#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oaf n GLY 2 N 0.00 0.80 3.75 5.00 0.00 -1.26 -5.01 105.19 108.46 1oaf n GLY 2 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1oaf n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oaf s LYS 3 N -0.05 4.08 -0.39 1.61 -0.14 -1.26 -4.62 119.74 118.97 1oaf s LYS 3 Ca 0.00 -0.21 0.03 0.00 -1.36 0.00 0.00 55.97 54.43 1oaf s LYS 3 Cb 0.00 -3.39 0.11 0.00 -1.68 0.00 0.00 37.83 32.87 1oaf s LYS 3 CO 0.00 0.37 0.12 0.45 -0.76 0.00 0.00 175.35 175.53 1oaf s SER 4 N 0.17 4.75 0.29 2.83 0.15 -0.46 -5.04 113.70 116.39 1oaf s SER 4 Ca 0.09 -2.34 -0.29 0.00 0.70 0.00 0.00 55.95 54.11 1oaf s SER 4 Cb -0.11 -1.66 -0.09 0.00 -1.71 0.00 0.00 66.02 62.44 1oaf s SER 4 CO -0.01 -0.37 1.08 -0.31 1.20 0.00 0.00 173.24 174.83 1oaf s TYR 5 N 0.66 3.58 0.67 3.44 2.02 -1.26 -4.51 117.35 121.95 1oaf s TYR 5 Ca 0.12 1.72 -0.12 0.00 -0.37 0.00 0.00 57.07 58.42 1oaf s TYR 5 Cb -0.21 -3.23 -0.01 0.00 -0.40 0.00 0.00 41.96 38.11 1oaf s TYR 5 CO -0.06 -0.45 1.06 -1.25 -1.57 0.00 0.00 175.55 173.28 1oaf s PRO 6 N -1.55 3.06 0.10 -1.71 0.04 -1.26 -5.01 135.00 128.66 1oaf s PRO 6 Ca 0.46 1.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 1oaf s PRO 6 Cb -0.30 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 1oaf s PRO 6 CO 0.38 -1.00 1.10 0.99 0.04 0.00 0.00 177.00 178.51 1oaf s THR 7 N -2.91 4.18 0.22 1.26 2.01 -1.26 -4.89 115.64 114.24 1oaf s THR 7 Ca 0.59 1.69 0.10 0.00 0.31 0.00 0.00 61.69 64.38 1oaf s THR 7 Cb -0.14 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 1oaf s THR 7 CO 0.50 0.20 -0.20 0.68 -0.69 0.00 0.00 174.62 175.12 1oaf s VAL 8 N 0.48 2.15 0.90 3.82 -7.23 -1.26 -5.04 120.40 114.22 1oaf s VAL 8 Ca 0.53 -2.15 -0.11 0.00 -1.81 0.00 0.00 61.98 58.44 1oaf s VAL 8 Cb -0.27 -2.10 0.13 0.00 0.56 0.00 0.00 36.38 34.70 1oaf s VAL 8 CO 0.31 -0.34 1.10 -0.94 -0.31 0.00 0.00 175.10 174.92 1oaf s SER 9 N -3.05 3.30 0.28 4.85 1.04 -1.26 -4.81 113.70 114.05 1oaf s SER 9 Ca 0.23 1.84 -0.02 0.00 0.48 0.00 0.00 55.95 58.48 1oaf s SER 9 Cb -0.05 -2.43 0.43 0.00 0.10 0.00 0.00 66.02 64.07 1oaf s SER 9 CO 0.10 -2.80 1.90 0.00 0.98 0.00 0.00 173.24 173.42 1oaf h ALA 10 N -1.66 1.43 -0.50 5.32 0.00 -2.01 -1.84 119.26 120.00 1oaf h ALA 10 Ca -0.47 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1oaf h ALA 10 Cb 1.27 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1oaf h ALA 10 CO 0.49 0.44 0.03 -0.44 0.00 0.00 0.00 179.25 179.77 1oaf h ASP 11 N 1.15 0.77 -0.26 0.00 3.32 -1.99 -0.42 116.42 118.99 1oaf h ASP 11 Ca 0.41 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1oaf h ASP 11 Cb 0.13 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1oaf h ASP 11 CO -0.15 0.82 0.10 0.22 -1.72 0.00 0.00 179.24 178.51 1oaf h TYR 12 N 0.76 0.40 -0.81 4.55 5.03 -1.71 -1.76 116.97 123.42 1oaf h TYR 12 Ca 0.15 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.41 1oaf h TYR 12 Cb 0.41 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.54 1oaf h TYR 12 CO 0.02 0.41 0.42 1.96 -1.32 0.00 0.00 178.16 179.65 1oaf h GLN 13 N 0.27 1.15 -0.65 1.82 4.20 -1.00 -0.91 115.11 119.99 1oaf h GLN 13 Ca 0.09 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1oaf h GLN 13 Cb 0.18 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1oaf h GLN 13 CO -0.01 0.86 0.41 -0.22 -0.67 0.00 0.00 178.83 179.20 1oaf h LYS 14 N 1.14 0.87 -0.68 1.46 3.11 -0.94 -1.99 116.57 119.54 1oaf h LYS 14 Ca 0.28 -0.07 -0.06 0.00 -2.81 0.00 0.00 60.65 58.00 1oaf h LYS 14 Cb 0.07 -0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 31.08 1oaf h LYS 14 CO -0.04 0.61 0.20 0.00 -2.81 0.00 0.00 179.45 177.40 1oaf h ALA 15 N 1.21 1.07 -0.38 5.00 0.00 -0.70 -1.65 119.26 123.82 1oaf h ALA 15 Ca 0.23 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1oaf h ALA 15 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1oaf h ALA 15 CO -0.05 0.63 0.22 0.28 0.00 0.00 0.00 179.25 180.33 1oaf h VAL 16 N 1.01 1.04 -0.66 0.00 2.07 -0.81 0.65 116.25 119.55 1oaf h VAL 16 Ca 0.22 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 1oaf h VAL 16 Cb 0.30 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1oaf h VAL 16 CO -0.01 0.08 0.13 -0.33 0.02 0.00 0.00 177.57 177.47 1oaf h GLU 17 N 0.45 1.07 -0.11 1.57 4.39 -1.06 -0.96 114.58 119.93 1oaf h GLU 17 Ca 0.15 -0.27 -0.21 0.00 0.34 0.00 0.00 59.36 59.37 1oaf h GLU 17 Cb 0.01 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1oaf h GLU 17 CO -0.07 0.97 -0.77 -0.22 -1.16 0.00 0.00 179.01 177.76 1oaf h LYS 18 N 0.99 0.60 -0.43 2.33 1.63 -1.12 -2.97 116.57 117.59 1oaf h LYS 18 Ca 0.20 -0.50 -0.07 0.00 -0.85 0.00 0.00 60.65 59.43 1oaf h LYS 18 Cb 0.40 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 1oaf h LYS 18 CO 0.01 1.12 -0.03 0.00 -3.45 0.00 0.00 179.45 177.10 1oaf h ALA 19 N 0.74 1.13 -0.53 5.00 0.00 -0.67 -1.58 119.26 123.34 1oaf h ALA 19 Ca -0.05 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1oaf h ALA 19 Cb 1.37 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1oaf h ALA 19 CO 0.15 0.55 0.30 -0.22 0.00 0.00 0.00 179.25 180.03 1oaf h LYS 20 N 0.67 0.57 -0.13 0.00 3.64 -1.06 0.39 116.57 120.66 1oaf h LYS 20 Ca 0.13 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1oaf h LYS 20 Cb 0.46 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1oaf h LYS 20 CO 0.02 0.38 0.06 0.87 -2.27 0.00 0.00 179.45 178.51 1oaf h LYS 21 N 0.59 0.19 -0.77 1.90 1.57 -1.33 -1.58 116.57 117.14 1oaf h LYS 21 Ca 0.22 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1oaf h LYS 21 Cb 0.07 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 1oaf h LYS 21 CO -0.12 0.27 0.40 0.87 -0.57 0.00 0.00 179.45 180.30 1oaf h LYS 22 N 0.06 1.09 -0.51 3.15 1.79 -1.05 -2.28 116.57 118.81 1oaf h LYS 22 Ca 0.04 -0.13 -0.08 0.00 -2.18 0.00 0.00 60.65 58.30 1oaf h LYS 22 Cb 0.15 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 1oaf h LYS 22 CO -0.00 0.81 -0.01 -0.07 -1.08 0.00 0.00 179.45 179.10 1oaf h LEU 23 N 1.09 0.84 0.18 2.94 3.38 -0.80 -1.63 115.31 121.32 1oaf h LEU 23 Ca 0.27 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1oaf h LEU 23 Cb 0.06 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1oaf h LEU 23 CO -0.04 0.91 -0.12 0.03 0.09 0.00 0.00 178.44 179.32 1oaf h ARG 24 N 0.81 -0.28 -0.58 1.13 3.08 -0.72 -0.39 114.38 117.42 1oaf h ARG 24 Ca 0.15 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1oaf h ARG 24 Cb 0.49 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1oaf h ARG 24 CO 0.02 -0.19 0.28 0.78 -1.07 0.00 0.00 179.97 179.80 1oaf h GLY 25 N -0.29 0.90 0.80 0.04 0.00 -1.32 -1.32 103.07 101.87 1oaf h GLY 25 Ca -0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1oaf h GLY 25 CO 0.01 0.42 0.02 -2.75 0.00 0.00 0.00 176.54 174.25 1oaf h PHE 26 N 0.79 0.21 -0.51 5.60 3.57 -1.17 -1.29 116.94 124.15 1oaf h PHE 26 Ca 0.20 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 1oaf h PHE 26 Cb 0.12 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1oaf h PHE 26 CO -0.00 0.39 -0.09 0.82 -2.23 0.00 0.00 178.31 177.20 1oaf h ILE 27 N -0.03 1.27 -0.30 1.41 2.04 -1.01 -0.74 117.51 120.15 1oaf h ILE 27 Ca 0.04 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 1oaf h ILE 27 Cb 0.30 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1oaf h ILE 27 CO 0.00 0.43 0.18 0.00 0.00 0.00 0.00 178.15 178.76 1oaf h ALA 28 N 0.91 0.38 -0.37 1.87 0.00 -1.20 -1.84 119.26 119.00 1oaf h ALA 28 Ca 0.13 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1oaf h ALA 28 Cb 0.65 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1oaf h ALA 28 CO 0.04 -0.11 -0.28 1.49 0.00 0.00 0.00 179.25 180.39 1oaf h GLU 29 N 0.38 0.79 0.00 0.00 4.22 -1.00 -3.05 114.58 115.93 1oaf h GLU 29 Ca 0.11 -0.35 0.00 0.00 0.08 0.00 0.00 59.36 59.19 1oaf h GLU 29 Cb 0.03 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1oaf h GLU 29 CO -0.02 0.98 -0.15 1.17 -2.18 0.00 0.00 179.01 178.81 1oaf n LYS 30 N -4.09 0.15 -2.32 1.92 3.00 -0.30 -4.92 118.16 111.60 1oaf n LYS 30 Ca -0.01 0.10 -0.15 0.00 -0.00 0.00 0.00 58.31 58.25 1oaf n LYS 30 Cb 0.47 -1.65 -0.01 0.00 0.00 0.00 0.00 35.03 33.85 1oaf n LYS 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1oaf n ARG 31 N -1.90 -1.34 -0.39 1.64 1.74 -0.70 -4.91 116.66 110.80 1oaf n ARG 31 Ca 0.06 0.73 0.08 0.00 -0.77 0.00 0.00 57.85 57.94 1oaf n ARG 31 Cb 0.39 -5.07 0.24 0.00 -1.02 0.00 0.00 32.46 27.00 1oaf n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1oaf h ALA 33 N 2.11 0.93 -0.70 0.00 0.00 -1.91 -1.45 119.26 118.24 1oaf h ALA 33 Ca 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1oaf h ALA 33 Cb 1.25 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1oaf