#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ohw h ASP 4 N 0.00 0.14 0.05 -1.84 3.32 -2.06 0.35 116.42 116.38 2ohw h ASP 4 Ca 0.00 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2ohw h ASP 4 Cb 0.00 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2ohw h ASP 4 CO 0.00 0.09 -0.12 0.50 -1.72 0.00 0.00 179.24 177.99 2ohw h LYS 5 N 0.16 0.17 -0.17 3.56 1.63 -2.06 -1.85 116.57 118.03 2ohw h LYS 5 Ca 0.13 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 59.71 2ohw h LYS 5 Cb 0.32 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 31.93 2ohw h LYS 5 CO -0.02 0.31 -0.60 1.98 -3.45 0.00 0.00 179.45 177.67 2ohw h MET 6 N 0.17 0.70 -0.92 1.90 4.05 -1.38 -1.77 114.93 117.69 2ohw h MET 6 Ca 0.04 -0.53 0.02 0.00 -0.28 0.00 0.00 59.70 58.95 2ohw h MET 6 Cb 0.33 0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.18 2ohw h MET 6 CO 0.02 1.15 0.60 -0.44 0.23 0.00 0.00 176.91 178.47 2ohw h ASP 7 N 0.40 1.02 -0.31 1.39 3.32 -1.25 -0.77 116.42 120.21 2ohw h ASP 7 Ca -0.03 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 2ohw h ASP 7 Cb 1.23 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2ohw h ASP 7 CO 0.13 0.72 0.02 0.25 -1.72 0.00 0.00 179.24 178.63 2ohw h LEU 8 N 1.19 0.53 -0.50 1.55 5.85 -1.21 0.90 115.31 123.61 2ohw h LEU 8 Ca 0.35 -0.29 0.10 0.00 0.84 0.00 0.00 57.88 58.88 2ohw h LEU 8 Cb -0.06 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 40.74 2ohw h LEU 8 CO -0.09 0.69 -0.01 0.22 -0.34 0.00 0.00 178.44 178.91 2ohw h TYR 9 N 0.35 -0.06 -0.01 1.25 3.20 -0.80 -0.82 116.97 120.09 2ohw h TYR 9 Ca 0.09 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2ohw h TYR 9 Cb 0.41 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 2ohw h TYR 9 CO 0.03 -0.13 0.00 -0.07 -1.64 0.00 0.00 178.16 176.35 2ohw h LEU 10 N 0.10 0.02 -0.84 2.82 3.38 -0.97 0.20 115.31 120.03 2ohw h LEU 10 Ca 0.25 -0.28 0.15 0.00 0.09 0.00 0.00 57.88 58.09 2ohw h LEU 10 Cb 0.39 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.03 2ohw h LEU 10 CO -0.43 0.30 0.41 1.56 0.09 0.00 0.00 178.44 180.37 2ohw h GLN 11 N -0.26 0.56 -0.22 1.13 4.20 -0.53 -1.82 115.11 118.17 2ohw h GLN 11 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2ohw h GLN 11 Cb 0.29 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2ohw h GLN 11 CO 0.00 0.37 0.00 1.04 -0.67 0.00 0.00 178.83 179.57 2ohw n GLN 12 N -4.90 1.63 -0.16 1.46 6.02 -0.34 -4.92 117.38 116.18 2ohw n GLN 12 Ca 0.17 -0.97 0.00 0.00 -0.01 0.00 0.00 57.00 56.19 2ohw n GLN 12 Cb 0.45 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 30.41 2ohw n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ohw n GLY 13 N 1.01 0.92 2.68 1.08 0.00 -0.68 -4.51 105.19 105.68 2ohw n GLY 13 Ca 0.13 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2ohw n GLY 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ohw n MET 14 N -2.16 -4.53 -2.59 1.61 2.81 0.04 -4.48 117.12 107.82 2ohw n MET 14 Ca 0.00 0.47 -0.42 0.00 -1.81 0.00 0.00 57.70 55.95 2ohw n MET 14 Cb 0.00 -4.43 -0.03 0.00 -0.71 0.00 0.00 33.22 28.04 2ohw n MET 14 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2ohw s TYR 15 N -3.18 3.61 0.00 2.03 2.02 -1.26 -4.85 117.35 115.72 2ohw s TYR 15 Ca 0.32 1.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.60 2ohw s TYR 15 Cb -0.14 -3.23 0.00 0.00 -0.40 0.00 0.00 41.96 38.19 2ohw s TYR 15 CO 0.42 -0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.35 2ohw n GLY 16 N 2.75 -2.03 3.93 0.71 0.00 -1.26 -4.98 105.19 104.31 2ohw n GLY 16 Ca 0.06 -1.40 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 2ohw n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ohw s PRO 17 N -0.06 2.98 0.64 1.61 0.04 -1.26 -5.03 135.00 133.92 2ohw s PRO 17 Ca 0.00 -0.14 0.06 0.00 0.04 0.00 0.00 61.00 60.96 2ohw s PRO 17 Cb 0.00 -2.35 0.11 0.00 0.04 0.00 0.00 34.50 32.30 2ohw s PRO 17 CO 0.00 -0.57 0.89 -0.51 0.04 0.00 0.00 177.00 176.85 2ohw s LEU 18 N -4.86 3.02 0.17 -3.56 1.43 -1.26 -5.04 118.68 108.57 2ohw s LEU 18 Ca 0.52 -0.72 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 2ohw s LEU 18 Cb -0.10 -1.65 0.06 0.00 0.03 0.00 0.00 46.19 44.53 2ohw s LEU 18 CO 0.43 -1.60 1.65 -0.08 0.23 0.00 0.00 176.35 176.97 2ohw h GLU 19 N -0.13 1.01 -4.39 1.70 4.81 -1.99 -3.46 114.58 112.12 2ohw h GLU 19 Ca -0.31 -0.30 -0.18 0.00 -0.13 0.00 0.00 59.36 58.44 2ohw h GLU 19 Cb 1.28 -0.10 -0.15 0.00 0.63 0.00 0.00 28.75 30.41 2ohw h GLU 19 CO 0.39 0.98 -0.60 0.95 -0.73 0.00 0.00 179.01 180.00 2ohw s THR 20 N -5.11 0.08 0.13 0.32 -4.23 -1.26 -5.07 115.64 100.50 2ohw s THR 20 Ca -0.12 -1.87 -0.20 0.00 -1.18 0.00 0.00 61.69 58.32 2ohw s THR 20 Cb 0.13 -2.10 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 2ohw s THR 20 CO 0.84 -0.36 1.71 0.11 -0.54 0.00 0.00 174.62 176.37 2ohw h LYS 21 N 2.78 0.02 -0.76 3.99 1.57 -2.00 -2.64 116.57 119.53 2ohw h LYS 21 Ca -0.35 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.50 2ohw h LYS 21 Cb 1.21 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 2ohw h LYS 21 CO 0.57 0.01 0.50 -1.35 -0.57 0.00 0.00 179.45 178.61 2ohw h PRO 22 N 0.02 0.76 -0.56 3.15 0.11 -1.99 0.15 132.00 133.65 2ohw h PRO 22 Ca 0.10 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 2ohw h PRO 22 Cb 0.14 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 2ohw h PRO 22 CO -0.19 0.51 0.34 -0.44 -0.21 0.00 0.00 178.00 178.01 2ohw h ASP 23 N 0.79 0.67 -0.22 -2.05 3.32 -1.92 0.50 116.42 117.51 2ohw h ASP 23 Ca 0.33 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 2ohw h ASP 23 Cb 0.28 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2ohw h ASP 23 CO -0.12 0.53 0.05 -0.33 -1.72 0.00 0.00 179.24 177.65 2ohw h GLU 24 N 0.76 0.36 -0.76 3.56 5.08 -0.91 -2.43 114.58 120.23 2ohw h GLU 24 Ca 0.20 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2ohw h GLU 24 Cb -0.02 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2ohw h GLU 24 CO -0.04 0.47 0.50 0.00 -1.00 0.00 0.00 179.01 178.94 2ohw h ARG 25 N 0.18 1.01 -0.11 2.33 3.08 -0.73 0.13 114.38 120.27 2ohw h ARG 25 Ca 0.07 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 2ohw h ARG 25 Cb 0.28 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2ohw h ARG 25 CO 0.00 0.67 -0.27 0.45 -1.07 0.00 0.00 179.97 179.75 2ohw h HIS 26 N 1.04 0.22 0.09 3.04 3.86 -0.71 0.13 115.15 122.80 2ohw h HIS 26 Ca 0.28 -0.04 -0.16 0.00 -1.16 0.00 0.00 60.37 59.28 2ohw h HIS 26 Cb -0.11 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.31 2ohw h HIS 26 CO 0.00 0.46 -0.79 1.25 0.86 0.00 0.00 177.93 179.71 2ohw h LEU 27 N 0.18 0.28 -3.77 2.43 5.85 -0.86 -3.39 115.31 116.03 2ohw h LEU 27 Ca 0.03 -0.90 -0.51 0.00 0.84 0.00 0.00 57.88 57.33 2ohw h LEU 27 Cb 0.58 -0.09 -0.25 0.00 0.37 0.00 0.00 40.66 41.27 2ohw h LEU 27 CO 0.04 1.36 0.66 0.49 -0.34 0.00 0.00 178.44 180.65 2ohw n PHE 28 N -4.23 2.66 -3.33 1.25 3.72 0.40 -4.63 117.46 113.30 2ohw n PHE 28 Ca -0.17 -2.25 -0.24 0.00 -0.05 0.00 0.00 57.45 54.74 2ohw n PHE 28 Cb 0.74 -1.10 0.03 0.00 -0.94 0.00 0.00 39.48 38.20 2ohw n PHE 28 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2ohw n LEU 29 N -0.68 -2.42 0.00 4.37 4.77 -1.14 -1.85 117.00 120.05 2ohw n LEU 29 Ca 0.52 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2ohw n LEU 29 Cb 1.00 -2.67 0.00 0.00 -2.33 0.00 0.00 43.42 39.42 2ohw n LEU 29 CO 0.60 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 2ohw n GLY 30 N -1.51 0.34 3.86 -0.72 0.00 0.43 -4.98 105.19 102.61 2ohw n GLY 30 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 2ohw n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ohw s SER 31 N -2.24 6.68 0.40 1.61 0.15 -0.77 -4.74 113.70 114.79 2ohw s SER 31 Ca 0.00 1.10 -0.24 0.00 0.70 0.00 0.00 55.95 57.51 2ohw s SER 31 Cb 0.00 -2.30 -0.09 0.00 -1.71 0.00 0.00 66.02 61.92 2ohw s SER 31 CO 0.00 -0.16 1.04 -0.76 1.20 0.00 0.00 173.24 174.56 2ohw s LEU 32 N -3.00 4.13 0.31 3.45 1.43 -1.26 -3.25 118.68 120.49 2ohw s LEU 32 Ca 0.51 2.02 0.04 0.00 -1.03 0.00 0.00 54.13 55.67 2ohw s LEU 32 Cb -0.11 -4.20 0.64 0.00 0.03 0.00 0.00 46.19 42.55 2ohw s LEU 32 CO 0.20 -0.49 1.86 -0.09 0.23 0.00 0.00 176.35 178.06 2ohw h ARG 33 N 2.47 0.88 0.00 1.70 9.65 -1.94 -1.78 114.38 125.36 2ohw h ARG 33 Ca -0.48 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.34 2ohw h ARG 33 Cb 1.21 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 2ohw h ARG 33 CO 0.62 0.58 0.00 1.05 2.80 0.00 0.00 179.97 185.02 2ohw h GLU 34 N 0.90 0.00 -0.01 0.20 4.11 -1.96 -2.09 114.58 115.75 2ohw h GLU 34 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.90 2ohw h GLU 34 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2ohw h GLU 34 CO -0.23 0.00 -0.64 0.54 0.07 0.00 0.00 179.01 178.75 2ohw n ARG 35 N -2.45 1.05 -2.53 1.06 1.74 -0.67 -0.72 116.66 114.13 2ohw n ARG 35 Ca -0.01 -0.53 -0.42 0.00 -0.77 0.00 0.00 57.85 56.12 2ohw n ARG 35 Cb 0.08 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 