#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wo8 s LYS 2 N 0.00 2.28 0.46 0.03 1.02 -1.26 -4.72 119.74 117.55 1wo8 s LYS 2 Ca 0.00 1.45 -0.04 0.00 0.02 0.00 0.00 55.97 57.39 1wo8 s LYS 2 Cb 0.00 -1.88 -0.04 0.00 -0.52 0.00 0.00 37.83 35.39 1wo8 s LYS 2 CO 0.00 -1.66 0.75 0.00 -0.92 0.00 0.00 175.35 173.51 1wo8 s ALA 3 N -2.43 3.45 -0.20 5.17 0.00 -0.57 -4.33 121.76 122.85 1wo8 s ALA 3 Ca 0.67 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 52.01 1wo8 s ALA 3 Cb -0.22 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 1wo8 s ALA 3 CO 0.48 -0.29 0.01 -0.51 0.00 0.00 0.00 175.76 175.45 1wo8 s LEU 4 N -4.66 3.35 -0.13 0.00 1.43 -0.44 -0.36 118.68 117.87 1wo8 s LEU 4 Ca 0.46 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 53.26 1wo8 s LEU 4 Cb -0.10 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 1wo8 s LEU 4 CO 0.43 0.07 0.30 0.00 0.23 0.00 0.00 176.35 177.39 1wo8 s ALA 5 N 0.97 3.63 -0.15 4.21 0.00 -0.47 -0.94 121.76 129.00 1wo8 s ALA 5 Ca 0.02 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.56 1wo8 s ALA 5 Cb -0.14 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.63 1wo8 s ALA 5 CO 0.02 0.19 -0.17 -0.51 0.00 0.00 0.00 175.76 175.29 1wo8 s LEU 6 N 0.12 1.85 -0.01 0.00 1.43 0.15 -0.94 118.68 121.29 1wo8 s LEU 6 Ca 0.18 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1wo8 s LEU 6 Cb -0.13 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.83 1wo8 s LEU 6 CO 0.05 -0.01 -0.01 -0.63 0.23 0.00 0.00 176.35 175.99 1wo8 s ILE 7 N 1.23 0.14 -0.06 -0.59 1.01 -0.08 -3.43 121.20 119.43 1wo8 s ILE 7 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.61 1wo8 s ILE 7 Cb -0.14 -0.16 0.04 0.00 0.01 0.00 0.00 42.46 42.21 1wo8 s ILE 7 CO -0.08 0.07 0.13 0.00 0.00 0.00 0.00 174.94 175.05 1wo8 s ALA 8 N 0.27 -0.21 0.70 9.38 0.00 -1.26 -0.99 121.76 129.64 1wo8 s ALA 8 Ca -0.02 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.40 1wo8 s ALA 8 Cb -0.04 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.69 1wo8 s ALA 8 CO -0.01 -0.14 1.11 -1.01 0.00 0.00 0.00 175.76 175.71 1wo8 s HIS 9 N 1.07 2.60 0.24 0.00 3.76 -0.61 -4.69 115.29 117.66 1wo8 s HIS 9 Ca -0.08 1.55 -0.14 0.00 -0.15 0.00 0.00 55.06 56.24 1wo8 s HIS 9 Cb -0.11 -3.14 0.30 0.00 1.11 0.00 0.00 32.58 30.74 1wo8 s HIS 9 CO -0.05 -1.74 1.58 -0.44 -0.85 0.00 0.00 174.74 173.24 1wo8 h ASP 10 N -0.34 -1.01 0.14 1.40 3.32 -2.00 0.19 116.42 118.13 1wo8 h ASP 10 Ca -0.46 0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1wo8 h ASP 10 Cb 1.24 0.59 0.00 0.00 0.22 0.00 0.00 39.33 41.38 1wo8 h ASP 10 CO 0.53 -0.29 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 1wo8 h ALA 11 N 1.60 1.00 -0.15 3.45 0.00 -1.95 -2.12 119.26 121.09 1wo8 h ALA 11 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1wo8 h ALA 11 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1wo8 