -0.77 0.00 0.00 57.85 56.87 1otw n ARG 134 Cb 0.29 -1.52 0.15 0.00 -1.02 0.00 0.00 32.46 30.35 1otw n ARG 134 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1otw s ALA 135 N -2.50 1.42 0.56 7.54 0.00 -0.51 -4.99 121.76 123.29 1otw s ALA 135 Ca -0.20 -0.13 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 1otw s ALA 135 Cb 0.07 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 1otw s ALA 135 CO 0.74 -2.46 1.09 0.00 0.00 0.00 0.00 175.76 175.13 1otw h TRP 137 N 0.90 1.08 -0.34 0.00 5.08 -1.88 -1.99 115.95 118.80 1otw h TRP 137 Ca -0.49 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.51 1otw h TRP 137 Cb 1.24 -0.34 -0.02 0.00 -3.00 0.00 0.00 29.16 27.05 1otw h TRP 137 CO 0.55 0.40 0.17 1.96 -1.28 0.00 0.00 178.44 180.24 1otw h GLN 138 N 0.93 0.49 -0.64 0.12 7.50 -1.93 0.21 115.11 121.79 1otw h GLN 138 Ca 0.49 -0.07 -0.03 0.00 0.50 0.00 0.00 58.65 59.54 1otw h GLN 138 Cb 0.52 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.93 1otw h GLN 138 CO -0.28 0.43 0.28 0.93 -1.50 0.00 0.00 178.83 178.69 1otw h GLU 139 N 0.42 0.94 -0.31 1.46 5.08 -1.76 -0.93 114.58 119.49 1otw h GLU 139 Ca 0.12 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1otw h GLU 139 Cb 0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1otw h GLU 139 CO -0.02 0.77 -0.03 0.00 -1.00 0.00 0.00 179.01 178.74 1otw h ALA 140 N 1.12 0.42 -0.90 3.43 0.00 -1.14 -2.42 119.26 119.77 1otw h ALA 140 Ca 0.22 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1otw h ALA 140 Cb 0.17 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1otw h ALA 140 CO -0.02 0.20 0.59 0.00 0.00 0.00 0.00 179.25 180.02 1otw h ALA 141 N 0.82 1.53 0.00 0.00 0.00 -0.41 -2.77 119.26 118.43 1otw h ALA 141 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1otw h ALA 141 Cb 0.49 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1otw h ALA 141 CO 0.02 0.32 -0.09 0.00 0.00 0.00 0.00 179.25 179.50 1otw n SER 143 N -3.15 0.04 0.20 0.00 3.41 -0.94 -1.68 113.62 111.50 1otw n SER 143 Ca 0.02 0.51 0.15 0.00 -0.26 0.00 0.00 58.87 59.29 1otw n SER 143 Cb 0.48 -0.52 0.57 0.00 -0.26 0.00 0.00 64.21 64.48 1otw n SER 143 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1otw h SER 144 N 0.00 0.00 0.00 4.04 4.64 -1.55 -3.37 113.55 117.32 1otw h SER 144 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1otw h SER 144 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1otw h SER 144 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1otw n LEU 145 N -2.66 0.00 0.00 5.97 4.77 -0.68 -0.85 117.00 123.55 1otw n LEU 145 Ca 0.02 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.02 1otw n LEU 145 Cb 0.28 -0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1otw n LEU 145 CO 0.24 -0.00 0.57 0.35 -1.33 0.00 0.00 177.39 177.22 1otw n THR 146 N -1.00 1.68 0.32 -5.08 -2.24 -1.26 -1.11 114.28 105.59 1otw n THR 146 Ca 0.10 0.42 0.21 0.00 -2.27 0.00 0.00 64.05 62.51 1otw n THR 146 Cb 0.05 -1.35 1.10 0.00 -2.10 0.00 0.00 70.33 68.03 1otw n THR 146 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1otw h GLU 147 N 0.00 0.00 -0.67 -0.78 5.08 -1.34 -1.21 114.58 115.67 1otw h GLU 147 Ca 0.00 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.55 1otw h GLU 147 Cb 0.07 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1otw h GLU 147 CO 0.00 0.00 0.51 -0.07 -1.00 0.00 0.00 179.01 178.45 1otw h LEU 148 N 0.00 0.00 -1.11 1.33 3.38 -1.37 -2.35 115.31 115.19 1otw h LEU 148 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1otw h LEU 148 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1otw h LEU 148 CO 0.00 0.00 -0.22 0.49 0.09 0.00 0.00 178.44 178.80 1otw n PHE 149 N -4.20 0.00 -0.00 1.13 0.99 -0.46 -4.69 117.46 110.23 1otw n PHE 149 Ca 0.13 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.41 1otw n PHE 149 Cb 0.77 0.00 -0.12 0.00 -1.00 0.00 0.00 39.48 39.13 1otw n PHE 149 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1otw h ALA 150 N 2.84 0.03 -1.06 4.37 0.00 -1.42 -3.21 119.26 120.81 1otw h ALA 150 Ca 0.00 -0.56 0.28 0.00 0.00 0.00 0.00 54.91 54.64 1otw h ALA 150 Cb 0.57 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 1otw h ALA 150 CO 0.00 0.26 0.68 -1.35 0.00 0.00 0.00 179.25 178.84 1otw h