2ohw n ARG 35 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ohw s VAL 36 N -2.52 4.35 -0.24 1.55 1.01 -0.79 -0.41 120.40 123.35 2ohw s VAL 36 Ca 0.13 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.81 2ohw s VAL 36 Cb 0.16 -4.08 -0.18 0.00 0.00 0.00 0.00 36.38 32.27 2ohw s VAL 36 CO 0.64 0.13 -0.14 0.52 0.00 0.00 0.00 175.10 176.25 2ohw n VAL 37 N 3.92 1.53 -3.57 2.92 0.31 0.50 -4.44 118.33 119.50 2ohw n VAL 37 Ca 0.08 -0.59 -0.16 0.00 -0.01 0.00 0.00 64.34 63.66 2ohw n VAL 37 Cb 0.48 -1.45 -0.06 0.00 -0.91 0.00 0.00 33.84 31.90 2ohw n VAL 37 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2ohw s LEU 38 N -6.57 -0.70 -0.00 7.52 2.96 -1.15 -4.62 118.68 116.12 2ohw s LEU 38 Ca -0.33 1.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.62 2ohw s LEU 38 Cb 0.09 2.50 -0.00 0.00 0.50 0.00 0.00 46.19 49.28 2ohw s LEU 38 CO 0.63 -0.45 -0.04 0.00 -1.32 0.00 0.00 176.35 175.16 2ohw s ALA 39 N -0.52 0.33 0.04 5.97 0.00 0.02 -0.53 121.76 127.06 2ohw s ALA 39 Ca -0.06 -0.17 0.09 0.00 0.00 0.00 0.00 51.96 51.82 2ohw s ALA 39 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2ohw s ALA 39 CO 0.06 0.08 -0.26 -0.51 0.00 0.00 0.00 175.76 175.13 2ohw s LEU 40 N -0.10 2.16 0.76 0.00 1.02 -0.11 -4.43 118.68 117.98 2ohw s LEU 40 Ca 0.01 -0.57 -0.11 0.00 0.02 0.00 0.00 54.13 53.48 2ohw s LEU 40 Cb -0.02 -1.30 0.05 0.00 0.02 0.00 0.00 46.19 44.95 2ohw s LEU 40 CO -0.00 0.27 1.08 0.42 0.02 0.00 0.00 176.35 178.14 2ohw s THR 41 N -0.78 3.44 0.28 5.49 -4.23 -1.26 -0.07 115.64 118.51 2ohw s THR 41 Ca 0.12 0.47 0.01 0.00 -1.18 0.00 0.00 61.69 61.10 2ohw s THR 41 Cb -0.10 -3.13 0.28 0.00 1.34 0.00 0.00 72.50 70.89 2ohw s THR 41 CO 0.02 -0.61 1.84 0.11 -0.54 0.00 0.00 174.62 175.43 2ohw h LYS 42 N -1.01 0.97 -0.81 3.99 1.57 -1.02 -0.77 116.57 119.50 2ohw h LYS 42 Ca -0.45 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.23 2ohw h LYS 42 Cb 1.24 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 2ohw h LYS 42 CO 0.56 0.64 0.36 0.78 -0.57 0.00 0.00 179.45 181.23 2ohw h GLY 43 N 1.00 1.26 1.00 3.86 0.00 -1.89 -0.63 103.07 107.67 2ohw h GLY 43 Ca 0.49 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 2ohw h GLY 43 CO -0.26 0.62 0.23 1.46 0.00 0.00 0.00 176.54 178.58 2ohw h GLN 44 N 1.16 0.90 -0.48 4.80 4.20 -1.69 -2.96 115.11 121.04 2ohw h GLN 44 Ca 0.27 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 2ohw h GLN 44 Cb 0.15 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2ohw h GLN 44 CO -0.03 0.77 0.18 0.28 -0.67 0.00 0.00 178.83 179.37 2ohw h VAL 45 N 0.83 1.18 0.00 -0.54 2.07 -0.35 -1.87 116.25 117.57 2ohw h VAL 45 Ca 0.20 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2ohw h VAL 45 Cb 0.22 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2ohw h VAL 45 CO -0.01 0.23 0.00 0.18 0.02 0.00 0.00 177.57 177.98 2ohw n LEU 46 N -4.35 0.49 -4.71 2.57 4.77 -0.32 -4.77 117.00 110.68 2ohw n LEU 46 Ca 0.04 0.63 -0.42 0.00 -0.03 0.00 0.00 56.01 56.22 2ohw n LEU 46 Cb 0.16 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 2ohw n LEU 46 CO 0.38 -0.51 0.95 -1.14 -1.33 0.00 0.00 177.39 175.74 2ohw n ARG 47 N -2.05 2.21 -0.06 3.23 0.63 -0.71 -4.90 116.66 115.01 2ohw n ARG 47 Ca 0.02 0.78 -0.10 0.00 -0.92 0.00 0.00 57.85 57.63 2ohw n ARG 47 Cb 0.20 -2.39 -0.03 0.00 0.45 0.00 0.00 32.46 30.68 2ohw n ARG 47 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2ohw h SER 48 N 2.81 0.28 -3.37 6.15 4.64 -1.89 -3.40 113.55 118.77 2ohw h SER 48 Ca -0.47 -0.07 -0.56 0.00 -0.47 0.00 0.00 61.79 60.22 2ohw h SER 48 Cb 1.27 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 2ohw h SER 48 CO 0.64 0.27 0.14 -0.75 -0.87 0.00 0.00 176.83 176.27 2ohw s LYS 49 N -5.91 4.46 0.67 4.77 2.20 -1.26 -5.04 119.74 119.63 2ohw s LYS 49 Ca -0.13 0.98 -0.16 0.00 -0.36 0.00 0.00 55.97 56.30 2ohw s LYS 49 Cb 0.08 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 2ohw s LYS 49 CO 0.70 0.05 1.17 -1.25 -0.36 0.00 0.00 175.35 175.66 2ohw s PRO 50 N 0.83 2.62 -0.10 4.03 0.04 -1.26 -4.94 135.00 136.21 2ohw s PRO 50 Ca 0.40 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 2ohw s PRO 50 Cb -0.18 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2ohw s PRO 50 CO 0.20 -1.44 1.24 0.71 0.04 0.00 0.00 177.00 177.75 2ohw s TYR 51 N -2.02 3.01 0.53 0.56 1.51 -1.26 -4.90 117.35 114.77 2ohw s TYR 51 Ca 0.72 1.09 0.22 0.00 -1.01 0.00 0.00 57.07 58.10 2ohw s TYR 51 Cb -0.26 -3.48 1.48 0.00 -0.11 0.00 0.00 41.96 39.60 2ohw s TYR 51 CO 0.40 -1.57 2.17 0.87 -1.11 0.00 0.00 175.55 176.31 2ohw h LYS 52 N 7.83 0.00 -0.25 -0.62 1.79 -2.00 -1.71 116.57 121.60 2ohw h LYS 52 Ca -0.31 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.08 2ohw h LYS 52 Cb 1.14 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 2ohw h LYS 52 CO 0.92 0.03 -0.17 0.93 -1.08 0.00 0.00 179.45 180.09 2ohw h GLU 53 N 0.00 0.44 -0.28 3.15 3.07 -1.99 -0.15 114.58 118.82 2ohw h GLU 53 Ca -0.00 -0.14 -0.15 0.00 -0.50 0.00 0.00 59.36 58.58 2ohw h GLU 53 Cb 0.07 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2ohw h GLU 53 CO 0.00 0.60 -0.40 0.00 -1.40 0.00 0.00 179.01 177.82 2ohw h ALA 54 N 1.42 0.42 -0.88 3.43 0.00 -1.72 -2.78 119.26 119.15 2ohw h ALA 54 Ca 0.07 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.57 2ohw h ALA 54 Cb 0.53 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 2ohw h ALA 54 CO 0.03 0.53 0.57 1.49 0.00 0.00 0.00 179.25 181.87 2ohw h GLU 55 N 0.51 1.04 -0.55 0.00 4.81 -1.16 -1.72 114.58 117.51 2ohw h GLU 55 Ca 0.03 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 2ohw h GLU 55 Cb 0.99 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 30.08 2ohw h GLU 55 CO 0.09 0.69 0.24 1.25 -0.73 0.00 0.00 179.01 180.56 2ohw h HIS 56 N 1.07 0.44 -0.20 0.92 2.76 -0.94 -0.66 115.15 118.54 2ohw h HIS 56 Ca 0.36 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.42 2ohw h HIS 56 Cb 0.06 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 2ohw h HIS 56 CO -0.02 0.18 -0.46 0.93 -1.30 0.00 0.00 177.93 177.25 2ohw h GLU 57 N 0.46 0.51 -0.52 5.26 4.39 -1.16 -1.18 114.58 122.34 2ohw h GLU 57 Ca 0.26 -0.28 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 2ohw h GLU 57 Cb 0.23 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2ohw h GLU 57 CO -0.22 0.87 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.40 2ohw h LEU 58 N 0.41 0.87 -0.79 1.33 3.38 -0.98 -1.10 115.31 118.43 2ohw h LEU 58 Ca 0.03 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.63 2ohw h LEU 58 Cb 0.97 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2ohw h LEU 58 CO 0.09 0.95 -0.54 0.50 0.09 0.00 0.00 178.44 179.53 2ohw h LYS 59 N 0.82 0.17 0.00 1.13 3.64 -0.98 -3.38 116.57 117.97 2ohw h LYS 59 Ca 0.15 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2ohw h LYS 59 Cb 0.53 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2ohw h LYS 59 CO 0.03 0.67 -0.73 0.09 -2.27 0.00 0.00 179.45 177.24 2ohw n ASN 60 N -3.91 1.18 -4.89 4.20 3.02 -0.46 -5.00 115.26 109.40 2ohw n ASN 60 Ca -0.02 -0.49 -0.29 0.00 -0.03 0.00 0.00 54.58 53.75 2ohw n ASN 60 Cb 0.57 1.13 -0.02 0.00 -0.61 0.00 0.00 39.78 40.84 2ohw n ASN 60 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2ohw s SER 61 N -2.22 6.43 -0.11 6.41 0.01 -0.43 -5.05 113.70 118.74 2ohw s SER 61 Ca 0.01 1.07 -0.02 0.00 1.31 0.00 0.00 55.95 58.32 2ohw s SER 61 Cb 0.06 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 2ohw s SER 61 CO 0.37 -0.47 -0.03 -1.00 0.41 0.00 0.00 173.24 172.53 2ohw s HIS 62 N -2.51 3.06 -1.27 2.43 3.76 -1.26 -4.68 115.29 114.82 2ohw s HIS 62 Ca 0.50 -0.02 -0.01 0.00 -0.15 0.00 0.00 55.06 55.37 2ohw s HIS 62 Cb -0.10 -1.84 -0.00 0.00 1.11 0.00 0.00 32.58 31.74 2ohw s HIS 62 CO 0.36 0.25 0.75 0.09 -0.85 0.00 0.00 174.74 175.34 2ohw n ASN 63 N 2.69 -1.75 -4.89 1.40 4.13 -1.26 -4.73 115.26 110.85 2ohw n ASN 63 Ca -0.18 -0.80 -0.20 0.00 1.68 0.00 0.00 54.58 55.07 2ohw n ASN 63 Cb 0.53 -4.20 -0.03 0.00 -1.54 0.00 0.00 39.78 34.54 2ohw n ASN 63 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2ohw s VAL 64 N -3.61 3.68 0.02 2.41 -7.23 -1.26 -2.17 120.40 112.23 2ohw s VAL 64 Ca 0.05 -1.26 0.05 0.00 -1.81 0.00 0.00 61.98 59.01 2ohw s VAL 64 Cb -0.01 -3.25 -0.02 0.00 0.56 0.00 0.00 36.38 33.66 2ohw s VAL 64 CO 0.80 -0.16 -0.15 -0.89 -0.31 0.00 0.00 175.10 174.39 2ohw s THR 65 N -2.27 1.19 -0.34 5.32 2.01 0.08 -4.31 115.64 117.32 2ohw s THR 65 Ca 0.42 -0.84 -0.19 0.00 0.31 0.00 0.00 61.69 61.39 2ohw s THR 65 Cb -0.07 -1.03 -0.00 0.00 0.01 0.00 0.00 72.50 71.41 2ohw s THR 65 CO 0.28 0.18 0.58 -0.22 -0.69 0.00 0.00 174.62 174.75 2ohw s LEU 66 N -0.76 4.27 -0.19 4.42 2.96 -0.26 -1.67 118.68 127.46 2ohw s LEU 66 Ca 0.04 0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.98 2ohw s LEU 66 Cb -0.07 -2.70 -0.05 0.00 0.50 0.00 0.00 46.19 43.87 2ohw s LEU 66 CO 0.00 -0.52 0.13 -0.76 -1.32 0.00 0.00 176.35 173.88 2ohw s LEU 67 N 