h ALA 11 CO -0.87 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.01 1wo8 n LYS 12 N -2.45 1.53 -0.25 0.00 4.76 0.62 -4.67 118.16 117.69 1wo8 n LYS 12 Ca -0.01 -1.49 -0.07 0.00 -2.87 0.00 0.00 58.31 53.87 1wo8 n LYS 12 Cb 0.08 -1.20 0.05 0.00 -1.84 0.00 0.00 35.03 32.11 1wo8 n LYS 12 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1wo8 h LYS 13 N 1.80 1.03 -0.78 1.97 1.57 -0.79 -0.23 116.57 121.13 1wo8 h LYS 13 Ca 0.00 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1wo8 h LYS 13 Cb 0.54 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 1wo8 h LYS 13 CO 0.00 0.85 0.46 -0.44 -0.57 0.00 0.00 179.45 179.75 1wo8 h ASP 14 N 0.98 0.95 -0.80 0.86 3.32 -1.83 -0.60 116.42 119.31 1wo8 h ASP 14 Ca 0.23 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1wo8 h ASP 14 Cb 0.20 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1wo8 h ASP 14 CO -0.02 0.75 0.44 -0.08 -1.72 0.00 0.00 179.24 178.61 1wo8 h GLU 15 N 1.07 1.11 -0.33 3.56 4.81 -1.75 -1.54 114.58 121.51 1wo8 h GLU 15 Ca 0.28 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1wo8 h GLU 15 Cb -0.01 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 1wo8 h GLU 15 CO -0.05 0.82 0.09 1.98 -0.73 0.00 0.00 179.01 181.11 1wo8 h MET 16 N 1.10 0.53 -0.33 1.92 4.05 -0.40 -1.11 114.93 120.69 1wo8 h MET 16 Ca 0.28 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.58 1wo8 h MET 16 Cb 0.03 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 1wo8 h MET 16 CO -0.05 0.58 0.21 0.28 0.23 0.00 0.00 176.91 178.16 1wo8 h VAL 17 N 0.38 1.10 -0.78 -5.77 2.07 -0.86 -0.67 116.25 111.72 1wo8 h VAL 17 Ca 0.10 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1wo8 h VAL 17 Cb 0.29 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1wo8 h VAL 17 CO 0.00 0.10 0.48 0.00 0.02 0.00 0.00 177.57 178.17 1wo8 h ALA 18 N 1.10 1.38 -0.32 1.67 0.00 -1.18 -1.21 119.26 120.69 1wo8 h ALA 18 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wo8 h ALA 18 Cb -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1wo8 h ALA 18 CO -0.02 0.54 0.15 0.35 0.00 0.00 0.00 179.25 180.27 1wo8 h PHE 19 N 1.07 0.47 -0.04 0.00 3.57 -0.58 -1.92 116.94 119.51 1wo8 h PHE 19 Ca 0.28 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.67 1wo8 h PHE 19 Cb -0.06 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 1wo8 h PHE 19 CO 0.00 0.42 -0.39 0.00 -2.23 0.00 0.00 178.31 176.11 1wo8 h LEU 21 N 0.07 0.90 -0.98 0.00 3.38 -0.98 -1.44 115.31 116.26 1wo8 h LEU 21 Ca 0.01 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.51 1wo8 h LEU 21 Cb 0.72 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1wo8 h LEU 21 CO 0.05 1.08 -0.18 0.03 0.09 0.00 0.00 178.44 179.51 1wo8 h ARG 22 N 0.72 0.53 -0.43 1.13 3.08 -1.00 -3.20 114.38 115.22 1wo8 h ARG 22 Ca 0.11 -0.18 -0.22 0.00 0.07 0.00 0.00 