PRO 151 N -0.30 0.35 -0.26 0.00 0.11 -1.84 -0.87 132.00 129.19 1otw h PRO 151 Ca -0.07 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.95 1otw h PRO 151 Cb 1.26 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1otw h PRO 151 CO 0.10 0.23 -0.09 0.37 -0.21 0.00 0.00 178.00 178.40 1otw h GLN 152 N 0.37 0.52 -0.43 1.05 4.15 -1.89 -1.16 115.11 117.71 1otw h GLN 152 Ca 0.62 -0.21 -0.09 0.00 0.77 0.00 0.00 58.65 59.74 1otw h GLN 152 Cb 1.60 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.25 1otw h GLN 152 CO -0.31 0.76 -0.09 0.97 -1.93 0.00 0.00 178.83 178.23 1otw h ILE 153 N 0.25 1.25 -0.36 2.39 2.10 -1.22 -0.42 117.51 121.51 1otw h ILE 153 Ca 0.06 -1.12 -0.10 0.00 1.08 0.00 0.00 64.86 64.78 1otw h ILE 153 Cb 0.58 1.01 -0.01 0.00 -1.09 0.00 0.00 36.82 37.32 1otw h ILE 153 CO 0.03 0.38 -0.18 0.45 -1.08 0.00 0.00 178.15 177.76 1otw h HIS 154 N 0.69 0.87 -0.72 2.19 3.86 -1.19 -2.50 115.15 118.35 1otw h HIS 154 Ca 0.12 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 1otw h HIS 154 Cb 0.55 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 1otw h HIS 154 CO 0.03 0.95 0.41 0.37 0.86 0.00 0.00 177.93 180.55 1otw h GLN 155 N 0.54 0.98 -0.92 2.45 5.75 -0.98 -2.05 115.11 120.87 1otw h GLN 155 Ca 0.08 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1otw h GLN 155 Cb 0.72 -0.20 -0.05 0.00 1.07 0.00 0.00 27.48 29.03 1otw h GLN 155 CO 0.05 0.71 0.58 0.66 -2.65 0.00 0.00 178.83 178.18 1otw h SER 156 N 0.99 1.08 -0.14 -0.69 4.64 -0.64 0.17 113.55 118.96 1otw h SER 156 Ca 0.26 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.46 1otw h SER 156 Cb -0.00 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.81 1otw h SER 156 CO -0.04 0.81 -0.20 0.03 -0.87 0.00 0.00 176.83 176.56 1otw h ARG 157 N 1.26 0.38 -0.63 4.77 3.08 -1.25 -1.55 114.38 120.45 1otw h ARG 157 Ca 0.33 -0.22 0.05 0.00 0.07 0.00 0.00 59.98 60.21 1otw h ARG 157 Cb -0.10 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1otw h ARG 157 CO -0.07 0.80 0.42 -0.07 -1.07 0.00 0.00 179.97 179.98 1otw h LEU 158 N -0.00 0.60 -0.20 3.04 3.38 -0.84 -0.79 115.31 120.49 1otw h LEU 158 Ca 0.02 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 1otw h LEU 158 Cb 0.76 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1otw h LEU 158 CO 0.05 0.40 -0.80 0.44 0.09 0.00 0.00 178.44 178.62 1otw h ASP 159 N 0.69 0.00 0.00 -0.43 3.32 -0.53 -3.41 116.42 116.06 1otw h ASP 159 Ca 0.26 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.19 1otw h ASP 159 Cb 0.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1otw h ASP 159 CO -0.08 0.80 -1.47 -1.54 -1.72 0.00 0.00 179.24 175.24 1otw n SER 160 N -3.42 3.33 -0.11 6.45 3.41 -0.60 -4.74 113.62 117.95 1otw n SER 160 Ca 0.00 -0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1otw n SER 160 Cb 0.81 0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 65.39 1otw n SER 160 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1otw h TRP 161 N 0.00 0.64 -0.86 7.33 4.06 -1.37 -2.96 115.95 122.80 1otw h TRP 161 Ca -0.18 -0.13 0.12 0.00 2.06 0.00 0.00 58.89 60.76 1otw h TRP 161 Cb 1.42 -0.16 -0.08 0.00 -1.00 0.00 0.00 29.16 29.33 1otw h TRP 161 CO 0.00 0.74 0.48 -1.35 -3.56 0.00 0.00 178.44 174.75 1otw h PRO 162 N 0.36 0.72 -0.26 0.49 0.11 -1.80 0.23 132.00 131.85 1otw h PRO 162 Ca 0.08 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 1otw h PRO 162 Cb 0.51 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 1otw h PRO 162 CO 0.02 0.48 -0.23 0.37 -0.21 0.00 0.00 178.00 178.43 1otw h GLN 163 N 0.74 0.62 0.04 1.05 4.15 -1.84 -3.12 115.11 116.74 1otw h GLN 163 Ca 0.44 -0.32 -0.24 0.00 0.77 0.00 0.00 58.65 59.30 1otw h GLN 163 Cb 0.51 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 1otw h GLN 163 CO -0.30 0.91 -1.17 0.45 -1.93 0.00 0.00 178.83 176.80 1otw h HIS 164 N 0.34 0.14 -2.06 3.99 3.86 -1.29 -3.40 115.15 116.73 1otw h HIS 164 Ca 0.04 -0.10 -0.56 0.00 -1.16 0.00 0.00 60.37 58.59 1otw h HIS 164 Cb 0.79 -0.01 -0.40 0.00 1.06 0.00 0.00 27.41 28.85 1otw h HIS 164 CO 0.07 1.09 -0.97 0.66 0.86 0.00 0.00 177.93 179.64 1otw n TYR 165 N -3.37 0.95 0.70 2.45 4.02 0.78 -4.96 117.16 117.74 1otw n TYR 165 Ca -0.05 -3.77 0.08 0.00 -0.01 0.00 0.00 57.90 54.15 