h ALA 33 CO 0.17 -0.26 0.29 -1.35 0.00 0.00 0.00 179.25 178.09 1oaf h PRO 34 N 0.35 1.04 -0.56 0.00 0.11 -1.90 -0.88 132.00 130.17 1oaf h PRO 34 Ca 0.38 -0.18 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 1oaf h PRO 34 Cb 0.59 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 1oaf h PRO 34 CO -0.42 0.85 0.19 1.25 -0.21 0.00 0.00 178.00 179.66 1oaf h LEU 35 N 0.99 0.76 -0.44 2.35 5.85 -1.77 -0.44 115.31 122.62 1oaf h LEU 35 Ca 0.23 -0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.68 1oaf h LEU 35 Cb 0.19 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1oaf h LEU 35 CO -0.02 0.71 -0.40 0.24 -0.34 0.00 0.00 178.44 178.63 1oaf h MET 36 N 0.81 0.87 -0.46 1.25 2.86 -0.76 -0.49 114.93 119.01 1oaf h MET 36 Ca 0.19 -0.46 -0.02 0.00 -2.06 0.00 0.00 59.70 57.35 1oaf h MET 36 Cb 0.22 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1oaf h MET 36 CO -0.01 1.11 0.22 1.25 1.06 0.00 0.00 176.91 180.53 1oaf h LEU 37 N 0.71 0.61 -0.93 1.22 5.85 -0.88 -1.77 115.31 120.12 1oaf h LEU 37 Ca 0.05 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1oaf h LEU 37 Cb 0.98 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1oaf h LEU 37 CO 0.09 0.57 0.61 -0.09 -0.34 0.00 0.00 178.44 179.28 1oaf h ARG 38 N 0.61 1.15 -0.13 1.25 2.43 -0.91 -1.10 114.38 117.67 1oaf h ARG 38 Ca 0.16 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1oaf h ARG 38 Cb 0.13 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1oaf h ARG 38 CO -0.02 0.76 0.08 1.25 -1.51 0.00 0.00 179.97 180.53 1oaf h LEU 39 N 1.19 0.13 -0.72 3.80 5.85 -0.78 0.27 115.31 125.06 1oaf h LEU 39 Ca 0.37 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 1oaf h LEU 39 Cb -0.01 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1oaf h LEU 39 CO -0.12 0.10 0.37 0.00 -0.34 0.00 0.00 178.44 178.45 1oaf h ALA 40 N 1.05 0.92 -0.36 1.25 0.00 -1.03 -1.29 119.26 119.80 1oaf h ALA 40 Ca 0.05 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1oaf h ALA 40 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1oaf h ALA 40 CO -0.02 0.46 -0.08 2.35 0.00 0.00 0.00 179.25 181.96 1oaf h TRP 41 N 0.99 0.78 0.00 0.00 -0.00 -1.01 -1.79 115.95 114.93 1oaf h TRP 41 Ca 0.25 -0.17 -0.06 0.00 -0.00 0.00 0.00 58.89 58.92 1oaf h TRP 41 Cb 0.07 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 29.04 1oaf h TRP 41 CO 0.00 0.84 -0.27 0.45 -0.00 0.00 0.00 178.44 179.47 1oaf h HIS 42 N 0.49 0.00 -0.12 2.65 3.86 -0.79 0.12 115.15 121.36 1oaf h HIS 42 Ca 0.09 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1oaf h HIS 42 Cb 0.59 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.06 1oaf h HIS 42 CO 0.05 0.27 -0.06 1.03 0.86 0.00 0.00 177.93 180.08 1oaf h SER 43 N 0.00 0.26 0.54 2.45 0.87 -1.08 -3.35 113.55 113.24 1oaf h SER 43 Ca -0.00 -0.42 -0.23 0.00 -1.23 0.00 0.00 61.79 59.91 1oaf h SER 43 Cb 0.69 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1oaf h SER 43 CO 0.03 0.62 -1.00 0.00 -0.53 0.00 0.00 176.83 175.95 1oaf h ALA 44 N 0.65 0.35 0.00 6.23 0.00 -0.99 -3.25 119.26 122.24 1oaf h ALA 44 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1oaf h ALA 44 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1oaf h ALA 44 CO 0.02 0.92 0.00 0.41 0.00 0.00 0.00 179.25 180.59 1oaf n GLY 45 N 1.10 -0.88 0.09 0.00 0.00 0.40 -2.51 105.19 103.39 1oaf n GLY 45 Ca -0.06 -0.12 0.15 0.00 0.00 0.00 0.00 46.02 45.99 1oaf n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1oaf n THR 46 N -1.17 0.01 -2.06 2.61 -2.24 -1.26 -4.65 114.28 105.52 1oaf n THR 46 Ca 0.13 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 1oaf n THR 46 Cb 0.13 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 1oaf n THR 46 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1oaf s PHE 47 N -1.99 3.10 -0.21 4.78 5.36 -1.04 -4.02 117.98 123.95 1oaf s PHE 47 Ca 0.44 1.01 0.02 0.00 -0.96 0.00 0.00 56.93 57.44 1oaf s PHE 47 Cb 0.21 -3.78 0.04 0.00 -0.34 0.00 0.00 43.02 39.15 1oaf s PHE 47 CO 0.34 -2.57 -0.16 0.34 -1.46 0.00 0.00 175.22 171.72 1oaf s ASP 48 N 0.52 3.68 0.33 6.13 2.15 -0.27 -3.47 116.67 125.74 1oaf s ASP 48 Ca 0.61 -0.97 0.09 0.00 0.43 0.00 0.00 52.55 52.71 1oaf s ASP 48 Cb -0.40 -1.49 0.56 0.00 -0.30 0.00 0.00 42.92 41.29 1oaf s ASP 48 CO 0.39 -0.09 1.76 0.07 -0.17 0.00 0.00 175.17 177.14 1oaf h LYS 49 N 7.87 0.17 -0.42 4.34 2.10 -0.82 0.15 116.57 129.96 1oaf h LYS 49 Ca -0.34 -0.07 -0.12 0.00 -2.00 0.00 0.00 60.65 58.12 1oaf h LYS 49 Cb 1.10 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 1oaf h LYS 49 CO 0.56 0.52 -0.20 0.78 -2.00 0.00 0.00 179.45 179.10 1oaf h GLY 50 N 1.14 0.91 0.00 0.07 0.00 -1.85 -3.23 103.07 100.11 1oaf h GLY 50 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1oaf h GLY 50 CO 0.05 0.70 -1.05 -1.30 0.00 0.00 0.00 176.54 174.95 1oaf n THR 51 N -4.12 0.00 -3.29 4.70 -2.24 -1.16 -5.00 114.28 103.17 1oaf n THR 51 Ca 0.00 -0.15 -0.24 0.00 -2.27 0.00 0.00 64.05 61.39 1oaf n THR 51 Cb 0.43 0.81 0.04 0.00 -2.10 0.00 0.00 70.33 69.51 1oaf n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1oaf n LYS 52 N -1.57 -5.65 -4.17 -0.78 5.02 0.50 -5.01 118.16 106.49 1oaf n LYS 52 Ca 0.02 0.82 -0.22 0.00 -2.02 0.00 0.00 58.31 56.91 1oaf n LYS 52 Cb 0.32 -5.73 -0.05 0.00 -0.02 0.00 0.00 35.03 29.55 1oaf n LYS 52 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1oaf s THR 53 N -3.20 4.10 0.00 -0.18 -4.23 -1.16 -4.95 115.64 106.02 1oaf s THR 53 Ca 0.42 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1oaf s THR 53 Cb -0.19 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.43 1oaf s THR 53 CO 0.52 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1oaf n GLY 54 N -1.09 -0.57 0.44 3.99 0.00 -1.26 -1.11 105.19 105.59 1oaf n GLY 54 Ca -0.07 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1oaf n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oaf n GLY 55 N 0.00 -3.35 2.85 -0.02 0.00 -1.26 -4.64 105.19 98.77 1oaf n GLY 55 Ca 0.00 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1oaf n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1oaf n PRO 56 N -0.18 2.47 -1.04 1.61 -0.04 -1.23 -4.52 135.00 132.08 1oaf n PRO 56 Ca 0.00 -2.40 0.04 0.00 -0.04 0.00 0.00 63.50 61.10 1oaf n PRO 56 Cb 0.00 -3.19 0.13 0.00 -0.04 0.00 0.00 33.50 30.40 1oaf n PRO 56 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1oaf n PHE 57 N 6.56 0.15 -0.99 0.54 3.72 -1.26 -4.78 117.46 121.41 1oaf n PHE 57 Ca 0.51 -1.20 0.00 0.00 -0.05 0.00 0.00 57.45 56.72 1oaf n PHE 57 Cb 0.40 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1oaf n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1oaf n GLY 58 N -0.52 0.78 0.12 1.37 0.00 -1.26 -1.56 105.19 104.12 1oaf n GLY 58 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1oaf n GLY 58 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1oaf h THR 59 N 0.00 0.00 0.00 2.61 1.35 -1.87 -3.27 112.91 111.73 1oaf h THR 59 Ca 0.00 -0.42 -0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1oaf h THR 59 Cb 0.01 1.33 -0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1oaf h THR 59 CO 0.00 0.00 -0.00 -0.29 -0.25 0.00 0.00 175.52 174.98 1oaf h ILE 60 N 0.00 0.03 0.00 6.82 2.10 -1.93 -1.79 117.51 122.75 1oaf h ILE 60 Ca 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 1oaf h ILE 60 Cb 0.62 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 1oaf h ILE 60 CO 0.00 0.00 -0.08 2.29 -1.08 0.00 0.00 178.15 179.28 1oaf n LYS 61 N -3.12 0.10 -2.05 2.19 2.85 -1.23 -3.96 118.16 112.93 1oaf n LYS 61 Ca -0.02 0.07 -0.42 0.00 -1.05 0.00 0.00 58.31 56.90 1oaf n LYS 61 Cb 0.13 -1.61 -0.03 0.00 -0.65 0.00 0.00 35.03 32.87 1oaf n LYS 61 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1oaf s HIS 62 N -3.04 3.11 0.42 5.58 3.76 -0.67 -4.88 115.29 119.56 1oaf s HIS 62 Ca 0.12 0.93 0.19 0.00 -0.15 0.00 0.00 55.06 56.16 1oaf s HIS 62 Cb 0.16 -3.79 1.12 0.00 1.11 0.00 0.00 32.58 31.19 1oaf s HIS 62 CO 0.58 -2.70 1.81 -1.35 -0.85 0.00 0.00 174.74 172.23 1oaf h PRO 63 N 5.88 0.36 -0.67 8.40 0.11 -1.89 -1.59 132.00 142.59 1oaf h PRO 63 Ca -0.44 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1oaf h PRO 63 Cb 1.21 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1oaf h PRO 63 CO 0.83 0.24 0.38 0.00 -0.21 0.00 0.00 178.00 179.24 1oaf h ALA 64 N 1.60 0.86 0.04 -0.75 0.00 -1.93 -1.80 119.26 117.28 1oaf h ALA 64 Ca 0.54 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 55.11 1oaf h ALA 64 Cb 1.41 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1oaf h ALA 64 CO -0.22 0.37 -1.01 1.49 0.00 0.00 0.00 179.25 179.88 1oaf h GLU 65 N 0.92 0.33 0.00 0.00 4.81 -1.59 -3.12 114.58 115.93 1oaf h GLU 65 Ca 0.24 -0.41 