59.98 59.76 1wo8 h ARG 22 Cb 0.70 -0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.58 1wo8 h ARG 22 CO 0.05 0.69 -0.01 0.72 -1.07 0.00 0.00 179.97 180.36 1wo8 n HIS 23 N -4.16 1.31 -0.30 3.04 8.25 -0.83 -4.77 115.22 117.76 1wo8 n HIS 23 Ca 0.00 -1.65 0.13 0.00 -0.26 0.00 0.00 57.72 55.94 1wo8 n HIS 23 Cb 0.37 -0.55 0.36 0.00 1.12 0.00 0.00 29.99 31.29 1wo8 n HIS 23 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1wo8 h LYS 24 N 1.00 0.69 -0.10 -0.41 3.64 -1.25 -1.99 116.57 118.15 1wo8 h LYS 24 Ca 0.27 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.45 1wo8 h LYS 24 Cb 1.80 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.45 1wo8 h LYS 24 CO 0.47 0.46 -0.61 -0.44 -2.27 0.00 0.00 179.45 177.06 1wo8 h ASP 25 N 0.71 0.39 -0.11 4.20 3.32 -1.88 -1.03 116.42 122.03 1wo8 h ASP 25 Ca 0.49 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 1wo8 h ASP 25 Cb 0.80 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1wo8 h ASP 25 CO -0.25 0.90 -0.21 0.58 -1.72 0.00 0.00 179.24 178.54 1wo8 h VAL 26 N 0.25 1.39 -0.51 -1.35 2.07 -1.82 -3.25 116.25 113.04 1wo8 h VAL 26 Ca -0.01 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 1wo8 h VAL 26 Cb 1.13 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.98 1wo8 h VAL 26 CO 0.10 0.43 0.27 -0.07 0.02 0.00 0.00 177.57 178.33 1wo8 h LEU 27 N -0.10 0.63 -1.06 2.57 3.38 -1.34 -2.04 115.31 117.34 1wo8 h LEU 27 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1wo8 h LEU 27 Cb 0.80 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1wo8 h LEU 27 CO 0.05 0.51 0.00 0.00 0.09 0.00 0.00 178.44 179.09 1wo8 n ALA 28 N -2.46 1.24 1.23 1.53 0.00 -0.39 -1.78 120.51 119.87 1wo8 n ALA 28 Ca 0.04 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.76 1wo8 n ALA 28 Cb 0.10 -1.31 0.35 0.00 0.00 0.00 0.00 19.45 18.59 1wo8 n ALA 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wo8 n ARG 29 N -2.16 0.95 -4.28 0.00 1.74 -0.77 -4.92 116.66 107.21 1wo8 n ARG 29 Ca -0.00 -0.59 -0.19 0.00 -0.77 0.00 0.00 57.85 56.29 1wo8 n ARG 29 Cb 0.09 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 29.93 1wo8 n ARG 29 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1wo8 s TYR 30 N -2.46 1.57 0.20 -1.55 1.51 -0.74 -4.99 117.35 110.90 1wo8 s TYR 30 Ca 0.25 -0.52 -0.30 0.00 -1.01 0.00 0.00 57.07 55.48 1wo8 s TYR 30 Cb 0.19 -0.80 -0.09 0.00 -0.11 0.00 0.00 41.96 41.15 1wo8 s TYR 30 CO 0.51 0.22 1.28 -2.14 -1.11 0.00 0.00 175.55 174.31 1wo8 s PRO 31 N -2.75 4.41 -0.09 -1.71 0.02 -1.26 -4.89 135.00 128.73 1wo8 s PRO 31 Ca 0.12 2.01 -0.02 0.00 0.02 0.00 0.00 61.00 63.13 1wo8 s PRO 31 Cb -0.05 -3.20 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 1wo8 s PRO 31 CO 0.04 -0.21 0.00 -0.51 -0.33 0.00 0.00 177.00 176.00 1wo8 s LEU 32 N -0.16 3.59 -0.03 -5.54 1.43 -1.26 -1.33 118.68 115.38 1wo8 s