2.55 4.22 -0.07 -0.68 1.43 0.65 -0.88 118.68 125.91 2ohw s LEU 67 Ca 0.22 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.62 2ohw s LEU 67 Cb -0.15 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.99 2ohw s LEU 67 CO 0.14 0.22 -0.20 -0.63 0.23 0.00 0.00 176.35 176.11 2ohw s ILE 68 N 0.13 1.69 -0.18 -0.59 1.01 -0.18 -1.18 121.20 121.90 2ohw s ILE 68 Ca 0.09 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.62 2ohw s ILE 68 Cb -0.11 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 2ohw s ILE 68 CO -0.01 0.48 1.43 0.21 0.00 0.00 0.00 174.94 177.05 2ohw s ASN 69 N 0.25 6.71 0.00 3.58 3.84 -0.13 -0.13 114.94 129.05 2ohw s ASN 69 Ca -0.11 1.69 0.12 0.00 0.21 0.00 0.00 52.86 54.76 2ohw s ASN 69 Cb -0.15 -2.54 0.60 0.00 -0.55 0.00 0.00 41.25 38.61 2ohw s ASN 69 CO 0.05 -0.97 1.25 0.61 -2.79 0.00 0.00 177.10 175.25 2ohw n GLY 70 N 4.09 -0.62 0.22 1.21 0.00 0.61 -1.65 105.19 109.04 2ohw n GLY 70 Ca 0.16 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.20 2ohw n GLY 70 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ohw h GLU 71 N 0.00 0.00 -7.03 1.61 4.81 -1.90 -3.44 114.58 108.63 2ohw h GLU 71 Ca 0.00 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.76 2ohw h GLU 71 Cb 0.09 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.48 2ohw h GLU 71 CO 0.00 0.27 0.38 -0.51 -0.73 0.00 0.00 179.01 178.42 2ohw s LEU 72 N -7.22 3.97 0.38 1.64 1.43 -0.66 -5.05 118.68 113.18 2ohw s LEU 72 Ca -0.01 1.89 -0.18 0.00 -1.03 0.00 0.00 54.13 54.80 2ohw s LEU 72 Cb 0.12 -4.43 -0.10 0.00 0.03 0.00 0.00 46.19 41.81 2ohw s LEU 72 CO 0.65 -0.56 0.85 -1.10 0.23 0.00 0.00 176.35 176.42 2ohw s GLN 73 N -2.97 4.09 0.23 1.70 -0.21 -1.26 -4.99 119.66 116.26 2ohw s GLN 73 Ca 0.63 0.88 -0.09 0.00 0.02 0.00 0.00 55.36 56.79 2ohw s GLN 73 Cb -0.16 -2.30 0.37 0.00 1.00 0.00 0.00 33.01 31.92 2ohw s GLN 73 CO 0.20 0.04 1.63 -0.92 -2.12 0.00 0.00 175.29 174.12 2ohw h TYR 74 N 1.99 -0.16 -0.48 0.91 3.20 -1.96 -0.01 116.97 120.45 2ohw h TYR 74 Ca -0.48 0.06 0.12 0.00 3.14 0.00 0.00 58.73 61.56 2ohw h TYR 74 Cb 1.18 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.61 2ohw h TYR 74 CO 0.62 -0.25 0.34 0.37 -1.64 0.00 0.00 178.16 177.59 2ohw h GLN 75 N 0.07 0.10 -0.33 1.82 4.15 -2.00 0.01 115.11 118.93 2ohw h GLN 75 Ca 0.38 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.65 2ohw h GLN 75 Cb 0.63 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 2ohw h GLN 75 CO -0.67 0.07 -0.36 0.77 -1.93 0.00 0.00 178.83 176.72 2ohw h SER 76 N 0.11 0.79 -0.05 -0.69 0.02 -1.36 -3.31 113.55 109.05 2ohw h SER 76 Ca 0.23 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2ohw h SER 76 Cb 0.76 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2ohw h SER 76 CO -0.02 1.07 0.00 0.00 -1.14 0.00 0.00 176.83 176.73 2ohw n TYR 77 N -4.06 0.05 0.26 3.45 0.18 -0.68 -4.64 117.16 111.73 2ohw n TYR 77 Ca -0.01 -0.06 0.10 0.00 1.88 0.00 0.00 57.90 59.81 2ohw n TYR 77 Cb 0.51 -0.00 0.70 0.00 -0.38 0.00 0.00 39.34 40.16 2ohw n TYR 77 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 2ohw h SER 78 N 2.09 0.00 -0.08 9.48 4.64 -1.12 -1.39 113.55 127.17 2ohw h SER 78 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2ohw h SER 78 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2ohw h SER 78 CO 0.00 0.04 -0.14 0.28 -0.87 0.00 0.00 176.83 176.14 2ohw h SER 79 N 0.00 0.40 0.46 4.97 0.02 -1.83 -2.44 113.55 115.13 2ohw h SER 79 Ca -0.00 -0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 60.70 2ohw h SER 79 Cb 0.08 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2ohw h SER 79 CO 0.01 0.57 -0.64 1.88 -1.14 0.00 0.00 176.83 177.51 2ohw h TYR 80 N 0.39 0.21 -0.48 3.45 0.05 -1.60 -1.94 116.97 117.05 2ohw h TYR 80 Ca 0.07 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 2ohw h TYR 80 Cb 0.47 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 2ohw h TYR 80 CO 0.01 0.75 0.20 0.82 -1.05 0.00 0.00 178.16 178.90 2ohw h ILE 81 N 0.12 1.21 -0.28 -2.88 2.04 -1.38 -0.37 117.51 115.96 2ohw h ILE 81 Ca -0.01 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.27 2ohw h ILE 81 Cb 1.14 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 2ohw h ILE 81 CO 0.09 0.24 0.02 1.56 0.00 0.00 0.00 178.15 180.06 2ohw h GLN 82 N 0.64 0.10 -0.04 2.37 1.08 -1.21 -0.77 115.11 117.29 2ohw h GLN 82 Ca 0.16 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.38 2ohw h GLN 82 Cb 0.18 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 