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 1oaf h GLU 65 Cb 0.03 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1oaf h GLU 65 CO -0.04 1.11 -0.11 -0.07 -0.73 0.00 0.00 179.01 179.17 1oaf h LEU 66 N 0.17 0.00 -0.36 1.64 3.38 -1.17 -2.07 115.31 116.89 1oaf h LEU 66 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1oaf h LEU 66 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1oaf h LEU 66 CO 0.17 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.81 1oaf n ALA 67 N -2.36 1.93 -1.71 1.53 0.00 -0.69 -4.52 120.51 114.69 1oaf n ALA 67 Ca -0.02 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1oaf n ALA 67 Cb 0.21 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 1oaf n ALA 67 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1oaf n HIS 68 N -2.17 2.49 0.02 0.00 8.25 -0.78 -4.87 115.22 118.15 1oaf n HIS 68 Ca 0.04 0.36 0.04 0.00 -0.26 0.00 0.00 57.72 57.90 1oaf n HIS 68 Cb 0.31 -2.52 0.44 0.00 1.12 0.00 0.00 29.99 29.33 1oaf n HIS 68 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1oaf h SER 69 N 4.38 0.44 -0.05 0.41 4.64 -1.90 -0.33 113.55 121.15 1oaf h SER 69 Ca -0.46 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1oaf h SER 69 Cb 1.25 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1oaf h SER 69 CO 0.77 0.32 0.09 0.00 -0.87 0.00 0.00 176.83 177.13 1oaf h ALA 70 N 1.76 1.39 -0.66 5.18 0.00 -1.94 -2.36 119.26 122.62 1oaf h ALA 70 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1oaf h ALA 70 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1oaf h ALA 70 CO -0.03 -0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.20 1oaf n ASN 71 N -3.46 4.64 -4.64 0.00 3.02 -0.14 -4.99 115.26 109.70 1oaf n ASN 71 Ca -0.02 -2.38 -0.49 0.00 -0.03 0.00 0.00 54.58 51.66 1oaf n ASN 71 Cb 0.17 -0.57 -0.05 0.00 -0.61 0.00 0.00 39.78 38.72 1oaf n ASN 71 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1oaf n ASN 72 N 1.21 2.59 0.00 6.41 5.03 -0.89 -1.35 115.26 128.26 1oaf n ASN 72 Ca 0.26 1.09 0.00 0.00 0.87 0.00 0.00 54.58 56.80 1oaf n ASN 72 Cb 0.85 -1.33 0.00 0.00 -1.02 0.00 0.00 39.78 38.28 1oaf n ASN 72 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1oaf n GLY 73 N 3.19 3.33 0.18 7.41 0.00 -1.26 -4.83 105.19 113.20 1oaf n GLY 73 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1oaf n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1oaf h LEU 74 N 0.00 0.00 -1.64 0.99 3.38 -1.57 -2.31 115.31 114.16 1oaf h LEU 74 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1oaf h LEU 74 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1oaf h LEU 74 CO 0.00 0.00 0.37 -2.24 0.09 0.00 0.00 178.44 176.66 1oaf h ASP 75 N 0.00 0.38 -0.28 -0.43 2.03 -1.89 -1.51 116.42 114.72 1oaf h ASP 75 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1oaf h ASP 75 Cb 0.55 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.96 1oaf h ASP 75 CO 0.00 0.24 0.19 0.40 -1.03 0.00 0.00 179.24 179.04 1oaf h ILE 76 N 0.43 1.08 -0.48 4.15 2.04 -1.81 -1.57 117.51 121.35 1oaf h ILE 76 Ca 0.25 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 1oaf h ILE 76 Cb 0.40 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1oaf h ILE 76 CO -0.07 0.08 0.20 0.00 0.00 0.00 0.00 178.15 178.36 1oaf h ALA 77 N 1.10 0.62 -0.42 1.87 0.00 -1.41 -0.81 119.26 120.21 1oaf h ALA 77 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1oaf h ALA 77 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1oaf h ALA 77 CO -0.02 0.22 0.27 0.28 0.00 0.00 0.00 179.25 180.00 1oaf h VAL 78 N 0.63 1.12 -0.51 0.00 2.07 -1.25 -2.11 116.25 116.20 1oaf h VAL 78 Ca 0.16 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1oaf h VAL 78 Cb 0.18 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1oaf h VAL 78 CO -0.01 0.12 0.19 -0.09 0.02 0.00 0.00 177.57 177.80 1oaf h ARG 79 N 0.56 0.77 -0.94 1.57 2.43 -1.07 -2.36 114.38 115.34 1oaf h ARG 79 Ca 0.15 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1oaf h ARG 79 Cb -0.04 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.33 1oaf h ARG 79 CO -0.03 0.69 0.61 -0.07 -1.51 0.00 0.00 179.97 179.66 1oaf h LEU 80 N 0.69 0.98 0.00 3.80 3.38 -0.90 -2.72 115.31 120.53 1oaf h LEU 80 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1oaf h LEU 80 Cb 0.21 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1oaf h LEU 80 CO -0.01 0.64 -0.18 -0.07 0.09 0.00 0.00 178.44 178.91 1oaf h LEU 81 N 1.12 0.00 -0.48 1.67 3.38 -1.13 -3.39 115.31 116.47 1oaf h LEU 81 Ca 0.39 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1oaf h LEU 81 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1oaf h LEU 81 CO -0.14 0.02 0.31 -0.08 0.09 0.00 0.00 178.44 178.65 1oaf h GLU 82 N 0.00 0.64 -0.60 1.13 4.57 -1.09 -0.59 114.58 118.63 1oaf h GLU 82 Ca 0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1oaf h GLU 82 Cb 0.80 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 1oaf h GLU 82 CO 0.00 0.44 0.35 -1.35 -1.18 0.00 0.00 179.01 177.26 1oaf h PRO 83 N 0.65 0.82 -0.18 0.92 0.11 -1.76 -2.03 132.00 130.53 1oaf h PRO 83 Ca 0.18 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.11 1oaf h PRO 83 Cb -0.06 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 30.88 1oaf h PRO 83 CO -0.04 0.59 -0.28 -0.07 -0.21 0.00 0.00 178.00 177.99 1oaf h LEU 84 N 0.83 0.55 -1.01 2.35 3.38 -1.67 -3.07 115.31 116.68 1oaf h LEU 84 Ca 0.22 -0.53 0.09 0.00 0.09 0.00 0.00 57.88 57.75 1oaf h LEU 84 Cb -0.01 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 1oaf h LEU 84 CO -0.04 0.98 0.64 0.50 0.09 0.00 0.00 178.44 180.61 1oaf h LYS 85 N 0.15 1.07 0.00 1.13 1.63 -0.94 -1.40 116.57 118.22 1oaf h LYS 85 Ca 0.01 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1oaf h LYS 85 Cb 0.86 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1oaf h LYS 85 CO 0.06 0.71 -0.00 0.00 -3.45 0.00 0.00 179.45 176.77 1oaf h ALA 86 N 1.49 1.03 0.00 5.00 0.00 -1.28 0.14 119.26 125.64 1oaf h ALA 86 Ca 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1oaf h ALA 86 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1oaf h ALA 86 CO -0.21 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.43 1oaf n GLU 87 N -3.13 0.15 -3.18 0.00 1.02 -0.53 -4.13 120.64 110.85 1oaf n GLU 87 Ca -0.02 0.21 -0.24 0.00 -0.02 0.00 0.00 57.16 57.09 1oaf n GLU 87 Cb 0.11 -1.71 -0.05 0.00 -0.02 0.00 0.00 31.44 29.77 1oaf n GLU 87 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1oaf n PHE 88 N -1.98 2.00 0.25 -0.32 3.72 0.04 -4.95 117.46 116.22 1oaf n PHE 88 Ca 0.05 -3.90 0.13 0.00 -0.05 0.00 0.00 57.45 53.68 1oaf n PHE 88 Cb 0.33 -0.46 0.78 0.00 -0.94 0.00 0.00 39.48 39.19 1oaf n PHE 88 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1oaf h PRO 89 N 3.52 0.00 0.00 -1.08 0.13 -1.72 -2.29 132.00 130.56 1oaf h PRO 89 Ca 0.13 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.19 1oaf h PRO 89 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1oaf h PRO 89 CO 0.66 0.00 -0.31 0.97 -0.23 0.00 0.00 178.00 179.10 1oaf h ILE 90 N 0.00 1.00 -3.85 -3.56 2.10 -1.92 -3.44 117.51 107.83 1oaf h ILE 90 Ca 0.03 -1.15 -0.49 0.00 1.08 0.00 0.00 64.86 64.32 1oaf h ILE 90 Cb 0.12 1.66 0.01 0.00 -1.09 0.00 0.00 36.82 37.52 1oaf h ILE 90 CO -0.00 0.30 0.43 -0.76 -1.08 0.00 0.00 178.15 177.04 1oaf s LEU 91 N -7.70 4.43 0.54 2.19 1.43 -0.87 -5.03 118.68 113.69 1oaf s LEU 91 Ca -0.02 2.13 -0.20 0.00 -1.03 0.00 0.00 54.13 55.01 1oaf s LEU 91 Cb 0.13 -3.81 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 1oaf s LEU 91 CO 0.68 -0.20 1.19 -0.94 0.23 0.00 0.00 176.35 177.31 1oaf s SER 92 N -1.16 5.59 0.34 2.29 1.04 -1.26 -4.93 113.70 115.60 1oaf s SER 92 Ca 0.48 2.34 0.04 0.00 0.48 0.00 0.00 55.95 59.28 1oaf s SER 92 Cb -0.27 -2.60 0.65 0.00 0.10 0.00 0.00 66.02 63.90 1oaf s SER 92 CO 0.35 -1.32 1.95 1.88 0.98 0.00 0.00 173.24 177.08 1oaf h TYR 93 N 1.30 0.87 -0.01 5.02 -1.99 -1.94 -1.29 116.97 118.94 1oaf h TYR 93 Ca -0.50 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.27 1oaf h TYR 93 Cb 1.28 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 39.70 1oaf h TYR 93 CO 0.49 0.47 -0.09 0.00 -0.00 0.00 0.00 178.16 179.04 1oaf h ALA 94 N 1.57 -0.08 -0.57 3.88 0.00 -1.86 0.39 119.26 122.59 1oaf h ALA 94 Ca 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1oaf h ALA 94 Cb 0.20 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1oaf h ALA 94 CO -0.11 -0.58 0.22 -0.44 0.00 0.00 0.00 179.25 178.34 1oaf h ASP 95 N -0.15 0.79 -0.40 0.00 3.32 -1.75 -2.49 116.42 115.74 1oaf h ASP 95 Ca 0.04 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1oaf h ASP 95 Cb 0.20 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1oaf h ASP 95 CO -0.10 0.75 0.23 0.15 -1.72 