LEU 32 Ca 0.56 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.83 1wo8 s LEU 32 Cb -0.36 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 1wo8 s LEU 32 CO 0.38 0.36 -0.13 -0.22 0.23 0.00 0.00 176.35 176.98 1wo8 s LEU 33 N -0.80 1.88 0.10 1.79 2.96 -0.12 -0.66 118.68 123.84 1wo8 s LEU 33 Ca 0.12 -0.25 -0.20 0.00 -0.22 0.00 0.00 54.13 53.58 1wo8 s LEU 33 Cb -0.11 -0.71 0.05 0.00 0.50 0.00 0.00 46.19 45.91 1wo8 s LEU 33 CO 0.02 0.12 0.48 0.00 -1.32 0.00 0.00 176.35 175.65 1wo8 s ALA 34 N 0.02 -1.21 0.70 5.97 0.00 -0.40 0.29 121.76 127.14 1wo8 s ALA 34 Ca -0.01 0.32 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 1wo8 s ALA 34 Cb -0.09 0.59 0.02 0.00 0.00 0.00 0.00 23.12 23.64 1wo8 s ALA 34 CO 0.01 -0.60 1.16 0.95 0.00 0.00 0.00 175.76 177.28 1wo8 s THR 35 N -3.18 2.73 0.05 0.00 -4.23 -1.22 -1.41 115.64 108.37 1wo8 s THR 35 Ca -0.01 0.35 -0.09 0.00 -1.18 0.00 0.00 61.69 60.76 1wo8 s THR 35 Cb 0.00 -2.89 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 1wo8 s THR 35 CO -0.08 -0.20 0.91 0.61 -0.54 0.00 0.00 174.62 175.33 1wo8 n GLY 36 N -0.01 -2.22 0.24 3.99 0.00 -0.26 -0.91 105.19 106.01 1wo8 n GLY 36 Ca 0.12 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.63 1wo8 n GLY 36 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1wo8 h THR 37 N 0.00 1.29 -0.68 2.61 2.02 -1.88 -2.05 112.91 114.21 1wo8 h THR 37 Ca 0.05 -1.47 0.02 0.00 0.77 0.00 0.00 66.41 65.78 1wo8 h THR 37 Cb 0.12 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1wo8 h THR 37 CO -0.27 0.48 0.43 0.74 0.37 0.00 0.00 175.52 177.27 1wo8 h THR 38 N 0.59 1.11 -0.70 3.16 2.02 -1.83 -0.85 112.91 116.40 1wo8 h THR 38 Ca 0.06 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1wo8 h THR 38 Cb 0.88 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1wo8 h THR 38 CO 0.08 0.16 0.33 1.23 0.37 0.00 0.00 175.52 177.69 1wo8 h GLY 39 N 0.86 1.09 0.96 2.16 0.00 -0.90 -1.52 103.07 105.72 1wo8 h GLY 39 Ca 0.27 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1wo8 h GLY 39 CO -0.09 0.52 0.18 0.00 0.00 0.00 0.00 176.54 177.15 1wo8 h ALA 40 N 1.16 0.61 -0.60 3.60 0.00 -0.89 -1.41 119.26 121.72 1wo8 h ALA 40 Ca 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1wo8 h ALA 40 Cb 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1wo8 h ALA 40 CO -0.03 0.22 0.28 0.00 0.00 0.00 0.00 179.25 179.72 1wo8 h ARG 41 N 0.61 0.87 -0.18 0.00 2.47 -0.96 -1.92 114.38 115.27 1wo8 h ARG 41 Ca 0.15 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.72 1wo8 h ARG 41 Cb 0.20 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1wo8 h ARG 41 CO -0.01 0.71 0.03 0.82 0.56 0.00 0.00 179.97 182.08 1wo8 h ILE 42 N 0.82 1.22 -0.58 2.04 2.04 -1.12 -2.89 117.51 119.04 1wo8 h ILE 42 Ca 0.20 -0.71 -0.10 0.00 1.00 0.00 0.00 64.86 65.26 1wo8 h ILE 42 Cb 0.13 