1otw n TYR 165 Cb 0.98 -0.42 0.39 0.00 -0.02 0.00 0.00 39.34 40.27 1otw n TYR 165 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1otw n PRO 166 N 0.97 0.15 0.13 -0.72 -0.04 -1.18 -1.73 135.00 132.58 1otw n PRO 166 Ca 0.24 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.99 1otw n PRO 166 Cb 0.51 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.94 1otw n PRO 166 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1otw h TRP 167 N 0.00 0.00 -2.90 0.54 5.08 -1.93 -3.43 115.95 113.32 1otw h TRP 167 Ca 0.00 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 59.41 1otw h TRP 167 Cb 0.20 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.33 1otw h TRP 167 CO 0.00 0.00 0.90 0.42 -1.28 0.00 0.00 178.44 178.48 1otw s ILE 168 N -3.26 4.21 0.37 0.12 1.01 -0.71 -4.86 121.20 118.09 1otw s ILE 168 Ca 0.07 1.47 -0.27 0.00 0.00 0.00 0.00 60.65 61.92 1otw s ILE 168 Cb 0.10 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.53 1otw s ILE 168 CO 0.49 -0.12 1.28 -0.54 0.00 0.00 0.00 174.94 176.05 1otw s LYS 169 N 3.43 4.15 0.29 2.79 1.02 -0.91 -4.92 119.74 125.59 1otw s LYS 169 Ca 0.56 2.13 0.04 0.00 0.02 0.00 0.00 55.97 58.72 1otw s LYS 169 Cb -0.23 -2.88 0.75 0.00 -0.52 0.00 0.00 37.83 34.95 1otw s LYS 169 CO 0.17 -0.33 1.68 1.49 -0.92 0.00 0.00 175.35 177.43 1otw h GLU 170 N 2.97 0.32 0.00 1.68 4.57 -1.93 -1.33 114.58 120.87 1otw h GLU 170 Ca -0.49 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1otw h GLU 170 Cb 1.24 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1otw h GLU 170 CO 0.64 0.21 0.00 1.05 -1.18 0.00 0.00 179.01 179.73 1otw h GLU 171 N 0.33 0.00 0.00 1.92 9.09 -1.94 -2.03 114.58 121.96 1otw h GLU 171 Ca 0.57 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.98 1otw h GLU 171 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 1otw h GLU 171 CO -0.57 0.00 0.00 0.78 0.05 0.00 0.00 179.01 179.27 1otw h GLY 172 N 2.90 0.00 1.58 1.06 0.00 -1.44 -2.86 103.07 104.32 1otw h GLY 172 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1otw h GLY 172 CO 0.00 0.00 -0.08 -1.72 0.00 0.00 0.00 176.54 174.74 1otw n TYR 173 N -2.62 0.00 -0.09 5.60 4.02 -0.76 -4.12 117.16 119.18 1otw n TYR 173 Ca -0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.83 1otw n TYR 173 Cb 0.15 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 1otw n TYR 173 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 1otw h PHE 174 N 0.09 -0.24 0.11 -0.72 3.57 -1.71 -2.12 116.94 115.93 1otw h PHE 174 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1otw h PHE 174 Cb 0.42 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1otw h PHE 174 CO 0.00 -0.17 -0.09 -0.92 -2.23 0.00 0.00 178.31 174.90 1otw h TYR 175 N -0.03 -0.23 -0.98 0.41 3.20 -1.84 0.33 116.97 117.82 1otw h TYR 175 Ca 0.17 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.13 1otw h TYR 175 Cb 0.29 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.57 1otw h TYR 175 CO -0.33 -0.14 0.63 0.74 -1.64 0.00 0.00 178.16 177.41 1otw h PHE 176 N -0.21 1.12 -0.35 -3.82 0.05 -1.73 -0.53 116.94 111.48 1otw h PHE 176 Ca -0.00 0.03 -0.11 0.00 3.82 0.00 0.00 57.97 61.71 1otw h PHE 176 Cb 0.19 -0.36 -0.01 0.00 2.00 0.00 0.00 35.95 37.77 1otw h PHE 176 CO -0.10 0.51 -0.20 -0.09 -0.18 0.00 0.00 178.31 178.24 1otw h ARG 177 N 1.04 0.76 -0.07 1.51 2.43 -0.71 -3.09 114.38 116.25 1otw h ARG 177 Ca 0.46 -0.35 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1otw h ARG 177 Cb 0.36 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1otw h ARG 177 CO -0.21 0.97 -0.10 0.66 -1.51 0.00 0.00 179.97 179.77 1otw h SER 178 N 0.55 0.09 1.58 -3.80 4.64 0.66 -2.25 113.55 115.02 1otw h SER 178 Ca 0.07 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1otw h SER 178 Cb 0.76 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1otw h SER 178 CO 0.06 0.21 0.00 0.03 -0.87 0.00 0.00 176.83 176.25 1otw h ARG 179 N 0.10 0.00 -0.98 4.77 2.47 -1.33 -2.99 114.38 116.42 1otw h ARG 179 Ca 0.02 0.00 0.19 0.00 -1.26 0.00 0.00 59.98 58.93 1otw h ARG 179 Cb 0.24 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.47 1otw h ARG 179 CO 0.01 0.00 0.61 -0.07 0.56 0.00 0.00 179.97 181.09 1otw h LEU 180 N 0.00 0.70 0.02 3.04 3.38 -1.45 