0.00 0.00 179.24 178.55 1oaf h PHE 96 N 0.78 0.54 -0.56 4.55 3.57 -0.67 0.65 116.94 125.80 1oaf h PHE 96 Ca 0.19 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 1oaf h PHE 96 Cb 0.21 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1oaf h PHE 96 CO 0.01 0.40 -0.07 1.88 -2.23 0.00 0.00 178.31 178.30 1oaf h TYR 97 N 0.53 1.15 -0.49 0.41 0.05 -0.92 -0.45 116.97 117.25 1oaf h TYR 97 Ca 0.14 -0.23 -0.10 0.00 0.05 0.00 0.00 58.73 58.60 1oaf h TYR 97 Cb 0.03 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.46 1oaf h TYR 97 CO -0.03 1.05 -0.08 1.96 -1.05 0.00 0.00 178.16 180.01 1oaf h GLN 98 N 0.92 0.88 -0.69 4.88 1.08 -1.24 -1.82 115.11 119.12 1oaf h GLN 98 Ca 0.15 -0.29 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1oaf h GLN 98 Cb 0.64 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.96 1oaf h GLN 98 CO 0.04 0.93 0.35 1.25 -0.95 0.00 0.00 178.83 180.45 1oaf h LEU 99 N 0.80 0.89 -1.20 1.46 5.85 -0.67 -1.80 115.31 120.64 1oaf h LEU 99 Ca 0.14 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1oaf h LEU 99 Cb 0.59 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1oaf h LEU 99 CO 0.04 0.76 0.55 0.00 -0.34 0.00 0.00 178.44 179.44 1oaf h ALA 100 N 1.17 1.45 -0.59 1.25 0.00 -0.75 0.03 119.26 121.82 1oaf h ALA 100 Ca 0.24 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1oaf h ALA 100 Cb 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1oaf h ALA 100 CO -0.03 0.48 -0.00 0.78 0.00 0.00 0.00 179.25 180.48 1oaf h GLY 101 N 1.07 1.13 0.98 0.00 0.00 -0.84 0.48 103.07 105.89 1oaf h GLY 101 Ca 0.32 -0.83 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1oaf h GLY 101 CO -0.08 0.77 0.23 -2.08 0.00 0.00 0.00 176.54 175.37 1oaf h VAL 102 N 0.94 1.22 -0.55 4.60 2.07 -0.94 -2.76 116.25 120.83 1oaf h VAL 102 Ca 0.17 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 1oaf h VAL 102 Cb 0.56 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1oaf h VAL 102 CO 0.03 0.25 -0.03 0.58 0.02 0.00 0.00 177.57 178.42 1oaf h VAL 103 N 0.73 1.26 -0.65 2.57 2.07 -0.82 -1.91 116.25 119.51 1oaf h VAL 103 Ca 0.18 -1.14 0.09 0.00 0.82 0.00 0.00 66.70 66.65 1oaf h VAL 103 Cb 0.18 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 1oaf h VAL 103 CO -0.02 0.41 0.29 0.00 0.02 0.00 0.00 177.57 178.27 1oaf h ALA 104 N 1.08 0.87 -0.33 1.67 0.00 -0.67 0.27 119.26 122.14 1oaf h ALA 104 Ca 0.16 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1oaf h ALA 104 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1oaf h ALA 104 CO 0.03 -0.12 0.02 0.28 0.00 0.00 0.00 179.25 179.46 1oaf h VAL 105 N 0.50 1.25 -0.20 0.00 2.07 -1.22 -3.03 116.25 115.62 1oaf h VAL 105 Ca 0.32 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1oaf h VAL 105 Cb 0.36 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1oaf h VAL 105 CO -0.28 0.30 0.07 -0.08 0.02 0.00 0.00 177.57 177.60 1oaf h GLU 106 N 0.38 0.30 0.00 1.57 4.81 -0.62 0.32 114.58 121.34 1oaf h GLU 106 Ca 0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1oaf h GLU 106 Cb 0.41 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1oaf h GLU 106 CO 0.01 0.38 0.00 -0.39 -0.73 0.00 0.00 179.01 178.28 1oaf h VAL 107 N 0.16 0.00 -0.21 0.32 -1.51 -1.02 -1.33 116.25 112.66 1oaf h VAL 107 Ca 0.07 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1oaf h VAL 107 Cb 0.20 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 1oaf h VAL 107 CO -0.00 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.69 1oaf n THR 108 N -2.81 0.27 -0.35 7.19 -2.24 -1.15 -4.93 114.28 110.27 1oaf n THR 108 Ca 0.02 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1oaf n THR 108 Cb 0.32 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1oaf n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oaf n GLY 109 N 1.09 0.80 1.53 3.38 0.00 -0.50 -0.76 105.19 110.74 1oaf n GLY 109 Ca 0.15 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1oaf n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oaf n GLY 110 N -2.35 -0.17 3.74 -0.02 0.00 0.09 -4.78 105.19 101.71 1oaf n GLY 110 Ca 0.00 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 1oaf n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1oaf s PRO 111 N -3.77 2.06 -0.62 1.61 0.04 -1.26 -4.58 135.00 128.48 1oaf s PRO 111 Ca 0.28 1.34 -0.25 0.00 0.04 0.00 0.00 61.00 62.41 1oaf s PRO 111 Cb -0.01 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.71 1oaf s PRO 111 CO 0.19 -1.81 1.05 -1.21 0.04 0.00 0.00 177.00 175.25 1oaf s GLU 112 N -4.64 3.26 -0.15 4.56 2.02 -1.26 -4.27 118.70 118.22 1oaf s GLU 112 Ca 0.64 -0.37 -0.26 0.00 0.02 0.00 0.00 54.97 55.00 1oaf s GLU 112 Cb -0.20 -4.13 -0.01 0.00 0.10 0.00 0.00 34.13 29.89 1oaf s GLU 112 CO 0.53 -1.74 0.87 0.08 0.02 0.00 0.00 175.26 175.02 1oaf s VAL 113 N 4.46 4.86 0.46 2.63 1.01 -1.26 -5.00 120.40 127.56 1oaf s VAL 113 Ca 0.30 1.72 -0.25 0.00 0.00 0.00 0.00 61.98 63.75 1oaf s VAL 113 Cb -0.12 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 1oaf s VAL 113 CO 0.16 0.03 1.42 -2.84 0.00 0.00 0.00 175.10 173.87 1oaf s PRO 114 N 2.08 3.61 -0.06 2.72 0.02 -1.26 -5.01 135.00 137.10 1oaf s PRO 114 Ca 0.40 2.39 0.02 0.00 0.02 0.00 0.00 61.00 63.84 1oaf s PRO 114 Cb -0.17 -2.60 0.01 0.00 0.02 0.00 0.00 34.50 31.76 1oaf s PRO 114 CO 0.14 -0.87 -0.12 0.12 -0.33 0.00 0.00 177.00 175.94 1oaf s PHE 115 N -1.22 1.42 -0.09 6.54 5.36 -1.26 -4.79 117.98 123.95 1oaf s PHE 115 Ca 0.62 -0.51 0.03 0.00 -0.96 0.00 0.00 56.93 56.12 1oaf s PHE 115 Cb -0.43 -1.04 0.01 0.00 -0.34 0.00 0.00 43.02 41.22 1oaf s PHE 115 CO 0.55 -0.26 -0.17 -1.01 -1.46 0.00 0.00 175.22 172.87 1oaf s HIS 116 N 0.61 1.96 0.73 10.12 3.76 -1.26 -5.14 115.29 126.07 1oaf s HIS 116 Ca -0.13 -0.80 -0.10 0.00 -0.15 0.00 0.00 55.06 53.88 1oaf s HIS 116 Cb -0.15 -1.37 0.04 0.00 1.11 0.00 0.00 32.58 32.21 1oaf s HIS 116 CO 0.03 -0.37 1.10 -1.25 -0.85 0.00 0.00 174.74 173.40 1oaf s PRO 117 N 0.60 2.44 0.00 8.40 0.04 -1.26 -4.78 135.00 140.45 1oaf s PRO 117 Ca -0.15 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.08 1oaf s PRO 117 Cb -0.16 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1oaf s PRO 117 CO 0.05 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.26 1oaf n GLY 118 N -3.07 0.63 3.75 0.56 0.00 -1.26 -4.57 105.19 101.23 1oaf n GLY 118 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1oaf n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oaf s ARG 119 N 0.00 4.31 -0.13 1.61 0.52 -1.26 -4.94 118.95 119.06 1oaf s ARG 119 Ca 0.00 2.23 -0.09 0.00 -0.52 0.00 0.00 55.73 57.35 1oaf s ARG 119 Cb 0.00 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 1oaf s ARG 119 CO 0.00 -0.35 0.18 -1.21 0.02 0.00 0.00 175.30 173.94 1oaf s GLU 120 N -0.50 3.72 0.16 3.54 2.02 -1.26 -4.51 118.70 121.87 1oaf s GLU 120 Ca 0.57 -0.08 -0.31 0.00 0.02 0.00 0.00 54.97 55.18 1oaf s GLU 120 Cb -0.40 -3.26 -0.09 0.00 0.10 0.00 0.00 34.13 30.48 1oaf s GLU 120 CO 0.43 0.62 1.40 -0.51 0.02 0.00 0.00 175.26 177.22 1oaf s ASP 121 N -0.61 6.79 0.09 -0.19 1.01 -1.26 -4.76 116.67 117.74 1oaf s ASP 121 Ca 0.14 2.43 0.01 0.00 0.71 0.00 0.00 52.55 55.84 1oaf s ASP 121 Cb -0.12 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 1oaf s ASP 121 CO 0.04 -0.65 0.19 -0.54 0.21 0.00 0.00 175.17 174.42 1oaf s LYS 122 N 0.62 3.29 0.17 8.23 1.02 -0.60 -5.04 119.74 127.42 1oaf s LYS 122 Ca 0.63 -0.55 -0.01 0.00 0.02 0.00 0.00 55.97 56.05 1oaf s LYS 122 Cb -0.38 -2.93 0.05 0.00 -0.52 0.00 0.00 37.83 34.04 1oaf s LYS 122 CO 0.34 0.58 1.43 -1.00 -0.92 0.00 0.00 175.35 175.77 1oaf h PRO 123 N 2.91 0.39 -5.25 -1.68 0.13 -1.95 -3.43 132.00 123.11 1oaf h PRO 123 Ca -0.46 -0.33 -0.67 0.00 -0.87 0.00 0.00 66.00 63.67 1oaf h PRO 123 Cb 1.17 0.07 -0.32 0.00 0.13 0.00 0.00 31.00 32.05 1oaf h PRO 123 CO 0.72 0.97 -0.84 -1.21 -0.23 0.00 0.00 178.00 177.41 1oaf s GLU 124 N -3.57 3.13 0.72 0.86 2.02 -1.26 -5.07 118.70 115.53 1oaf s GLU 124 Ca -0.05 -0.81 -0.15 0.00 0.02 0.00 0.00 54.97 53.97 1oaf s GLU 124 Cb 0.10 -2.48 0.03 0.00 0.10 0.00 0.00 34.13 31.89 1oaf s GLU 124 CO 0.84 0.08 1.22 -2.14 0.02 0.00 0.00 175.26 175.28 1oaf s PRO 125 N 0.62 2.17 0.88 0.39 0.02 -1.26 -4.92 135.00 132.90 1oaf s PRO 125 Ca -0.10 1.82 -0.12 0.00 0.02 0.00 0.00 61.00 62.62 1oaf s PRO 125 Cb -0.16 -1.83 0.12 0.00 0.02 0.00 0.00 34.50 32.64 1oaf s PRO 125 CO 0.03 -1.82 1.11 -1.25 -0.33 0.00 0.00 177.00 174.73 1oaf s PRO 126 N -3.82 1.42 0.64 5.54 0.04 -1.26 -5.01 135.00 132.55 1oaf s PRO 126 Ca 0.76 0.56 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 1oaf s PRO 126 Cb -0.31 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1oaf s PRO 126 CO 0.44 -2.07 1.20 -1.25 0.04 0.00 0.00 177.00 175.37 