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1wo8 h ILE 42 CO -0.02 0.22 -0.01 -0.61 0.00 0.00 0.00 178.15 177.72 1wo8 h GLN 43 N 0.09 1.03 -0.23 2.37 4.15 -1.14 -0.59 115.11 120.80 1wo8 h GLN 43 Ca 0.06 -0.34 -0.07 0.00 0.77 0.00 0.00 58.65 59.07 1wo8 h GLN 43 Cb 0.30 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1wo8 h GLN 43 CO 0.00 1.03 -0.14 1.05 -1.93 0.00 0.00 178.83 178.84 1wo8 h GLU 44 N 0.92 0.38 0.12 1.69 4.11 -1.37 0.62 114.58 121.05 1wo8 h GLU 44 Ca 0.16 -0.10 -0.33 0.00 0.07 0.00 0.00 59.36 59.16 1wo8 h GLU 44 Cb 0.57 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1wo8 h GLU 44 CO 0.03 0.52 -1.70 0.00 0.07 0.00 0.00 179.01 177.94 1wo8 h ALA 45 N 1.50 0.35 0.00 1.06 0.00 -1.33 -3.40 119.26 117.45 1wo8 h ALA 45 Ca 0.07 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1wo8 h ALA 45 Cb 0.47 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1wo8 h ALA 45 CO 0.03 1.22 -1.70 0.25 0.00 0.00 0.00 179.25 179.04 1wo8 n THR 46 N -3.43 0.00 -0.61 0.00 -2.24 -0.25 -4.97 114.28 102.79 1wo8 n THR 46 Ca -0.21 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1wo8 n THR 46 Cb 1.05 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1wo8 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wo8 n GLY 47 N 1.41 1.64 3.76 3.38 0.00 0.21 -4.99 105.19 110.59 1wo8 n GLY 47 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1wo8 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wo8 s LEU 48 N 0.00 4.43 -0.03 0.99 1.43 -1.26 -4.98 118.68 119.27 1wo8 s LEU 48 Ca 0.00 2.63 -0.30 0.00 -1.03 0.00 0.00 54.13 55.43 1wo8 s LEU 48 Cb 0.00 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 1wo8 s LEU 48 CO 0.00 -0.53 1.06 0.00 0.23 0.00 0.00 176.35 177.11 1wo8 s ALA 49 N -0.89 3.32 -0.07 4.21 0.00 -1.26 -4.25 121.76 122.83 1wo8 s ALA 49 Ca 0.51 0.55 -0.00 0.00 0.00 0.00 0.00 51.96 53.02 1wo8 s ALA 49 Cb -0.39 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.34 1wo8 s ALA 49 CO 0.50 -0.46 -0.03 0.08 0.00 0.00 0.00 175.76 175.85 1wo8 s VAL 50 N 1.50 0.56 -0.00 0.00 1.01 -1.26 -4.36 120.40 117.84 1wo8 s VAL 50 Ca 0.53 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 1wo8 s VAL 50 Cb -0.22 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1wo8 s VAL 50 CO 0.24 0.26 1.19 -0.70 0.00 0.00 0.00 175.10 176.10 1wo8 s GLU 51 N 1.46 4.40 -0.20 2.72 2.12 0.17 -4.92 118.70 124.45 1wo8 s GLU 51 Ca -0.02 1.70 -0.09 0.00 0.36 0.00 0.00 54.97 56.92 1wo8 s GLU 51 Cb -0.13 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 1wo8 s GLU 51 CO -0.03 -0.34 0.10 1.03 -0.54 0.00 0.00 175.26 175.47 1wo8 s ARG 52 N 1.66 4.00 0.00 4.30 0.52 -1.26 -1.27 118.95 126.91 1wo8 s ARG 52 Ca 0.57 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 1wo8 s ARG 52 Cb -0.26 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 31.88 1wo8 s ARG 52 CO 0.25 