2ohw h GLN 82 CO -0.01 0.07 -0.11 0.52 -0.95 0.00 0.00 178.83 178.35 2ohw h MET 83 N 0.11 -0.16 -0.16 1.46 2.86 -1.19 -1.48 114.93 116.36 2ohw h MET 83 Ca 0.13 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.82 2ohw h MET 83 Cb 0.16 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 2ohw h MET 83 CO -0.21 -0.11 -0.07 0.00 1.06 0.00 0.00 176.91 177.59 2ohw h ALA 84 N 0.84 0.07 -0.26 6.32 0.00 -0.79 -2.48 119.26 122.96 2ohw h ALA 84 Ca 0.05 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2ohw h ALA 84 Cb 0.24 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2ohw h ALA 84 CO -0.14 -0.51 -0.02 0.77 0.00 0.00 0.00 179.25 179.35 2ohw h SER 85 N -0.05 0.37 -0.28 0.00 0.02 -0.97 0.11 113.55 112.75 2ohw h SER 85 Ca 0.09 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2ohw h SER 85 Cb 0.18 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2ohw h SER 85 CO -0.20 0.45 0.19 -0.09 -1.14 0.00 0.00 176.83 176.05 2ohw h ARG 86 N 0.39 0.22 -0.38 3.45 2.43 -0.80 -2.27 114.38 117.40 2ohw h ARG 86 Ca 0.09 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2ohw h ARG 86 Cb 0.29 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2ohw h ARG 86 CO 0.01 0.15 0.00 0.66 -1.51 0.00 0.00 179.97 179.28 2ohw n TYR 87 N -4.49 0.67 -1.45 2.20 4.01 -0.58 -4.97 117.16 112.55 2ohw n TYR 87 Ca 0.02 -0.58 -0.06 0.00 -0.16 0.00 0.00 57.90 57.13 2ohw n TYR 87 Cb 0.19 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.11 2ohw n TYR 87 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ohw n GLY 88 N 0.46 0.61 3.68 2.72 0.00 -0.66 -4.96 105.19 107.03 2ohw n GLY 88 Ca 0.15 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 2ohw n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ohw s VAL 89 N -2.23 5.26 0.63 1.61 1.01 -0.08 -5.00 120.40 121.61 2ohw s VAL 89 Ca 0.00 0.53 -0.13 0.00 0.00 0.00 0.00 61.98 62.38 2ohw s VAL 89 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2ohw s VAL 89 CO 0.00 0.30 1.05 -2.16 0.00 0.00 0.00 175.10 174.29 2ohw s PRO 90 N 1.12 3.25 0.13 2.72 0.04 -1.26 -4.07 135.00 136.93 2ohw s PRO 90 Ca 0.15 1.01 0.05 0.00 0.04 0.00 0.00 61.00 62.26 2ohw s PRO 90 Cb -0.14 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2ohw s PRO 90 CO 0.06 -0.85 -0.13 -0.59 0.04 0.00 0.00 177.00 175.53 2ohw s PHE 91 N -2.83 1.35 -0.01 0.56 -0.12 -1.26 -1.10 117.98 114.57 2ohw s PHE 91 Ca 0.59 -0.61 0.01 0.00 -0.05 0.00 0.00 56.93 56.87 2ohw s PHE 91 Cb -0.14 -0.70 0.00 0.00 -0.63 0.00 0.00 43.02 41.56 2ohw s PHE 91 CO 0.47 0.13 -0.05 -1.59 -0.05 0.00 0.00 175.22 174.13 2ohw s LYS 92 N -3.00 0.47 -0.32 1.99 -2.85 -0.06 -4.94 119.74 111.03 2ohw s LYS 92 Ca 0.11 -0.15 -0.19 0.00 -1.00 0.00 0.00 55.97 54.74 2ohw s LYS 92 Cb -0.03 -0.48 -0.01 0.00 -2.06 0.00 0.00 37.83 35.25 2ohw s LYS 92 CO 0.02 0.06 0.58 0.42 0.10 0.00 0.00 175.35 176.53 2ohw s ILE 93 N 0.16 4.96 -0.18 3.79 -1.09 -1.26 -1.01 121.20 126.58 2ohw s ILE 93 Ca -0.01 0.65 -0.08 0.00 -2.23 0.00 0.00 60.65 58.97 2ohw s ILE 93 Cb -0.05 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 2ohw s ILE 93 CO -0.00 -0.18 0.11 -0.69 -1.23 0.00 0.00 174.94 172.95 2ohw s VAL 94 N 2.54 5.21 -0.53 2.92 1.01 0.81 -4.87 120.40 127.49 2ohw s VAL 94 Ca 0.23 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 2ohw s VAL 94 Cb -0.15 -3.34 0.10 0.00 0.00 0.00 0.00 36.38 32.99 2ohw s VAL 94 CO 0.13 0.49 0.53 -0.44 0.00 0.00 0.00 175.10 175.80 2ohw s SER 95 N 0.05 6.18 -1.16 3.32 0.01 -1.26 -0.28 113.70 120.55 2ohw s SER 95 Ca 0.08 -1.53 -0.15 0.00 1.31 0.00 0.00 55.95 55.66 2ohw s SER 95 Cb -0.12 -2.23 0.16 0.00 0.21 0.00 0.00 66.02 64.04 2ohw s SER 95 CO -0.00 -0.86 1.40 -0.62 0.41 0.00 0.00 173.24 173.56 2ohw s ASP 96 N 3.29 6.99 0.42 2.44 -1.08 -1.26 -4.81 116.67 122.65 2ohw s ASP 96 Ca 0.06 -2.81 0.23 0.00 -0.52 0.00 0.00 52.55 49.51 2ohw s ASP 96 Cb -0.27 -2.41 0.49 0.00 -1.46 0.00 0.00 42.92 39.28 2ohw s ASP 96 CO 0.05 -0.82 1.65 -0.07 0.52 0.00 0.00 175.17 176.50 2ohw h LEU 97 N 9.96 0.00 0.00 -1.34 3.38 -1.98 -3.29 115.31 122.04 2ohw h LEU 97 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2ohw h LEU 97 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2ohw h LEU 97 CO 1.23 0.16 -0.89 1.56 0.09 0.00 0.00 178.44 180.59 2ohw h GLN 98 N 0.00 0.00 -2.94 1.13 1.08 -1.97 -3.46 115.11 108.94 2ohw h GLN 98 Ca -0.00 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 2ohw h GLN 98 Cb 1.00 0.00 -0.28 0.00 -0.05 0.00 0.00 27.48 28.15 2ohw h GLN 98 CO 0.02 0.00 -0.41 0.12 -0.95 0.00 0.00 178.83 177.61 2ohw s PHE 99 N -3.30 -0.39 -1.41 2.96 5.36 -1.24 -5.06 117.98 114.90 2ohw s PHE 99 Ca 0.02 0.90 -0.15 0.00 -0.96 0.00 0.00 56.93 56.73 2ohw s PHE 99 Cb 0.11 0.11 0.05 0.00 -0.34 0.00 0.00 43.02 42.95 2ohw s PHE 99 CO 0.77 -0.24 2.07 1.58 -1.46 0.00 0.00 175.22 177.94 2ohw n HIS 100 N 3.89 3.88 -2.16 10.12 -0.00 -1.26 -4.85 115.22 124.84 2ohw n HIS 100 Ca -0.22 -2.94 -0.39 0.00 -0.00 0.00 0.00 57.72 54.18 2ohw n HIS 100 Cb 0.55 -2.57 -0.01 0.00 -0.00 0.00 0.00 29.99 27.96 2ohw n HIS 100 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 2ohw s THR 101 N 3.45 2.86 -1.55 3.57 -1.32 -1.26 -4.91 115.64 116.47 2ohw s THR 101 Ca 0.49 0.75 0.30 0.00 -1.21 0.00 0.00 61.69 62.02 2ohw s THR 101 Cb 0.11 -3.43 0.60 0.00 -1.51 0.00 0.00 72.50 68.27 2ohw s THR 101 CO -0.04 0.09 2.08 -0.81 -2.21 0.00 0.00 174.62 173.73 2ohw n PRO 102 N 0.12 0.54 -2.93 7.08 -0.04 -1.26 -4.85 135.00 133.66 2ohw n PRO 102 Ca 0.04 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.10 2ohw n PRO 102 Cb 0.45 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 2ohw n PRO 102 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ohw s LEU 103 N -2.45 4.46 -0.20 1.53 1.43 -1.26 -0.48 118.68 121.71 2ohw s LEU 103 Ca 0.32 1.52 0.09 0.00 -1.03 0.00 0.00 54.13 55.04 2ohw s LEU 103 Cb 0.20 -3.31 -0.22 0.00 0.03 0.00 0.00 46.19 42.90 2ohw s LEU 103 CO 0.44 0.00 0.02 0.61 0.23 0.00 0.00 176.35 177.65 2ohw n GLY 104 N 2.35 -0.71 2.94 -3.19 0.00 0.90 -4.57 105.19 102.91 2ohw n GLY 104 Ca -0.01 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 2ohw n GLY 104 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ohw s ILE 105 N -2.52 -0.01 -0.06 -0.61 1.01 -1.09 -0.96 121.20 116.97 2ohw s ILE 105 Ca -0.21 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.50 2ohw s ILE 105 Cb 0.07 -0.13 0.02 0.00 0.01 0.00 0.00 42.46 42.43 2ohw s ILE 105 CO 0.73 0.01 -0.08 -0.69 0.00 0.00 0.00 174.94 174.92 2ohw s VAL 106 N 0.24 0.84 -0.28 2.92 1.01 -0.33 -0.94 120.40 123.87 2ohw s VAL 106 Ca -0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 2ohw s VAL 106 Cb -0.03 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 2ohw s VAL 106 CO -0.01 0.29 0.21 -0.63 0.00 0.00 0.00 175.10 174.97 2ohw s ILE 107 N 0.82 5.29 -0.03 2.22 1.01 0.31 -0.25 121.20 130.57 2ohw s ILE 107 Ca -0.12 0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.80 2ohw s ILE 107 Cb -0.15 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 2ohw s ILE 107 CO 0.02 0.24 -0.20 0.00 0.00 0.00 0.00 174.94 174.99 2ohw s ALA 108 N 1.80 1.71 0.59 9.38 0.00 -0.67 -0.37 121.76 134.20 2ohw s ALA 108 Ca 0.08 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 2ohw s ALA 108 Cb -0.16 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.47 2ohw s ALA 108 CO 0.11 0.36 0.90 0.00 0.00 0.00 0.00 175.76 177.13 2ohw s ALA 109 N -0.23 3.32 -1.82 0.00 0.00 0.45 -0.74 121.76 122.74 2ohw s ALA 109 Ca 0.01 -0.74 0.18 0.00 0.00 0.00 0.00 51.96 51.41 2ohw s ALA 109 Cb -0.10 -2.57 0.54 0.00 0.00 0.00 0.00 23.12 20.99 2ohw s ALA 109 CO 0.01 -0.82 1.45 -0.40 0.00 0.00 0.00 175.76 175.99 2ohw n ASP 110 N -2.58 3.37 -4.07 0.00 5.75 -0.92 -4.87 116.55 113.22 2ohw n ASP 110 Ca 0.05 -2.08 -0.08 0.00 -0.01 0.00 0.00 54.79 52.67 2ohw n ASP 110 Cb 0.58 -0.43 -0.10 0.00 -1.03 0.00 0.00 41.12 40.14 2ohw n ASP 110 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 2ohw s ILE 111 N -1.34 0.18 -0.01 2.12 1.10 -1.26 -5.12 121.20 116.87 2ohw s ILE 111 Ca 0.40 -1.75 -0.30 0.00 -0.51 0.00 0.00 60.65 58.49 2ohw s ILE 111 Cb 0.22 -1.62 -0.07 0.00 0.15 0.00 0.00 42.46 41.14 2ohw s ILE 111 CO 0.26 -0.84 1.81 0.00 -2.11 0.00 0.00 174.94 174.06 2ohw s ALA 112 N -3.94 3.58 -0.21 1.50 0.00 -1.26 -4.57 121.76 116.85 2ohw s ALA 112 Ca 0.11 1.12 0.13 0.00 0.00 0.00 0.00 51.96 53.31 2ohw s ALA 112 Cb 0.07 -3.80 -0.18 0.00 0.00 0.00 0.00 23.12 19.22 2ohw s ALA 112 CO -0.07 -1.51 0.37 1.33 0.00 0.00 0.00 175.76 175.88 2ohw n VAL 113 N 5.56 0.00 -3.91 0.00 0.24 0.10 -4.99 118.33 115.33 2ohw n VAL 113 Ca 0.19 -0.26 -0.26 0.00 -2.04 0.00 0.00 64.34 61.96 2ohw n VAL 113 Cb 0.42 0.48 -0.01 0.00 -1.47 0.00 0.00 33.84 33.26 2ohw n VAL 113 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2ohw n ASN 114 N -1.73 -1.06 -4.68 -1.34 5.03 -0.65 -4.92 115.26 105.92 2ohw n ASN 114 Ca -0.01 -1.01 -0.41 0.00 0.87 0.00 0.00 54.58 