1oaf s PRO 127 N -5.12 2.72 0.52 0.56 0.04 -1.26 -5.00 135.00 127.47 1oaf s PRO 127 Ca 0.63 1.77 -0.20 0.00 0.04 0.00 0.00 61.00 63.23 1oaf s PRO 127 Cb -0.16 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 1oaf s PRO 127 CO 0.55 -1.39 1.14 -2.00 0.04 0.00 0.00 177.00 175.34 1oaf s GLU 128 N -3.57 3.45 0.00 4.56 2.12 -1.26 -4.38 118.70 119.62 1oaf s GLU 128 Ca 0.76 1.65 0.00 0.00 0.36 0.00 0.00 54.97 57.73 1oaf s GLU 128 Cb -0.29 -2.10 0.00 0.00 0.26 0.00 0.00 34.13 32.00 1oaf s GLU 128 CO 0.37 -0.78 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 1oaf n GLY 129 N 0.22 1.11 0.12 -1.50 0.00 -1.26 -5.01 105.19 98.87 1oaf n GLY 129 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 1oaf n GLY 129 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1oaf h ARG 130 N 2.14 0.00 -7.21 1.61 3.08 -1.94 -3.47 114.38 108.58 1oaf h ARG 130 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1oaf h ARG 130 Cb 0.00 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.11 1oaf h ARG 130 CO 0.00 0.28 0.38 -0.51 -1.07 0.00 0.00 179.97 179.05 1oaf s LEU 131 N -5.92 3.48 0.69 3.04 1.43 -1.26 -4.91 118.68 115.24 1oaf s LEU 131 Ca -0.00 1.75 -0.14 0.00 -1.03 0.00 0.00 54.13 54.71 1oaf s LEU 131 Cb 0.08 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.80 1oaf s LEU 131 CO 0.78 -1.08 1.10 -2.16 0.23 0.00 0.00 176.35 175.23 1oaf s PRO 132 N -4.18 2.65 -0.28 1.29 0.04 -1.26 -5.02 135.00 128.24 1oaf s PRO 132 Ca 0.62 1.31 -0.09 0.00 0.04 0.00 0.00 61.00 62.88 1oaf s PRO 132 Cb -0.15 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1oaf s PRO 132 CO 0.38 -1.35 0.13 0.34 0.04 0.00 0.00 177.00 176.53 1oaf s ASP 133 N -2.86 5.46 0.44 6.66 -1.08 -1.26 -4.99 116.67 119.04 1oaf s ASP 133 Ca 0.65 -0.32 0.30 0.00 -0.52 0.00 0.00 52.55 52.67 1oaf s ASP 133 Cb -0.19 -1.99 1.55 0.00 -1.46 0.00 0.00 42.92 40.83 1oaf s ASP 133 CO 0.46 -0.11 1.92 0.00 0.52 0.00 0.00 175.17 177.97 1oaf h ALA 134 N 8.31 1.00 -0.01 3.66 0.00 -2.00 -2.28 119.26 127.94 1oaf h ALA 134 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1oaf h ALA 134 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1oaf h ALA 134 CO 0.59 0.00 -0.24 0.25 0.00 0.00 0.00 179.25 179.85 1oaf n THR 135 N -2.60 0.00 -2.97 0.00 -2.24 -1.26 -1.63 114.28 103.58 1oaf n THR 135 Ca -0.01 -0.21 -0.19 0.00 -2.27 0.00 0.00 64.05 61.38 1oaf n THR 135 Cb 0.11 0.68 0.07 0.00 -2.10 0.00 0.00 70.33 69.09 1oaf n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1oaf n LYS 136 N -0.22 0.53 0.00 -0.78 5.02 -0.86 -4.83 118.16 117.03 1oaf n LYS 136 Ca 0.13 -2.87 0.00 0.00 -2.02 0.00 0.00 58.31 53.55 1oaf n LYS 136 Cb 0.39 -0.28 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 1oaf n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oaf n GLY 137 N -1.69 5.37 0.28 0.72 0.00 -1.26 -3.53 105.19 105.07 1oaf n GLY 137 Ca 0.15 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 1oaf n GLY 137 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1oaf h SER 138 N 0.00 0.89 -0.50 1.61 0.02 -1.93 -1.46 113.55 112.18 1oaf h SER 138 Ca 0.00 -0.31 0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1oaf h SER 138 Cb 0.00 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 1oaf h SER 138 CO 0.00 1.06 0.32 0.44 -1.14 0.00 0.00 176.83 177.50 1oaf h ASP 139 N 0.77 0.53 -0.51 3.07 3.32 -1.99 -1.47 116.42 120.14 1oaf h ASP 139 Ca 0.11 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1oaf h ASP 139 Cb 0.73 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1oaf h ASP 139 CO 0.06 0.38 0.19 -0.74 -1.72 0.00 0.00 179.24 177.41 1oaf h HIS 140 N 0.64 0.79 -0.96 4.55 2.76 -1.84 -1.42 115.15 119.67 1oaf h HIS 140 Ca 0.19 -0.07 0.06 0.00 -2.20 0.00 0.00 60.37 58.35 1oaf h HIS 140 Cb -0.04 -0.23 -0.06 0.00 1.55 0.00 0.00 27.41 28.62 1oaf h HIS 140 CO -0.05 0.66 0.62 -0.07 -1.30 0.00 0.00 177.93 177.79 1oaf h LEU 141 N 0.69 1.00 -0.74 0.26 3.38 -0.92 -1.77 115.31 117.21 1oaf h LEU 141 Ca 0.17 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 1oaf h LEU 141 Cb 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1oaf h LEU 141 CO -0.01 0.65 -0.49 0.03 0.09 0.00 0.00 178.44 178.71 1oaf h ARG 142 N 1.15 0.34 -0.77 1.13 3.08 -0.96 -0.62 114.38 117.72 1oaf h ARG 142 Ca 0.41 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 1oaf h ARG 142 Cb 0.12 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1oaf h ARG 142 CO -0.16 0.76 0.38 -0.44 -1.07 0.00 0.00 179.97 179.44 1oaf h ASP 143 N 0.27 1.00 0.00 7.04 3.32 -0.56 -0.00 116.42 127.48 1oaf h ASP 143 Ca 0.01 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1oaf h ASP 143 Cb 0.96 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 1oaf h ASP 143 CO 0.08 0.85 -0.18 0.58 -1.72 0.00 0.00 179.24 178.85 1oaf h VAL 144 N 1.09 0.92 0.05 -1.35 2.07 -1.19 -2.06 116.25 115.77 1oaf h VAL 144 Ca 0.27 -1.75 -0.25 0.00 0.82 0.00 0.00 66.70 65.79 1oaf h VAL 144 Cb 0.10 1.80 0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1oaf h VAL 144 CO -0.04 0.31 -1.05 -0.26 0.02 0.00 0.00 177.57 176.56 1oaf h PHE 145 N -1.00 0.61 0.00 1.57 -1.00 -1.23 -2.07 116.94 113.82 1oaf h PHE 145 Ca -0.04 -0.37 0.00 0.00 2.81 0.00 0.00 57.97 60.38 1oaf h PHE 145 Cb 0.64 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.15 1oaf h PHE 145 CO 0.12 1.21 -0.23 0.41 -1.61 0.00 0.00 178.31 178.21 1oaf n GLY 146 N 1.14 -0.71 0.32 -1.45 0.00 -0.14 -0.56 105.19 103.80 1oaf n GLY 146 Ca -0.08 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 1oaf n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oaf h LYS 147 N -0.44 1.12 0.00 1.61 1.57 -1.14 -1.66 116.57 117.63 1oaf h LYS 147 Ca 0.00 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1oaf h LYS 147 Cb 0.23 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1oaf h LYS 147 CO 0.00 0.99 -0.29 0.00 -0.57 0.00 0.00 179.45 179.58 1oaf h ALA 148 N 1.10 0.00 0.00 3.86 0.00 -1.39 -3.42 119.26 119.41 1oaf h ALA 148 Ca 0.22 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1oaf h ALA 148 Cb 0.39 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1oaf h ALA 148 CO 0.00 0.29 -0.64 0.52 0.00 0.00 0.00 179.25 179.43 1oaf h MET 149 N -0.80 0.00 0.00 0.00 2.86 -1.39 0.22 114.93 115.82 1oaf h MET 149 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1oaf h MET 149 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1oaf h MET 149 CO 0.00 0.64 0.00 0.41 1.06 0.00 0.00 176.91 179.02 1oaf n GLY 150 N 0.55 0.60 3.95 8.32 0.00 -0.62 -4.71 105.19 113.28 1oaf n GLY 150 Ca -0.00 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 1oaf n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oaf s LEU 151 N 0.00 3.75 0.57 0.99 1.43 0.27 -4.97 118.68 120.72 1oaf s LEU 151 Ca 0.00 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1oaf s LEU 151 Cb 0.00 -3.20 0.04 0.00 0.03 0.00 0.00 46.19 43.06 1oaf s LEU 151 CO 0.00 -0.59 0.80 0.42 0.23 0.00 0.00 176.35 177.21 1oaf s THR 152 N -2.49 2.62 0.29 5.49 -4.23 -1.26 -4.06 115.64 112.00 1oaf s THR 152 Ca 0.46 -0.63 -0.02 0.00 -1.18 0.00 0.00 61.69 60.32 1oaf s THR 152 Cb -0.10 -2.98 0.21 0.00 1.34 0.00 0.00 72.50 70.97 1oaf s THR 152 CO 0.37 0.00 1.90 0.44 -0.54 0.00 0.00 174.62 176.79 1oaf h ASP 153 N 0.00 0.86 -0.61 3.99 3.32 -1.99 -1.68 116.42 120.31 1oaf h ASP 153 Ca -0.42 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1oaf h ASP 153 Cb 1.30 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 1oaf h ASP 153 CO 0.52 0.72 0.39 -0.61 -1.72 0.00 0.00 179.24 178.54 1oaf h GLN 154 N 0.96 0.82 -0.75 3.56 4.15 -1.95 -2.35 115.11 119.56 1oaf h GLN 154 Ca 0.24 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 1oaf h GLN 154 Cb 0.07 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.55 1oaf h GLN 154 CO -0.03 0.57 0.38 -0.44 -1.93 0.00 0.00 178.83 177.37 1oaf h ASP 155 N 0.83 0.96 -0.26 -0.69 3.32 -1.73 -1.46 116.42 117.38 1oaf h ASP 155 Ca 0.22 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.19 1oaf h ASP 155 Cb -0.06 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1oaf h ASP 155 CO -0.04 0.80 0.13 0.40 -1.72 0.00 0.00 179.24 178.81 1oaf h ILE 156 N 1.06 1.00 -0.19 0.35 2.04 -0.82 -0.03 117.51 120.92 1oaf h ILE 156 Ca 0.26 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.95 1oaf h ILE 156 Cb 0.08 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1oaf h ILE 156 CO -0.04 0.05 -0.18 0.58 0.00 0.00 0.00 178.15 178.56 1oaf h VAL 157 N 0.28 1.33 -0.36 1.67 2.07 -1.16 -1.75 116.25 118.33 1oaf h VAL 157 Ca 0.11 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1oaf h VAL 157 Cb 0.02 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1oaf h VAL 157 CO -0.07 0.40 0.19 