0.19 0.00 1.33 0.02 0.00 0.00 175.30 177.09 1wo8 n VAL 53 N 3.82 0.00 -1.20 3.52 0.24 -0.50 -4.89 118.33 119.32 1wo8 n VAL 53 Ca -0.16 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.85 1wo8 n VAL 53 Cb 0.52 -0.74 0.16 0.00 -1.47 0.00 0.00 33.84 32.31 1wo8 n VAL 53 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1wo8 s LEU 54 N 0.00 1.79 0.84 1.34 1.43 -1.26 -1.10 118.68 121.71 1wo8 s LEU 54 Ca 0.00 1.25 -0.11 0.00 -1.03 0.00 0.00 54.13 54.24 1wo8 s LEU 54 Cb 0.00 -3.50 0.10 0.00 0.03 0.00 0.00 46.19 42.82 1wo8 s LEU 54 CO 0.00 -2.98 1.09 -0.94 0.23 0.00 0.00 176.35 173.76 1wo8 s SER 55 N -3.49 3.91 0.13 2.29 1.04 -1.26 -2.05 113.70 114.27 1wo8 s SER 55 Ca 0.65 1.65 -0.23 0.00 0.48 0.00 0.00 55.95 58.49 1wo8 s SER 55 Cb -0.18 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 1wo8 s SER 55 CO 0.57 -2.39 1.66 1.23 0.98 0.00 0.00 173.24 175.30 1wo8 h GLY 56 N -1.37 -0.16 0.86 7.32 0.00 -1.93 0.12 103.07 107.90 1wo8 h GLY 56 Ca -0.47 0.20 0.14 0.00 0.00 0.00 0.00 47.33 47.20 1wo8 h GLY 56 CO 0.53 -0.16 0.44 -2.55 0.00 0.00 0.00 176.54 174.79 1wo8 h PRO 57 N -0.24 0.27 -0.01 4.80 0.11 -1.97 -1.63 132.00 133.33 1wo8 h PRO 57 Ca 0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1wo8 h PRO 57 Cb 0.35 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1wo8 h PRO 57 CO -0.22 0.18 -0.02 1.28 -0.21 0.00 0.00 178.00 179.01 1wo8 n LEU 58 N -4.44 1.34 0.00 2.35 4.77 -0.72 -4.92 117.00 115.38 1wo8 n LEU 58 Ca 0.12 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1wo8 n LEU 58 Cb 0.51 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1wo8 n LEU 58 CO 0.34 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1wo8 n GLY 59 N 1.17 1.02 0.38 -0.72 0.00 -0.61 -4.86 105.19 101.57 1wo8 n GLY 59 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1wo8 n GLY 59 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wo8 h GLY 60 N 0.00 1.01 1.64 -0.02 0.00 -0.86 -1.42 103.07 103.43 1wo8 h GLY 60 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1wo8 h GLY 60 CO 0.00 0.07 0.10 -0.55 0.00 0.00 0.00 176.54 176.16 1wo8 h ASP 61 N 0.58 0.42 0.12 0.19 3.32 -1.80 -1.32 116.42 117.93 1wo8 h ASP 61 Ca 0.43 -0.05 -0.19 0.00 0.02 0.00 0.00 57.03 57.23 1wo8 h ASP 61 Cb 0.81 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 1wo8 h ASP 61 CO -0.18 0.41 -0.73 -0.07 -1.72 0.00 0.00 179.24 176.96 1wo8 h LEU 62 N 0.46 0.63 -0.58 1.55 3.38 -1.58 -0.13 115.31 119.05 1wo8 h LEU 62 Ca 0.11 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1wo8 h LEU 62 Cb 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1wo8 h LEU 62 CO -0.01 1.16 0.20 1.56 0.09 0.00 0.00 178.44 181.45 1wo8 h GLN 63 N 0.37 0.88 -0.40 1.13 4.20 -1.14 0.78 115.11 120.92 1wo8 h GLN 63 Ca -0.03 -0.18 -0.15 0.00 0.06 0.00 0.00 58.65 58.35 1wo8 h GLN 63 Cb 1.32 