0.93 115.31 121.93 1otw h LEU 180 Ca 0.00 0.08 -0.37 0.00 0.09 0.00 0.00 57.88 57.68 1otw h LEU 180 Cb 0.79 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 1otw h LEU 180 CO 0.00 0.27 -2.06 -1.54 0.09 0.00 0.00 178.44 175.20 1otw n SER 181 N -4.68 1.95 -0.32 -0.43 3.41 -1.21 -3.94 113.62 108.40 1otw n SER 181 Ca 0.22 0.28 0.07 0.00 -0.26 0.00 0.00 58.87 59.17 1otw n SER 181 Cb 0.59 -0.81 0.23 0.00 -0.26 0.00 0.00 64.21 63.95 1otw n SER 181 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1otw h GLN 182 N -0.71 0.78 -0.17 4.33 4.20 -1.48 0.11 115.11 122.18 1otw h GLN 182 Ca -0.54 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.08 1otw h GLN 182 Cb 1.62 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 29.21 1otw h GLN 182 CO -0.24 0.52 -0.10 0.00 -0.67 0.00 0.00 178.83 178.34 1otw h ALA 183 N 1.54 1.51 -0.00 3.87 0.00 -1.00 -0.24 119.26 124.94 1otw h ALA 183 Ca 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1otw h ALA 183 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1otw h ALA 183 CO -0.30 0.35 -0.02 -0.91 0.00 0.00 0.00 179.25 178.36 1otw h ASN 184 N 0.26 0.02 -0.50 0.00 2.35 -1.15 -2.10 115.58 114.46 1otw h ASN 184 Ca 0.05 -0.74 0.10 0.00 -0.55 0.00 0.00 56.30 55.16 1otw h ASN 184 Cb 0.35 -0.01 -0.10 0.00 0.05 0.00 0.00 38.32 38.61 1otw h ASN 184 CO 0.02 0.76 -0.23 -0.09 -1.65 0.00 0.00 177.43 176.24 1otw h ARG 185 N -0.71 -0.11 -0.77 0.81 2.43 -0.77 -2.31 114.38 112.95 1otw h ARG 185 Ca -0.00 0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.35 1otw h ARG 185 Cb 0.76 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.22 1otw h ARG 185 CO 0.00 -0.07 0.17 -0.44 -1.51 0.00 0.00 179.97 178.12 1otw h ASP 186 N -0.11 -0.04 1.47 -3.80 5.19 -0.91 -2.17 116.42 116.05 1otw h ASP 186 Ca 0.23 0.16 -0.09 0.00 -0.62 0.00 0.00 57.03 56.71 1otw h ASP 186 Cb 0.48 0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.21 1otw h ASP 186 CO -0.58 -0.08 -0.54 1.62 -3.12 0.00 0.00 179.24 176.55 1otw h VAL 187 N 0.24 0.68 0.18 -1.35 3.04 -0.84 -2.03 116.25 116.16 1otw h VAL 187 Ca 0.45 -1.98 0.01 0.00 -1.01 0.00 0.00 66.70 64.16 1otw h VAL 187 Cb 0.81 2.30 -0.03 0.00 -2.01 0.00 0.00 31.29 32.36 1otw h VAL 187 CO -0.57 0.39 -0.24 -0.33 -1.01 0.00 0.00 177.57 175.81 1otw h GLU 188 N 0.00 -0.47 -0.29 4.17 5.08 -1.00 0.20 114.58 122.28 1otw h GLU 188 Ca -0.02 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1otw h GLU 188 Cb 1.34 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 1otw h GLU 188 CO 0.05 -0.31 0.10 1.25 -1.00 0.00 0.00 179.01 179.10 1otw h HIS 189 N -0.48 0.46 -0.49 4.33 2.76 -1.49 -2.59 115.15 117.64 1otw h HIS 189 Ca 0.01 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1otw h HIS 189 Cb 0.48 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 1otw h HIS 189 CO -0.20 0.48 0.30 0.78 -1.30 0.00 0.00 177.93 177.99 1otw h GLY 190 N 0.31 0.70 0.96 5.26 0.00 -1.02 -0.48 103.07 108.80 1otw h GLY 190 Ca 0.09 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1otw h GLY 190 CO -0.00 0.27 0.22 1.41 0.00 0.00 0.00 176.54 178.44 1otw h LEU 191 N 0.65 0.36 -0.74 3.11 3.38 -0.65 -0.12 115.31 121.30 1otw h LEU 191 Ca 0.18 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.24 1otw h LEU 191 Cb -0.03 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.56 1otw h LEU 191 CO -0.03 0.26 0.37 0.00 0.09 0.00 0.00 178.44 179.13 1otw h ALA 192 N 1.14 1.04 -0.36 1.53 0.00 -1.03 -0.53 119.26 121.05 1otw h ALA 192 Ca 0.13 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1otw h ALA 192 Cb -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1otw h ALA 192 CO -0.04 -0.05 0.07 -0.07 0.00 0.00 0.00 179.25 179.16 1otw h LEU 193 N 0.61 0.55 -0.90 0.00 3.38 -0.59 -2.10 115.31 116.27 1otw h LEU 193 Ca 0.37 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1otw h LEU 193 Cb 0.41 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1otw h LEU 193 CO -0.28 0.66 0.38 0.00 0.09 0.00 0.00 178.44 179.28 1otw h ALA 194 N 0.92 1.14 -0.06 1.53 0.00 -0.55 -1.33 119.26 120.92 1otw h ALA 194 Ca 0.11 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1otw h ALA 194 Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1otw h ALA 194 CO 0.00 0.65 -0.77 0.87 0.00 0.00 0.00 179.25 180.00 1otw h LYS 195 N 1.16 0.37 0.01 0.00 1.57 -1.00 0.82 116.57 119.50 1otw h LYS 195 Ca 0.28 -0.32 -0.24 0.00 -1.87 0.00 0.00 60.65 58.50 1otw h LYS 195 Cb 0.13 0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.52 1otw h LYS 195 CO -0.03 0.97 -0.99 0.00 -0.57 0.00 0.00 179.45 178.83 1otw h ALA 196 N 0.93 0.29 0.16 3.86 0.00 -1.30 -3.38 119.26 119.82 1otw h ALA 196 Ca -0.04 -0.72 -0.32 0.00 0.00 0.00 0.00 54.91 53.84 1otw h ALA 196 Cb 1.35 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.15 1otw h ALA 196 CO 0.13 0.79 -1.60 -0.92 0.00 0.00 0.00 179.25 177.65 1otw h TYR 197 N 0.26 0.62 -0.78 0.00 3.20 -1.17 -3.39 116.97 115.70 1otw h TYR 197 Ca -0.10 -0.45 -0.73 0.00 3.14 0.00 0.00 58.73 60.59 1otw h TYR 197 Cb 1.63 -0.02 -0.10 0.00 1.54 0.00 0.00 36.73 39.78 1otw h TYR 197 CO 0.07 1.63 2.56 0.00 -1.64 0.00 0.00 178.16 180.78 1otw n ASP 199 N 4.54 3.85 -4.17 0.00 5.75 -1.26 -4.59 116.55 120.67 1otw n ASP 199 Ca 0.48 -2.22 -0.18 0.00 -0.01 0.00 0.00 54.79 52.85 1otw n ASP 199 Cb 0.36 -0.44 -0.10 0.00 -1.03 0.00 0.00 41.12 39.92 1otw n ASP 199 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1otw s SER 200 N -1.07 1.54 0.08 -1.12 1.04 -1.26 -5.00 113.70 107.91 1otw s SER 200 Ca 0.41 -1.48 -0.17 0.00 0.48 0.00 0.00 55.95 55.18 1otw s SER 200 Cb 0.24 0.27 -0.11 0.00 0.10 0.00 0.00 66.02 66.53 1otw s SER 200 CO 0.23 -0.81 1.40 0.00 0.98 0.00 0.00 173.24 175.04 1otw h ALA 201 N 2.24 0.34 -0.62 5.32 0.00 -1.92 -1.98 119.26 122.64 1otw h ALA 201 Ca -0.36 -0.37 0.08 0.00 0.00 0.00 0.00 54.91 54.27 1otw h ALA 201 Cb 1.25 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 1otw h ALA 201 CO 0.57 0.30 0.28 0.93 0.00 0.00 0.00 179.25 181.33 1otw h GLU 202 N 0.27 0.48 -0.10 0.00 4.39 -1.96 -1.40 114.58 116.26 1otw h GLU 202 Ca 0.04 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.52 1otw h GLU 202 Cb 0.77 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1otw h GLU 202 CO 0.06 0.32 -0.72 0.87 -1.16 0.00 0.00 179.01 178.37 1otw h LYS 203 N 0.49 0.49 -0.55 2.33 1.57 -1.91 -1.53 116.57 117.47 1otw h LYS 203 Ca 0.30 -0.40 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1otw h LYS 203 Cb 0.32 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1otw h LYS 203 CO -0.26 1.03 0.11 1.96 -0.57 0.00 0.00 179.45 181.72 1otw h GLN 204 N 0.34 0.90 -0.42 3.15 4.20 -1.00 0.41 115.11 122.70 1otw h GLN 204 Ca -0.03 -0.23 -0.13 0.00 0.06 0.00 0.00 58.65 58.32 1otw h GLN 204 Cb 1.31 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 1otw h GLN 204 CO 0.13 0.86 -0.27 -0.91 -0.67 0.00 0.00 178.83 177.97 1otw h ASN 205 N 0.80 0.92 -0.36 1.46 2.35 -1.19 -1.96 115.58 117.60 1otw h ASN 205 Ca 0.17 -0.36 -0.08 0.00 -0.55 0.00 0.00 56.30 55.47 1otw h ASN 205 Cb 0.38 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1otw h ASN 205 CO 0.01 1.13 -0.06 -0.09 -1.65 0.00 0.00 177.43 176.76 1otw h ARG 206 N 0.76 0.77 -0.74 0.81 2.43 -1.03 -2.06 114.38 115.32 1otw h ARG 206 Ca 0.09 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 58.96 1otw h ARG 206 Cb 0.82 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 1otw h ARG 206 CO 0.07 0.82 0.21 1.98 -1.51 0.00 0.00 179.97 181.55 1otw h MET 207 N 0.71 1.16 -0.42 0.20 4.05 -0.74 -0.80 114.93 119.09 1otw h MET 207 Ca 0.13 -0.26 -0.08 0.00 -0.28 0.00 0.00 59.70 59.21 1otw h MET 207 Cb 0.53 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 1otw h MET 207 CO 0.03 1.00 -0.06 -0.07 0.23 0.00 0.00 176.91 178.03 1otw h LEU 208 N 1.11 0.70 -0.89 3.39 3.38 -0.87 0.18 115.31 122.31 1otw h LEU 208 Ca 0.24 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1otw h LEU 208 Cb 0.33 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1otw h LEU 208 CO -0.00 0.81 -0.55 -0.08 0.09 0.00 0.00 178.44 178.71 1otw h GLU 209 N 0.67 0.02 -0.19 1.13 4.57 -1.05 -1.14 114.58 118.60 1otw h GLU 209 Ca 0.12 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.24 1otw h GLU 209 Cb 0.50 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1otw h GLU 209 CO 0.03 0.57 -0.07 0.82 -1.18 0.00 0.00 179.01 179.17 1otw h ILE 210 N 0.02 1.30 -0.49 2.32 2.04 0.40 -1.18 117.51 121.91 1otw h ILE 210 Ca -0.00 