0.00 0.02 0.00 0.00 177.57 178.11 1oaf h ALA 158 N 0.64 0.46 -0.18 1.67 0.00 -1.20 -2.70 119.26 117.95 1oaf h ALA 158 Ca 0.03 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1oaf h ALA 158 Cb 0.72 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1oaf h ALA 158 CO 0.05 0.01 -0.15 -0.07 0.00 0.00 0.00 179.25 179.08 1oaf h LEU 159 N 0.45 0.28 -2.17 0.00 3.38 -1.01 -1.41 115.31 114.83 1oaf h LEU 159 Ca 0.13 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1oaf h LEU 159 Cb 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1oaf h LEU 159 CO -0.02 0.46 0.11 0.28 0.09 0.00 0.00 178.44 179.36 1oaf h SER 160 N 0.27 0.00 0.17 -0.43 0.02 -0.99 0.26 113.55 112.86 1oaf h SER 160 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1oaf h SER 160 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1oaf h SER 160 CO 0.03 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 1oaf n GLY 161 N -1.47 -0.67 0.38 -3.77 0.00 -0.53 -1.94 105.19 97.19 1oaf n GLY 161 Ca 0.00 -0.02 0.20 0.00 0.00 0.00 0.00 46.02 46.21 1oaf n GLY 161 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1oaf h GLY 162 N 0.83 0.00 1.60 -0.02 0.00 -1.06 -0.46 103.07 103.95 1oaf h GLY 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1oaf h GLY 162 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 1oaf n HIS 163 N -3.91 0.00 0.32 5.60 8.25 -0.82 -2.33 115.22 122.32 1oaf n HIS 163 Ca 0.07 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.74 1oaf n HIS 163 Cb 0.57 -0.30 1.10 0.00 1.12 0.00 0.00 29.99 32.48 1oaf n HIS 163 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1oaf h THR 164 N 0.00 0.00 -3.53 1.59 1.03 -1.31 -3.40 112.91 107.28 1oaf h THR 164 Ca 0.00 -0.08 -0.66 0.00 -0.01 0.00 0.00 66.41 65.65 1oaf h THR 164 Cb 0.13 1.05 -0.18 0.00 -1.07 0.00 0.00 68.15 68.08 1oaf h THR 164 CO 0.00 0.00 -0.79 0.27 -0.01 0.00 0.00 175.52 174.99 1oaf s ILE 165 N -4.03 2.85 0.00 0.00 -4.36 -0.99 -4.64 121.20 110.04 1oaf s ILE 165 Ca -0.04 -1.59 0.00 0.00 -0.26 0.00 0.00 60.65 58.76 1oaf s ILE 165 Cb 0.12 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.50 1oaf s ILE 165 CO 0.42 0.04 0.00 0.61 0.24 0.00 0.00 174.94 176.24 1oaf n GLY 166 N 0.59 -1.85 3.39 6.27 0.00 0.49 -4.93 105.19 109.16 1oaf n GLY 166 Ca -0.14 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 1oaf n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oaf s ALA 167 N -1.53 -1.38 0.41 4.61 0.00 -1.26 -3.67 121.76 118.94 1oaf s ALA 167 Ca 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 1oaf s ALA 167 Cb 0.00 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 1oaf s ALA 167 CO 0.00 -0.73 0.65 0.00 0.00 0.00 0.00 175.76 175.69 1oaf s ALA 168 N -3.76 3.58 -0.05 0.00 0.00 -0.44 -4.89 121.76 116.20 1oaf s ALA 168 Ca 0.02 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1oaf s ALA 168 Cb -0.00 -2.31 0.02 0.00 0.00 0.00 0.00 23.12 20.83 1oaf s ALA 168 CO -0.13 -0.18 -0.06 -1.01 0.00 0.00 0.00 175.76 174.38 1oaf s HIS 169 N -2.51 0.90 0.44 0.00 3.76 -0.77 -1.30 115.29 115.82 1oaf s HIS 169 Ca 0.43 -0.28 0.28 0.00 -0.15 0.00 0.00 55.06 55.35 1oaf s HIS 169 Cb -0.10 -0.75 1.52 0.00 1.11 0.00 0.00 32.58 34.36 1oaf s HIS 169 CO 0.40 -0.21 2.11 1.57 -0.85 0.00 0.00 174.74 177.75 1oaf h LYS 170 N 7.16 0.00 0.00 1.40 2.10 -1.61 0.22 116.57 125.85 1oaf h LYS 170 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1oaf h LYS 170 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1oaf h LYS 170 CO 0.47 0.10 -0.13 -0.85 -2.00 0.00 0.00 179.45 177.03 1oaf n GLU 171 N -3.67 0.07 0.00 0.07 0.00 -1.26 -3.02 120.64 112.83 1oaf n GLU 171 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1oaf n GLU 171 Cb 0.21 -1.57 0.00 0.00 0.00 0.00 0.00 31.44 30.08 1oaf n GLU 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1oaf n ARG 172 N -1.68 0.00 0.09 3.44 1.74 0.03 -4.83 116.66 115.44 1oaf n ARG 172 Ca 0.06 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.03 1oaf n ARG 172 Cb 0.36 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.73 1oaf n ARG 172 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1oaf h SER 173 N 0.00 0.33 0.00 0.55 4.64 -1.74 -3.47 113.55 113.86 1oaf h SER 173 Ca 0.00 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1oaf h SER 173 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1oaf h SER 173 CO 0.00 1.16 0.00 0.61 -0.87 0.00 0.00 176.83 177.73 1oaf n GLY 174 N 1.17 1.97 3.73 -0.77 0.00 -0.97 -5.01 105.19 105.31 1oaf n GLY 174 Ca -0.05 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 1oaf n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oaf s PHE 175 N -1.53 2.36 -0.14 1.61 0.40 -1.26 -4.38 117.98 115.04 1oaf s PHE 175 Ca 0.00 1.39 -0.07 0.00 -0.60 0.00 0.00 56.93 57.65 1oaf s PHE 175 Cb 0.00 -3.13 0.06 0.00 0.51 0.00 0.00 43.02 40.46 1oaf s PHE 175 CO 0.00 -2.22 0.32 -2.00 0.70 0.00 0.00 175.22 172.02 1oaf s GLU 176 N -4.90 0.27 0.00 0.44 2.56 -1.26 -1.84 118.70 113.97 1oaf s GLU 176 Ca 0.63 0.69 0.00 0.00 0.00 0.00 0.00 54.97 56.29 1oaf s GLU 176 Cb -0.18 -0.04 0.00 0.00 2.00 0.00 0.00 34.13 35.91 1oaf s GLU 176 CO 0.57 -0.18 0.00 0.41 -0.56 0.00 0.00 175.26 175.49 1oaf n GLY 177 N 4.47 1.69 3.84 -1.50 0.00 -0.42 -4.73 105.19 108.54 1oaf n GLY 177 Ca -0.21 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.41 1oaf n GLY 177 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1oaf s PRO 178 N -1.88 4.04 0.34 1.61 0.04 -1.26 -1.32 135.00 136.57 1oaf s PRO 178 Ca 0.00 0.85 0.18 0.00 0.04 0.00 0.00 61.00 62.07 1oaf s PRO 178 Cb 0.00 -2.28 0.33 0.00 0.04 0.00 0.00 34.50 32.59 1oaf s PRO 178 CO 0.00 -0.02 1.57 -1.49 0.04 0.00 0.00 177.00 177.10 1oaf h TRP 179 N 1.72 0.00 -3.22 0.56 6.55 -1.78 -0.49 115.95 119.30 1oaf h TRP 179 Ca -0.48 0.00 -0.38 0.00 0.95 0.00 0.00 58.89 58.98 1oaf h TRP 179 Cb 1.18 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 29.34 1oaf h TRP 179 CO 0.62 0.37 -0.68 0.95 -1.05 0.00 0.00 178.44 178.65 1oaf s THR 180 N -3.18 1.20 -0.99 1.49 -4.23 -1.26 -4.57 115.64 104.10 1oaf s THR 180 Ca 0.03 -2.07 0.22 0.00 -1.18 0.00 0.00 61.69 58.70 1oaf s THR 180 Cb 0.08 -2.19 0.19 0.00 1.34 0.00 0.00 72.50 71.92 1oaf s THR 180 CO 0.71 -0.47 1.71 -1.20 -0.54 0.00 0.00 174.62 174.83 1oaf n SER 181 N -0.37 0.03 -3.36 3.99 7.64 -1.26 -4.07 113.62 116.21 1oaf n SER 181 Ca -0.07 0.50 -0.26 0.00 1.01 0.00 0.00 58.87 60.06 1oaf n SER 181 Cb 0.63 -0.51 -0.09 0.00 -1.01 0.00 0.00 64.21 63.23 1oaf n SER 181 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1oaf n ASN 182 N -1.53 0.73 0.00 6.43 3.02 -1.26 -5.00 115.26 117.66 1oaf n ASN 182 Ca 0.05 -2.74 0.07 0.00 -0.03 0.00 0.00 54.58 51.93 1oaf n ASN 182 Cb 0.26 -0.63 0.35 0.00 -0.61 0.00 0.00 39.78 39.16 1oaf n ASN 182 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1oaf n PRO 183 N 1.88 0.16 -0.36 3.52 -0.04 -1.26 -1.58 135.00 137.32 1oaf n PRO 183 Ca 0.25 0.17 0.08 0.00 -0.04 0.00 0.00 63.50 63.96 1oaf n PRO 183 Cb 0.48 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.68 1oaf n PRO 183 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1oaf n LEU 184 N -1.33 3.70 -4.22 1.53 4.77 -1.26 -0.38 117.00 119.81 1oaf n LEU 184 Ca 0.06 -2.31 -0.33 0.00 -0.03 0.00 0.00 56.01 53.40 1oaf n LEU 184 Cb 0.13 -0.41 -0.15 0.00 -2.33 0.00 0.00 43.42 40.65 1oaf n LEU 184 CO 0.12 0.77 -0.48 -0.63 -1.33 0.00 0.00 177.39 175.83 1oaf s ILE 185 N -1.56 2.54 -0.48 -0.08 -1.09 -0.61 -4.62 121.20 115.28 1oaf s ILE 185 Ca 0.37 -0.80 -0.23 0.00 -2.23 0.00 0.00 60.65 57.77 1oaf s ILE 185 Cb 0.23 -2.08 0.03 0.00 -1.58 0.00 0.00 42.46 39.06 1oaf s ILE 185 CO 0.19 0.51 0.79 0.12 -1.23 0.00 0.00 174.94 175.32 1oaf s PHE 186 N 1.09 2.96 0.01 3.97 2.19 0.06 -4.53 117.98 123.73 1oaf s PHE 186 Ca -0.00 0.00 -0.00 0.00 0.33 0.00 0.00 56.93 57.26 1oaf s PHE 186 Cb -0.14 -3.72 0.00 0.00 -1.31 0.00 0.00 43.02 37.85 1oaf s PHE 186 CO -0.05 -1.07 0.01 -0.40 1.83 0.00 0.00 175.22 175.53 1oaf n ASP 187 N 6.79 -0.02 -0.47 6.13 5.68 -1.26 -4.18 116.55 129.21 1oaf n ASP 187 Ca 0.01 -1.03 0.03 0.00 -0.50 0.00 0.00 54.79 53.29 1oaf n ASP 187 Cb 0.48 0.04 0.08 0.00 -1.14 0.00 0.00 41.12 40.58 1oaf n ASP 187 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1oaf n ASN 188 N -1.87 1.29 0.24 -1.12 6.94 -1.26 -4.38 115.26 115.11 1oaf n ASN 188 Ca -0.00 -2.06 0.07 0.00 -0.02 0.00 0.00 54.58 52.57 1oaf n ASN 188 Cb 0.01 -0.24 0.58 0.00 -2.36 0.00 0.00 39.78 37.77 1oaf n ASN 188 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1oaf h SER 189 N 1.03 0.00 -0.77 0.53 0.02 -1.94 -1.77 113.55 110.66 1oaf h SER 189 Ca 0.00 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.10 1oaf h SER 189 Cb 0.41 