54.03 2ohw n ASN 114 Cb 0.29 -3.11 -0.04 0.00 -1.02 0.00 0.00 39.78 35.90 2ohw n ASN 114 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2ohw s ARG 115 N -6.47 4.34 -0.02 3.52 6.06 -1.26 -4.95 118.95 120.16 2ohw s ARG 115 Ca 0.07 0.96 -0.22 0.00 -2.50 0.00 0.00 55.73 54.05 2ohw s ARG 115 Cb -0.03 -3.54 -0.23 0.00 0.06 0.00 0.00 34.95 31.22 2ohw s ARG 115 CO 0.88 -0.20 1.09 0.93 -2.50 0.00 0.00 175.30 175.50 2ohw h GLU 116 N 7.17 0.30 -4.59 5.12 3.07 -1.93 -3.43 114.58 120.29 2ohw h GLU 116 Ca -0.33 -0.30 -0.71 0.00 -0.50 0.00 0.00 59.36 57.52 2ohw h GLU 116 Cb 1.15 0.08 -0.20 0.00 -0.84 0.00 0.00 28.75 28.94 2ohw h GLU 116 CO 0.80 0.99 -0.42 -1.17 -1.40 0.00 0.00 179.01 177.81 2ohw s LEU 117 N -8.49 4.94 -0.03 1.33 2.96 -1.26 -4.52 118.68 113.61 2ohw s LEU 117 Ca -0.14 -0.76 0.04 0.00 -0.22 0.00 0.00 54.13 53.05 2ohw s LEU 117 Cb 0.02 -2.18 0.07 0.00 0.50 0.00 0.00 46.19 44.60 2ohw s LEU 117 CO 0.78 -0.41 0.90 2.30 -1.32 0.00 0.00 176.35 178.60 2ohw n ILE 118 N 5.17 0.68 -4.26 6.68 -5.35 -1.26 -4.92 119.36 116.10 2ohw n ILE 118 Ca -0.11 -0.77 -0.14 0.00 -0.27 0.00 0.00 62.75 61.46 2ohw n ILE 118 Cb 0.48 0.47 -0.10 0.00 -1.74 0.00 0.00 39.64 38.75 2ohw n ILE 118 CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 2ohw s TYR 119 N -0.91 1.29 -0.43 4.28 1.13 -1.26 -0.80 117.35 120.66 2ohw s TYR 119 Ca 0.07 -0.86 -0.12 0.00 -1.41 0.00 0.00 57.07 54.75 2ohw s TYR 119 Cb 0.06 -0.70 0.06 0.00 -1.10 0.00 0.00 41.96 40.28 2ohw s TYR 119 CO 0.01 -0.02 0.29 0.42 -2.51 0.00 0.00 175.55 173.74 2ohw s ILE 120 N -3.44 4.65 -0.47 -3.49 1.01 -1.26 -5.02 121.20 113.18 2ohw s ILE 120 Ca 0.20 -1.15 -0.28 0.00 0.00 0.00 0.00 60.65 59.42 2ohw s ILE 120 Cb 0.04 -3.76 -0.00 0.00 0.01 0.00 0.00 42.46 38.75 2ohw s ILE 120 CO 0.03 -0.46 1.57 -1.58 0.00 0.00 0.00 174.94 174.50 2ohw s GLN 121 N 1.53 3.29 0.34 2.79 0.74 -1.26 -4.67 119.66 122.42 2ohw s GLN 121 Ca 0.03 0.86 -0.03 0.00 0.05 0.00 0.00 55.36 56.27 2ohw s GLN 121 Cb -0.22 -4.15 0.00 0.00 1.10 0.00 0.00 33.01 29.74 2ohw s GLN 121 CO 0.05 -1.92 0.49 0.16 -0.55 0.00 0.00 175.29 173.51 2ohw s ASP 122 N 5.23 0.86 0.37 6.67 -4.77 -1.26 -5.02 116.67 118.74 2ohw s ASP 122 Ca 0.64 -1.46 0.09 0.00 -3.30 0.00 0.00 52.55 48.51 2ohw s ASP 122 Cb -0.15 0.67 0.72 0.00 -1.09 0.00 0.00 42.92 43.08 2ohw s ASP 122 CO 0.29 -1.31 1.88 0.44 0.70 0.00 0.00 175.17 177.17 2ohw h ASP 123 N 2.11 0.25 -0.46 2.11 3.32 -1.99 -2.18 116.42 119.57 2ohw h ASP 123 Ca -0.28 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.65 2ohw h ASP 123 Cb 1.24 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 2ohw h ASP 123 CO 0.39 0.43 0.05 0.40 -1.72 0.00 0.00 179.24 178.79 2ohw h ILE 124 N 0.25 1.25 -0.23 0.35 2.04 -1.96 -1.25 117.51 117.95 2ohw h ILE 124 Ca 0.05 -0.95 0.05 0.00 1.00 0.00 0.00 64.86 65.01 2ohw h ILE 124 Cb 0.43 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 2ohw h ILE 124 CO 0.03 0.33 -0.05 0.22 0.00 0.00 0.00 178.15 178.67 2ohw h TYR 125 N 0.64 -0.11 -0.52 1.37 3.20 -1.70 -0.47 116.97 119.37 2ohw h TYR 125 Ca 0.14 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2ohw h TYR 125 Cb 0.42 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 2ohw h TYR 125 CO 0.03 -0.09 0.24 -0.91 -1.64 0.00 0.00 178.16 175.78 2ohw h ASN 126 N 0.01 0.66 1.39 -2.11 2.35 -1.20 -1.55 115.58 115.12 2ohw h ASN 126 Ca 0.11 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.68 2ohw h ASN 126 Cb 0.17 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2ohw h ASN 126 CO -0.23 0.57 -0.62 0.03 -1.65 0.00 0.00 177.43 175.53 2ohw h ARG 127 N 0.73 0.00 0.00 0.81 3.08 -0.87 -3.39 114.38 114.75 2ohw h ARG 127 Ca 0.18 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.00 2ohw h ARG 127 Cb 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 2ohw h ARG 127 CO -0.02 0.53 -2.06 -1.13 -1.07 0.00 0.00 179.97 176.22 2ohw n SER 128 N -3.21 0.90 0.24 7.04 3.41 -0.22 -4.67 113.62 117.13 2ohw n SER 128 Ca 0.01 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.72 2ohw n SER 128 Cb 0.76 1.13 0.63 0.00 -0.26 0.00 0.00 64.21 66.47 2ohw n SER 128 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 2ohw h VAL 129 N 0.00 0.74 -0.03 -3.33 3.04 -1.50 -3.46 116.25 111.71 2ohw h VAL 129 Ca -0.34 -0.69 0.00 0.00 -1.01 0.00 0.00 66.70 64.66 2ohw h VAL 129 Cb 1.74 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 32.43 2ohw h VAL 129 CO 0.02 0.17 0.00 0.18 -1.01 0.00 0.00 177.57 176.93