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1otw h ILE 210 Cb 0.97 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 1otw h ILE 210 CO 0.07 0.33 0.28 0.25 0.00 0.00 0.00 178.15 179.08 1otw h LEU 211 N 0.08 0.59 -0.34 1.44 5.85 -0.65 -0.98 115.31 121.30 1otw h LEU 211 Ca 0.04 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1otw h LEU 211 Cb 0.53 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1otw h LEU 211 CO 0.02 0.47 0.08 -0.61 -0.34 0.00 0.00 178.44 178.06 1otw h GLN 212 N 0.68 0.55 -0.53 1.25 5.75 -1.05 -1.01 115.11 120.74 1otw h GLN 212 Ca 0.18 -0.13 0.10 0.00 -0.15 0.00 0.00 58.65 58.64 1otw h GLN 212 Cb 0.00 -0.07 -0.08 0.00 1.07 0.00 0.00 27.48 28.40 1otw h GLN 212 CO -0.03 0.61 0.06 0.35 -2.65 0.00 0.00 178.83 177.17 1otw h PHE 213 N 0.39 0.08 -0.71 3.99 3.57 -0.64 0.21 116.94 123.84 1otw h PHE 213 Ca 0.11 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.67 1otw h PHE 213 Cb 0.31 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 1otw h PHE 213 CO 0.02 -0.06 0.44 -0.22 -2.23 0.00 0.00 178.31 176.25 1otw h LYS 214 N 0.19 0.82 -0.61 1.11 1.63 -0.82 -1.59 116.57 117.30 1otw h LYS 214 Ca 0.27 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.94 1otw h LYS 214 Cb 0.39 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 1otw h LYS 214 CO -0.39 0.54 0.08 -0.07 -3.45 0.00 0.00 179.45 176.17 1otw h LEU 215 N 0.85 0.96 -1.36 5.20 3.38 -0.29 -2.20 115.31 121.85 1otw h LEU 215 Ca 0.29 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1otw h LEU 215 Cb 0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1otw h LEU 215 CO -0.12 0.97 -0.06 0.44 0.09 0.00 0.00 178.44 179.76 1otw h ASP 216 N 0.94 0.33 0.08 -0.43 3.32 -0.13 -2.32 116.42 118.22 1otw h ASP 216 Ca 0.19 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1otw h ASP 216 Cb 0.43 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1otw h ASP 216 CO 0.01 0.44 -0.04 0.40 -1.72 0.00 0.00 179.24 178.33 1otw h ILE 217 N 0.34 0.91 -0.35 0.35 2.04 -0.68 -0.28 117.51 119.84 1otw h ILE 217 Ca 0.07 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.86 1otw h ILE 217 Cb 0.33 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1otw h ILE 217 CO 0.01 0.00 -0.09 -0.07 0.00 0.00 0.00 178.15 178.01 1otw h LEU 218 N -0.12 0.57 -0.16 1.44 3.38 -1.34 -1.28 115.31 117.80 1otw h LEU 218 Ca -0.01 -0.14 -0.23 0.00 0.09 0.00 0.00 57.88 57.59 1otw h LEU 218 Cb 0.09 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1otw h LEU 218 CO 0.02 0.70 -0.82 -0.25 0.09 0.00 0.00 178.44 178.18 1otw h TRP 219 N 0.54 1.02 0.00 1.13 2.91 -1.34 -3.07 115.95 117.14 1otw h TRP 219 Ca 0.10 -0.47 -0.09 0.00 1.13 0.00 0.00 58.89 59.57 1otw h TRP 219 Cb 0.48 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 28.97 1otw h TRP 219 CO 0.02 1.30 -0.41 0.77 -1.03 0.00 0.00 178.44 179.08 1otw h SER 220 N 0.50 0.00 -0.71 2.65 0.02 -0.68 -1.24 113.55 114.10 1otw h SER 220 Ca -0.06 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1otw h SER 220 Cb 1.45 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.95 1otw h SER 220 CO 0.16 0.41 0.46 0.24 -1.14 0.00 0.00 176.83 176.97 1otw h MET 221 N 0.00 0.91 0.00 3.45 2.86 -1.18 -2.14 114.93 118.83 1otw h MET 221 Ca -0.00 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.44 1otw h MET 221 Cb 0.84 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1otw h MET 221 CO 0.05 0.60 -0.66 -0.07 1.06 0.00 0.00 176.91 177.89 1otw h LEU 222 N 0.94 0.00 -0.48 1.22 3.38 -1.36 -2.60 115.31 116.41 1otw h LEU 222 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1otw h LEU 222 Cb -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1otw h LEU 222 CO -0.07 0.66 0.31 0.44 0.09 0.00 0.00 178.44 179.87 1otw h ASP 223 N 0.00 0.55 -0.94 -0.43 3.32 -0.81 0.76 116.42 118.88 1otw h ASP 223 Ca -0.01 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1otw h ASP 223 Cb 1.35 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 1otw h ASP 223 CO 0.09 0.41 0.57 0.00 -1.72 0.00 0.00 179.24 178.59 1otw h ALA 224 N 1.17 1.19 -0.22 3.45 0.00 -1.29 -1.50 119.26 122.05 1otw h ALA 224 Ca 0.17 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1otw h ALA 224 Cb -0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 