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.85 1oaf h SER 189 CO 0.03 0.10 0.29 0.22 -1.14 0.00 0.00 176.83 176.34 1oaf h TYR 190 N 0.00 0.49 -0.07 3.45 3.20 -1.89 -0.34 116.97 121.81 1oaf h TYR 190 Ca -0.00 0.04 -0.24 0.00 3.14 0.00 0.00 58.73 61.67 1oaf h TYR 190 Cb 0.19 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.37 1oaf h TYR 190 CO 0.00 0.03 -0.90 0.74 -1.64 0.00 0.00 178.16 176.39 1oaf h PHE 191 N 0.41 0.95 -0.50 -3.82 0.04 -1.68 -1.70 116.94 110.65 1oaf h PHE 191 Ca 0.43 -0.47 0.02 0.00 2.80 0.00 0.00 57.97 60.75 1oaf h PHE 191 Cb 0.68 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 1oaf h PHE 191 CO -0.18 1.30 0.29 1.15 -0.60 0.00 0.00 178.31 180.27 1oaf h THR 192 N 0.42 1.04 -0.55 -1.55 2.02 -1.39 -1.99 112.91 110.91 1oaf h THR 192 Ca -0.09 -0.20 -0.12 0.00 0.77 0.00 0.00 66.41 66.78 1oaf h THR 192 Cb 1.54 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1oaf h THR 192 CO 0.18 0.11 -0.11 -0.33 0.37 0.00 0.00 175.52 175.74 1oaf h GLU 193 N 0.58 1.05 -0.57 6.66 4.39 -1.02 -2.35 114.58 123.32 1oaf h GLU 193 Ca 0.20 -0.39 0.02 0.00 0.34 0.00 0.00 59.36 59.54 1oaf h GLU 193 Cb 0.03 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 1oaf h GLU 193 CO -0.10 1.08 0.36 1.25 -1.16 0.00 0.00 179.01 180.44 1oaf h LEU 194 N 0.93 0.59 -0.70 1.33 5.85 -1.02 -2.95 115.31 119.34 1oaf h LEU 194 Ca 0.14 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.72 1oaf h LEU 194 Cb 0.68 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1oaf h LEU 194 CO 0.05 0.41 -0.61 -0.07 -0.34 0.00 0.00 178.44 177.89 1oaf h LEU 195 N 0.71 0.17 0.00 2.25 3.38 -1.21 -3.24 115.31 117.37 1oaf h LEU 195 Ca 0.23 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1oaf h LEU 195 Cb -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1oaf h LEU 195 CO -0.09 0.74 -0.06 -1.54 0.09 0.00 0.00 178.44 177.58 1oaf n SER 196 N -3.85 0.27 0.00 -0.43 3.41 -0.90 -5.03 113.62 107.09 1oaf n SER 196 Ca -0.02 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1oaf n SER 196 Cb 0.61 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1oaf n SER 196 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oaf n GLY 197 N 1.45 -3.05 3.64 5.00 0.00 -1.19 -4.94 105.19 106.10 1oaf n GLY 197 Ca 0.06 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 1oaf n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oaf s GLU 198 N -0.53 4.09 -0.11 1.61 0.41 -1.26 -4.73 118.70 118.18 1oaf s GLU 198 Ca 0.00 1.19 -0.08 0.00 -0.41 0.00 0.00 54.97 55.67 1oaf s GLU 198 Cb 0.00 -3.75 -0.04 0.00 -1.78 0.00 0.00 34.13 28.56 1oaf s GLU 198 CO 0.00 -0.88 0.18 0.21 -0.49 0.00 0.00 175.26 174.28 1oaf s LYS 199 N 3.65 3.58 0.34 1.61 2.20 -1.26 -5.06 119.74 124.79 1oaf s LYS 199 Ca 0.48 -0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 55.75 1oaf s LYS 199 Cb -0.14 -3.22 -0.11 0.00 -1.51 0.00 0.00 37.83 32.86 1oaf s LYS 199 CO 0.15 0.72 1.39 -2.00 -0.36 0.00 0.00 175.35 175.25 1oaf s GLU 200 N -0.90 4.25 0.00 4.03 2.56 -1.26 -2.18 118.70 125.21 1oaf s GLU 200 Ca 0.16 2.37 0.00 0.00 0.00 0.00 0.00 54.97 57.49 1oaf s GLU 200 Cb -0.13 -3.04 0.00 0.00 2.00 0.00 0.00 34.13 32.97 1oaf s GLU 200 CO 0.05 -0.35 0.00 0.41 -0.56 0.00 0.00 175.26 174.81 1oaf n GLY 201 N 0.86 1.48 3.61 -1.50 0.00 -1.26 -5.05 105.19 103.34 1oaf n GLY 201 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1oaf n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oaf s LEU 202 N 0.00 3.20 -0.06 0.99 1.43 -0.92 -4.47 118.68 118.84 1oaf s LEU 202 Ca 0.00 -0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 1oaf s LEU 202 Cb 0.00 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1oaf s LEU 202 CO 0.00 0.20 0.21 -0.22 0.23 0.00 0.00 176.35 176.77 1oaf s LEU 203 N -2.05 4.39 -0.05 1.79 2.96 -0.19 -4.71 118.68 120.81 1oaf s LEU 203 Ca 0.22 0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 54.64 1oaf s LEU 203 Cb -0.11 -2.37 0.03 0.00 0.50 0.00 0.00 46.19 44.23 1oaf s LEU 203 CO 0.14 0.34 -0.01 -1.10 -1.32 0.00 0.00 176.35 174.39 1oaf s GLN 204 N -1.38 0.57 0.52 1.98 -0.21 -1.26 -4.45 119.66 115.43 1oaf s GLN 204 Ca 0.21 0.05 -0.10 0.00 0.02 0.00 0.00 55.36 55.54 1oaf s GLN 204 Cb -0.13 -0.80 -0.05 0.00 1.00 0.00 0.00 33.01 33.03 1oaf s GLN 204 CO 0.11 -0.20 0.90 -0.51 -2.12 0.00 0.00 175.29 173.47 1oaf s LEU 205 N 1.46 3.53 0.39 2.90 1.43 -1.26 -4.94 118.68 122.19 1oaf s LEU 205 Ca -0.03 1.26 0.12 0.00 -1.03 0.00 0.00 54.13 54.44 1oaf s LEU 205 Cb -0.13 -4.23 0.91 0.00 0.03 0.00 0.00 46.19 42.78 1oaf s LEU 205 CO -0.03 -0.64 1.90 -0.65 0.23 0.00 0.00 176.35 177.16 1oaf h PRO 206 N 0.38 0.56 -0.09 1.29 0.11 -1.87 -1.24 132.00 131.13 1oaf h PRO 206 Ca -0.46 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1oaf h PRO 206 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1oaf h PRO 206 CO 0.62 0.37 -0.34 0.66 -0.21 0.00 0.00 178.00 179.10 1oaf h SER 207 N 0.58 0.17 -0.31 -2.05 4.64 -1.35 -1.22 113.55 114.01 1oaf h SER 207 Ca 0.40 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.61 1oaf h SER 207 Cb 0.73 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1oaf h SER 207 CO -0.16 0.51 -0.01 0.44 -0.87 0.00 0.00 176.83 176.75 1oaf h ASP 208 N 0.15 0.55 0.40 4.97 3.32 -1.57 -3.21 116.42 121.02 1oaf h ASP 208 Ca 0.02 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 1oaf h ASP 208 Cb 0.68 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1oaf h ASP 208 CO 0.05 0.73 -0.21 0.11 -1.72 0.00 0.00 179.24 178.20 1oaf h LYS 209 N 0.35 0.00 0.00 3.56 1.57 -0.88 -2.22 116.57 118.95 1oaf h LYS 209 Ca 0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1oaf h LYS 209 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1oaf h LYS 209 CO 0.02 0.21 -0.02 0.00 -0.57 0.00 0.00 179.45 179.09 1oaf h ALA 210 N 1.79 1.76 -0.01 3.86 0.00 -1.23 -1.62 119.26 123.80 1oaf h ALA 210 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1oaf h ALA 210 Cb 0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1oaf h ALA 210 CO 0.03 0.03 -0.24 -0.07 0.00 0.00 0.00 179.25 178.99 1oaf h LEU 211 N 0.00 0.02 -0.42 0.00 3.38 -1.52 -2.92 115.31 113.85 1oaf h LEU 211 Ca -0.00 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1oaf h LEU 211 Cb 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1oaf h LEU 211 CO 0.00 0.26 -0.64 -0.07 0.09 0.00 0.00 178.44 178.09 1oaf h LEU 212 N 0.02 0.00 -0.69 1.67 3.38 -1.44 -2.67 115.31 115.58 1oaf h LEU 212 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1oaf h LEU 212 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1oaf h LEU 212 CO 0.03 0.64 -0.51 -1.54 0.09 0.00 0.00 178.44 177.15 1oaf n SER 213 N -3.48 1.55 -4.73 -0.43 3.41 -1.19 -4.68 113.62 104.07 1oaf n SER 213 Ca 0.00 -1.28 -0.40 0.00 -0.26 0.00 0.00 58.87 56.93 1oaf n SER 213 Cb 0.71 0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 65.22 1oaf n SER 213 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1oaf s ASP 214 N -2.29 7.25 0.46 4.04 -1.08 -1.11 -4.98 116.67 118.96 1oaf s ASP 214 Ca 0.13 1.49 0.13 0.00 -0.52 0.00 0.00 52.55 53.79 1oaf s ASP 214 Cb 0.15 -2.49 1.06 0.00 -1.46 0.00 0.00 42.92 40.18 1oaf s ASP 214 CO 0.54 -0.05 2.05 -0.65 0.52 0.00 0.00 175.17 177.58 1oaf h PRO 215 N 5.96 0.31 0.16 4.34 0.11 -1.91 -1.26 132.00 139.71 1oaf h PRO 215 Ca -0.43 -0.02 -0.35 0.00 0.11 0.00 0.00 66.00 65.31 1oaf h PRO 215 Cb 1.21 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1oaf h PRO 215 CO 0.72 0.21 -1.80 0.28 -0.21 0.00 0.00 178.00 177.20 1oaf h VAL 216 N 0.32 0.86 -0.18 3.15 2.07 -1.94 -3.39 116.25 117.14 1oaf h VAL 216 Ca 0.17 -2.50 -0.19 0.00 0.82 0.00 0.00 66.70 65.00 1oaf h VAL 216 Cb 0.27 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1oaf h VAL 216 CO -0.04 0.86 -0.65 -0.26 0.02 0.00 0.00 177.57 177.50 1oaf h PHE 217 N 0.09 0.87 -0.42 1.57 0.04 -1.77 -3.34 116.94 113.99 1oaf h PHE 217 Ca -0.36 -0.34 0.01 0.00 2.80 0.00 0.00 57.97 60.08 1oaf h PHE 217 Cb 2.07 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 40.05 1oaf h PHE 217 CO 0.09 1.13 0.26 -0.09 -0.60 0.00 0.00 178.31 179.10 1oaf h ARG 218 N 0.49 0.51 -0.61 1.51 9.65 -0.86 -1.62 114.38 123.45 1oaf h ARG 218 Ca -0.01 -0.03 0.13 0.00 -1.10 0.00 0.00 59.98 58.96 1oaf h ARG 218 Cb 1.24 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.67 1oaf h ARG 218 CO 0.13 0.34 0.42 -1.35 2.80 0.00 0.00 179.97 182.30 1oaf h PRO 219 N 0.52 0.26 -0.24 0.20 0.11 -1.76 -0.88 132.00 130.21 1oaf h PRO 219 Ca 0.16 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.15 1oaf h PRO 219 Cb -0.02 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 1oaf h PRO 219 CO -0.06 0.17 -0.28 -0.07 -0.21 0.00 0.00 178.00 177.55 1oaf h LEU 220 N 0.27 0.66 -0.52 2.35 3.38 -1.46 -1.18 115.31 118.82 1oaf h LEU 220 Ca 0.29 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.83 1oaf h LEU 220 Cb 0.77 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1oaf h LEU 220 CO -0.06 1.02 0.22 0.58 0.09 0.00 0.00 178.44 180.29 1oaf h VAL 221 N 0.32 0.89 -0.47 1.22 2.07 -0.61 -0.80 116.25 118.87 1oaf h VAL 221 Ca 0.03 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1oaf h VAL 221 Cb 0.85 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1oaf h VAL 221 CO 0.07 0.08 0.29 0.44 0.02 0.00 0.00 177.57 178.47 1oaf h ASP 222 N 0.43 0.55 -0.42 0.57 3.32 -1.11 -1.38 116.42 118.39 1oaf h ASP 222 Ca 0.24 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1oaf h ASP 222 Cb 0.21 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1oaf h ASP 222 CO -0.21 0.44 0.24 0.50 -1.72 0.00 0.00 179.24 178.49 1oaf h LYS 223 N 0.62 0.58 -0.05 3.56 3.64 -0.77 -2.20 116.57 121.95 1oaf h LYS 223 Ca 0.17 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 1oaf h LYS 223 Cb -0.02 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1oaf h LYS 223 CO -0.03 0.44 -0.52 1.88 -2.27 0.00 0.00 179.45 178.95 1oaf h TYR 224 N 0.55 0.18 -0.20 1.91 0.05 -0.96 0.10 116.97 118.59 1oaf h TYR 224 Ca 0.15 -0.06 -0.10 0.00 0.05 0.00 0.00 58.73 58.76 1oaf h TYR 224 Cb 0.03 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 1oaf h TYR 224 CO -0.03 0.64 -0.33 0.00 -1.05 0.00 0.00 178.16 177.40 1oaf h ALA 225 N 1.35 1.07 0.00 3.88 0.00 -1.15 -3.14 119.26 121.27 1oaf h ALA 225 Ca 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1oaf h ALA 225 Cb 0.97 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1oaf h ALA 225 CO 0.08 0.58 -0.78 0.00 0.00 0.00 0.00 179.25 179.12 1oaf h ALA 226 N 1.30 0.68 -2.32 0.00 0.00 -0.89 -3.45 119.26 114.59 1oaf h ALA 226 Ca 0.04 -0.44 -0.46 0.00 0.00 0.00 0.00 54.91 54.05 1oaf h ALA 226 Cb 0.75 0.05 -0.35 0.00 0.00 0.00 0.00 17.79 18.23 1oaf h ALA 226 CO 0.06 0.53 -0.75 0.34 0.00 0.00 0.00 179.25 179.43 1oaf s ASP 227 N -6.05 2.22 0.36 0.00 3.68 -0.02 -4.99 116.67 111.87 1oaf s ASP 227 Ca 0.02 -1.65 0.08 0.00 2.13 0.00 0.00 52.55 53.13 1oaf s ASP 227 Cb 0.08 0.08 0.70 0.00 -1.45 0.00 0.00 42.92 42.32 1oaf s ASP 227 CO 0.76 -0.32 1.87 -0.08 0.13 0.00 0.00 175.17 177.54 1oaf h GLU 228 N 7.40 0.30 -0.81 4.34 4.81 -1.84 -2.24 114.58 126.54 1oaf h GLU 228 Ca -0.01 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1oaf h GLU 228 Cb 1.02 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 1oaf h GLU 228 CO 0.27 0.45 0.37 -0.44 -0.73 0.00 0.00 179.01 178.93 1oaf h ASP 229 N 0.28 1.08 -0.63 1.04 3.32 -1.94 0.62 116.42 120.19 1oaf h ASP 229 Ca 0.05 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 1oaf h ASP 229 Cb 0.43 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1oaf h ASP 229 CO 0.03 0.92 0.17 0.00 -1.72 0.00 0.00 179.24 178.64 1oaf h ALA 230 N 1.24 0.82 -0.20 3.45 0.00 -1.80 -1.30 119.26 121.47 1oaf h ALA 230 Ca 0.28 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1oaf h ALA 230 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1oaf h ALA 230 CO -0.03 0.52 0.12 0.35 0.00 0.00 0.00 179.25 180.21 1oaf h PHE 231 N 0.91 0.26 -0.85 0.00 3.57 -0.91 -1.82 116.94 118.10 1oaf h PHE 231 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1oaf h PHE 231 Cb 0.33 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 1oaf h PHE 231 CO 0.02 0.21 0.50 0.74 -2.23 0.00 0.00 178.31 177.56 1oaf h PHE 232 N 0.24 1.13 -0.22 0.41 -1.00 -0.68 0.19 116.94 117.02 1oaf h PHE 232 Ca 0.07 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.83 1oaf h PHE 232 Cb 0.02 -0.37 -0.01 0.00 3.61 0.00 0.00 35.95 39.20 1oaf h PHE 232 CO -0.05 0.76 0.06 0.00 -1.61 0.00 0.00 178.31 177.47 1oaf h ALA 233 N 1.27 0.28 -0.17 2.45 0.00 -1.10 -1.32 119.26 120.68 1oaf h ALA 233 Ca 0.30 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1oaf h ALA 233 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1oaf h ALA 233 CO -0.06 -0.08 -0.54 -0.44 0.00 0.00 0.00 179.25 178.13 1oaf h ASP 234 N 0.17 0.56 -0.20 0.00 5.19 -1.05 -2.41 116.42 118.69 1oaf h ASP 234 Ca 0.07 -0.30 -0.01 0.00 -0.62 0.00 0.00 57.03 56.17 1oaf h ASP 234 Cb 0.26 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 1oaf h ASP 234 CO -0.00 1.00 0.10 0.22 -3.12 0.00 0.00 179.24 177.44 1oaf h TYR 235 N 0.39 0.29 -0.70 4.55 5.03 -0.57 -1.33 116.97 124.63 1oaf h TYR 235 Ca 0.01 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.32 1oaf h TYR 235 Cb 1.08 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 39.23 1oaf h TYR 235 CO 0.04 0.29 0.46 0.00 -1.32 0.00 0.00 178.16 177.62 1oaf h ALA 236 N 0.97 0.89 -0.21 1.82 0.00 -1.13 0.92 119.26 122.52 1oaf h ALA 236 Ca 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1oaf h ALA 236 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1oaf h ALA 236 CO -0.01 0.29 0.12 1.49 0.00 0.00 0.00 179.25 181.13 1oaf h GLU 237 N 0.93 0.24 -0.40 0.00 4.81 -1.30 -2.06 114.58 116.79 1oaf h GLU 237 Ca 0.26 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.36 1oaf h GLU 237 Cb -0.08 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1oaf h GLU 237 CO -0.07 0.16 -0.21 0.00 -0.73 0.00 0.00 179.01 178.16 1oaf h ALA 238 N 1.10 0.56 -0.46 2.92 0.00 -0.74 -2.03 119.26 120.62 1oaf h ALA 238 Ca 0.08 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1oaf h ALA 238 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1oaf h ALA 238 CO -0.05 0.53 0.14 1.25 0.00 0.00 0.00 179.25 181.13 1oaf h HIS 239 N 0.66 0.75 -0.39 0.00 -0.00 -0.85 0.16 115.15 115.47 1oaf h HIS 239 Ca 0.09 -0.08 0.03 0.00 -0.00 0.00 0.00 60.37 60.41 1oaf h HIS 239 Cb 0.77 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.93 1oaf h HIS 239 CO 0.06 0.67 0.19 0.37 -0.00 0.00 0.00 177.93 179.22 1oaf h GLN 240 N 0.61 0.38 -0.40 5.26 4.15 -1.28 -0.28 115.11 123.56 1oaf h GLN 240 Ca 0.15 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1oaf h GLN 240 Cb 0.27 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 1oaf h GLN 240 CO -0.00 0.25 0.25 0.87 -1.93 0.00 0.00 178.83 178.27 1oaf h LYS 241 N 0.39 0.54 -0.32 1.69 1.57 -1.03 -2.42 116.57 117.00 1oaf h LYS 241 Ca 0.17 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1oaf h LYS 241 Cb 0.08 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1oaf h LYS 241 CO -0.12 0.38 0.06 1.25 -0.57 0.00 0.00 179.45 180.45 1oaf h LEU 242 N 0.53 0.00 -0.44 2.94 5.85 -0.66 -2.23 115.31 121.31 1oaf h LEU 242 Ca 0.15 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1oaf h LEU 242 Cb -0.02 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1oaf h LEU 242 CO -0.03 0.04 0.00 -1.54 -0.34 0.00 0.00 178.44 176.57 1oaf n SER 243 N -5.09 0.35 -0.37 1.25 3.41 -0.14 -2.56 113.62 110.47 1oaf n SER 243 Ca 0.00 0.60 0.05 0.00 -0.26 0.00 0.00 58.87 59.26 1oaf n SER 243 Cb 0.14 -0.67 0.11 0.00 -0.26 0.00 0.00 64.21 63.54 1oaf n SER 243 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1oaf n GLU 244 N -1.90 2.70 -1.70 4.33 1.02 -0.88 -4.84 120.64 119.37 1oaf n GLU 244 Ca 0.02 -2.05 -0.42 0.00 -0.02 0.00 0.00 57.16 54.69 1oaf n GLU 244 Cb 0.17 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1oaf n GLU 244 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1oaf n LEU 245 N -0.29 4.01 0.00 -4.62 4.77 -0.96 -1.23 117.00 118.68 1oaf n LEU 245 Ca 0.10 1.03 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 1oaf n LEU 245 Cb 0.46 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 1oaf n LEU 245 CO 0.05 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1oaf n GLY 246 N 4.08 0.93 3.40 -0.72 0.00 -1.26 -4.33 105.19 107.30 1oaf n GLY 246 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1oaf n GLY 246 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1oaf s PHE 247 N -3.68 2.76 -0.47 1.61 5.36 -0.37 -4.68 117.98 118.52 1oaf s PHE 247 Ca 0.00 -0.49 -0.01 0.00 -0.96 0.00 0.00 56.93 55.48 1oaf s PHE 247 Cb 0.00 -1.76 -0.01 0.00 -0.34 0.00 0.00 43.02 40.91 1oaf s PHE 247 CO 0.00 -0.08 0.40 0.00 -1.46 0.00 0.00 175.22 174.08 1oaf n ALA 248 N 3.10 -0.99 -1.85 11.12 0.00 -1.26 -4.45 120.51 126.18 1oaf n ALA 248 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1oaf n ALA 248 Cb 0.53 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1oaf n ALA 248 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1oaf n ASP 249 N -1.98 0.00 0.00 0.00 5.75 -1.26 -1.36 116.55 117.70 1oaf n ASP 249 Ca -0.09 0.93 0.00 0.00 -0.01 0.00 0.00 54.79 55.63 1oaf n ASP 249 Cb 0.56 -1.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.25 1oaf n ASP 249 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09