1otw h ALA 224 CO -0.04 0.64 -0.36 0.52 0.00 0.00 0.00 179.25 180.01 1otw h MET 225 N 1.29 0.49 0.29 0.00 2.86 -0.94 -2.50 114.93 116.41 1otw h MET 225 Ca 0.34 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1otw h MET 225 Cb -0.07 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1otw h MET 225 CO -0.06 0.78 -0.15 1.15 1.06 0.00 0.00 176.91 179.68 1otw h THR 226 N 0.41 0.69 -0.73 2.22 2.02 -0.31 0.61 112.91 117.82 1otw h THR 226 Ca 0.04 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.29 1otw h THR 226 Cb 0.83 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 1otw h THR 226 CO 0.07 0.00 0.42 0.24 0.37 0.00 0.00 175.52 176.62 1otw h MET 227 N -0.41 0.74 0.07 6.66 2.86 -1.17 -0.43 114.93 123.25 1otw h MET 227 Ca -0.03 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 1otw h MET 227 Cb 0.32 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 31.83 1otw h MET 227 CO 0.05 0.49 -0.44 0.00 1.06 0.00 0.00 176.91 178.07 1otw h ALA 228 N 1.37 -0.04 0.00 6.32 0.00 -1.34 0.23 119.26 125.81 1otw h ALA 228 Ca 0.33 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1otw h ALA 228 Cb 0.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1otw h ALA 228 CO -0.19 0.20 -1.02 0.66 0.00 0.00 0.00 179.25 178.91 1otw n TYR 229 N -4.35 0.00 -0.05 0.00 4.02 0.20 -3.90 117.16 113.07 1otw n TYR 229 Ca -0.12 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.71 1otw n TYR 229 Cb 0.65 -0.12 -0.07 0.00 -0.02 0.00 0.00 39.34 39.78 1otw n TYR 229 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1otw n ALA 230 N -1.57 1.75 -0.23 -0.72 0.00 -0.27 -4.71 120.51 114.76 1otw n ALA 230 Ca 0.01 -0.64 0.06 0.00 0.00 0.00 0.00 53.44 52.87 1otw n ALA 230 Cb 0.28 0.07 0.17 0.00 0.00 0.00 0.00 19.45 19.97 1otw n ALA 230 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1otw n LEU 231 N -2.48 3.05 -4.05 0.00 4.77 -0.58 -4.97 117.00 112.73 1otw n LEU 231 Ca -0.18 -2.05 -0.34 0.00 -0.03 0.00 0.00 56.01 53.42 1otw n LEU 231 Cb 0.81 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1otw n LEU 231 CO 0.19 0.75 -0.26 0.00 -1.33 0.00 0.00 177.39 176.74 1otw n GLN 232 N 0.55 -1.43 -2.71 3.23 1.13 -1.22 -4.91 117.38 112.03 1otw n GLN 232 Ca 0.13 0.23 -0.07 0.00 -1.94 0.00 0.00 57.00 55.35 1otw n GLN 232 Cb 0.46 -3.64 0.04 0.00 0.11 0.00 0.00 30.24 27.21 1otw n GLN 232 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1otw n ARG 233 N -4.60 1.46 -1.01 -1.09 1.74 0.80 -5.02 116.66 108.93 1otw n ARG 233 Ca -0.23 -3.39 -0.29 0.00 -0.77 0.00 0.00 57.85 53.18 1otw n ARG 233 Cb 0.64 -1.42 0.20 0.00 -1.02 0.00 0.00 32.46 30.86 1otw n ARG 233 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1otw s PRO 234 N -3.38 0.08 0.21 5.56 0.04 -1.23 -4.25 135.00 132.03 1otw s PRO 234 Ca 0.28 0.60 -0.32 0.00 0.04 0.00 0.00 61.00 61.60 1otw s PRO 234 Cb 0.41 -1.69 -0.14 0.00 0.04 0.00 0.00 34.50 33.12 1otw s PRO 234 CO 0.01 -2.99 1.47 -2.30 0.04 0.00 0.00 177.00 173.22 1otw n PRO 235 N -4.37 2.07 -1.57 0.56 -0.02 -1.26 -2.76 135.00 127.65 1otw n PRO 235 Ca 0.05 0.74 -0.11 0.00 -2.02 0.00 0.00 63.50 62.16 1otw n PRO 235 Cb 0.56 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 1otw n PRO 235 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1otw n TYR 236 N 2.41 -0.15 0.27 6.00 4.02 -1.26 -4.75 117.16 123.71 1otw n TYR 236 Ca 0.13 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.15 1otw n TYR 236 Cb 0.30 -2.21 0.76 0.00 -0.02 0.00 0.00 39.34 38.18 1otw n TYR 236 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 176.86 176.97 1otw h HIS 237 N 0.00 0.00 0.00 -0.72 2.07 -1.66 -1.53 115.15 113.31 1otw h HIS 237 Ca -0.23 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.29 1otw h HIS 237 Cb 0.85 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.83 1otw h HIS 237 CO 0.30 0.10 0.00 0.25 -3.07 0.00 0.00 177.93 175.51 1otw n THR 238 N -3.68 0.20 -0.01 6.12 -2.24 -1.26 -4.31 114.28 109.11 1otw n THR 238 Ca -0.02 0.05 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1otw n THR 238 Cb 0.21 -0.62 -0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1otw n THR 238 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1otw n VAL 239 N -1.35 0.06 -3.85 2.28 0.31 -0.65 -5.09 118.33 110.04 1otw n VAL 239 Ca 0.10 -0.02 -0.10 0.00 -0.01 0.00 0.00 64.34 64.32 1otw n VAL 239 Cb 0.23 -0.83 -0.08 0.00 -0.91 0.00 0.00 33.84 32.25 1otw n VAL 239 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1otw s THR 240 N -2.02 0.12 -0.70 2.52 -4.23 -0.78 -5.02 115.64 105.53 1otw s THR 240 Ca -0.01 -1.01 0.15 0.00 -1.18 0.00 0.00 61.69 59.64 1otw s THR 240 Cb 0.00 -1.09 0.49 0.00 1.34 0.00 0.00 72.50 73.24 1otw s THR 240 CO 0.02 -0.55 1.41 -0.90 -0.54 0.00 0.00 174.62 174.06 1otw n ASP 241 N 0.37 3.73 -4.82 3.99 5.68 -1.26 -4.07 116.55 120.17 1otw n ASP 241 Ca -0.17 -2.48 -0.33 0.00 -0.50 0.00 0.00 54.79 51.31 1otw n ASP 241 Cb 0.60 -0.43 -0.07 0.00 -1.14 0.00 0.00 41.12 40.08 1otw n ASP 241 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1otw s LYS 242 N -1.87 4.23 -0.09 0.11 1.02 -1.26 -5.03 119.74 116.84 1otw s LYS 242 Ca 0.37 1.10 -0.30 0.00 0.02 0.00 0.00 55.97 57.17 1otw s LYS 242 Cb 0.25 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1otw s LYS 242 CO 0.15 -0.01 1.41 0.00 -0.92 0.00 0.00 175.35 175.99 1otw s ALA 243 N -2.15 3.63 0.00 5.17 0.00 -1.26 -4.88 121.76 122.26 1otw s ALA 243 Ca 0.61 0.70 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1otw s ALA 243 Cb -0.09 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1otw s ALA 243 CO 0.14 -1.18 0.69 0.00 0.00 0.00 0.00 175.76 175.41 1otw n ALA 244 N 6.50 1.75 -1.63 0.00 0.00 -1.26 -5.06 120.51 120.80 1otw n ALA 244 Ca 0.15 -0.69 -0.31 0.00 0.00 0.00 0.00 53.44 52.58 1otw n ALA 244 Cb 0.44 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.92 1otw n ALA 244 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1otw s TRP 245 N -0.48 3.15 0.48 0.00 -2.14 -1.26 -4.99 118.94 113.70 1otw s TRP 245 Ca 0.00 1.43 -0.24 0.00 2.66 0.00 0.00 56.10 59.96 1otw s TRP 245 Cb 0.00 -2.89 -0.07 0.00 -3.10 0.00 0.00 33.47 27.41 1otw s TRP 245 CO 0.00 -1.11 1.38 -3.38 -2.66 0.00 0.00 176.95 171.18 1otw s HIS 246 N -2.89 2.43 -0.09 1.66 -3.43 -1.26 -4.98 115.29 106.73 1otw s HIS 246 Ca 0.59 1.33 0.13 0.00 -0.80 0.00 0.00 55.06 56.31 1otw s HIS 246 Cb -0.14 -3.83 0.23 0.00 -1.43 0.00 0.00 32.58 27.40 1otw s HIS 246 CO 0.49 -2.80 1.11 0.25 -2.00 0.00 0.00 174.74 171.80 1otw n THR 247 N -0.51 1.28 -4.35 -5.38 -2.24 -1.26 -4.84 114.28 96.98 1otw n THR 247 Ca 0.07 -1.64 -0.19 0.00 -2.27 0.00 0.00 64.05 60.02 1otw n THR 247 Cb 0.43 0.03 -0.15 0.00 -2.10 0.00 0.00 70.33 68.55 1otw n THR 247 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1otw s THR 248 N -1.94 0.70 -0.94 4.28 -4.23 -1.26 -4.80 115.64 107.45 1otw s THR 248 Ca 0.23 -0.36 -0.24 0.00 -1.18 0.00 0.00 61.69 60.15 1otw s THR 248 Cb 0.21 -0.60 0.01 0.00 1.34 0.00 0.00 72.50 73.47 1otw s THR 248 CO 0.00 0.21 1.63 -0.13 -0.54 0.00 0.00 174.62 175.79 1otw s ARG 249 N -0.08 3.15 0.57 3.99 0.52 -1.26 -4.84 118.95 121.00 1otw s ARG 249 Ca 0.02 -0.69 0.27 0.00 -0.52 0.00 0.00 55.73 54.81 1otw s ARG 249 Cb -0.05 -5.13 1.69 0.00 0.52 0.00 0.00 34.95 31.98 1otw s ARG 249 CO -0.00 -2.64 2.22 -0.07 0.02 0.00 0.00 175.30 174.83 1otw h LEU 250 N 14.78 0.00 -0.12 2.53 3.38 -1.97 -2.11 115.31 131.79 1otw h LEU 250 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1otw h LEU 250 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1otw h LEU 250 CO 1.33 0.01 -0.56 1.33 0.09 0.00 0.00 178.44 180.64 1otw n VAL 251 N -3.97 0.00 -0.08 1.22 0.24 -1.26 -4.22 118.33 110.26 1otw n VAL 251 Ca -0.03 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.34 62.15 1otw n VAL 251 Cb 0.10 0.46 -0.11 0.00 -1.47 0.00 0.00 33.84 32.82 1otw n VAL 251 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1otw n LEU 252 N -1.31 0.85 -4.07 1.34 4.77 -0.85 -5.05 117.00 112.69 1otw n LEU 252 Ca 0.06 -0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 1otw n LEU 252 Cb 0.34 0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.40 1otw n LEU 252 CO 0.35 0.49 -0.36 -1.83 -1.33 0.00 0.00 177.39 174.71 1otw s GLU 253 N -2.36 0.55 0.00 3.23 -1.05 -0.87 -5.11 118.70 113.09 1otw s GLU 253 Ca -0.12 -1.10 0.32 0.00 -0.15 0.00 0.00 54.97 53.92 1otw s GLU 253 Cb 0.05 0.18 1.89 0.00 -0.44 0.00 0.00 34.13 35.81 1otw s GLU 253 CO 0.56 -0.09 2.22 1.58 0.95 0.00 0.00 175.26 180.47