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 1wo8 h GLN 63 CO 0.13 0.78 -0.34 0.82 -0.67 0.00 0.00 178.83 179.55 1wo8 h ILE 64 N 0.81 1.27 -0.50 2.54 2.04 -1.20 -2.81 117.51 119.65 1wo8 h ILE 64 Ca 0.19 -1.52 -0.03 0.00 1.00 0.00 0.00 64.86 64.51 1wo8 h ILE 64 Cb 0.25 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1wo8 h ILE 64 CO -0.01 0.51 0.20 1.23 0.00 0.00 0.00 178.15 180.08 1wo8 h GLY 65 N 0.82 0.77 1.00 5.37 0.00 -0.64 -0.48 103.07 109.92 1wo8 h GLY 65 Ca 0.07 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1wo8 h GLY 65 CO 0.09 0.36 0.17 0.00 0.00 0.00 0.00 176.54 177.16 1wo8 h ALA 66 N 1.50 0.76 -0.13 3.60 0.00 -0.70 -1.00 119.26 123.30 1wo8 h ALA 66 Ca 0.17 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1wo8 h ALA 66 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1wo8 h ALA 66 CO -0.02 0.44 -0.36 0.00 0.00 0.00 0.00 179.25 179.31 1wo8 h ARG 67 N 0.82 0.28 -0.33 0.00 3.08 -1.14 -2.01 114.38 115.08 1wo8 h ARG 67 Ca 0.19 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1wo8 h ARG 67 Cb 0.30 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1wo8 h ARG 67 CO -0.00 0.61 0.10 0.28 -1.07 0.00 0.00 179.97 179.88 1wo8 h VAL 68 N 0.24 1.21 0.00 2.04 2.07 -0.68 -1.30 116.25 119.83 1wo8 h VAL 68 Ca 0.03 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1wo8 h VAL 68 Cb 0.75 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1wo8 h VAL 68 CO 0.06 0.23 -0.13 0.00 0.02 0.00 0.00 177.57 177.75 1wo8 h ALA 69 N 0.94 1.31 -0.35 1.67 0.00 -0.87 -2.04 119.26 119.91 1wo8 h ALA 69 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wo8 h ALA 69 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1wo8 h ALA 69 CO -0.00 0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.80 1wo8 n GLU 70 N -3.69 1.92 -1.38 0.00 1.02 -0.79 -4.93 120.64 112.79 1wo8 n GLU 70 Ca -0.02 -1.42 -0.10 0.00 -0.02 0.00 0.00 57.16 55.60 1wo8 n GLU 70 Cb 0.25 -1.35 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 1wo8 n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wo8 n GLY 71 N 1.16 1.01 0.40 0.62 0.00 -0.77 -4.91 105.19 102.70 1wo8 n GLY 71 Ca 0.15 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.71 1wo8 n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wo8 n LYS 72 N -2.63 1.11 -4.62 1.61 5.02 -0.53 -4.88 118.16 113.24 1wo8 n LYS 72 Ca -0.10 -0.80 -0.33 0.00 -2.02 0.00 0.00 58.31 55.07 1wo8 n LYS 72 Cb 0.35 -1.48 -0.16 0.00 -0.02 0.00 0.00 35.03 33.72 1wo8 n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wo8 s VAL 73 N -2.44 2.29 0.01 -0.18 1.01 -1.25 -1.51 120.40 118.34 1wo8 s VAL 73 Ca 0.23 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.12 1wo8 s VAL 73 Cb 0.19 -1.94 -0.24 0.00 0.00 0.00 0.00 36.38 34.39 1wo8 s VAL 73 CO 0.52 0.54 1.10 0.25 0.00 0.00 0.00 175.10 177.51 1wo8 h LEU 74 N 7.31 0.58 -7.04 3.92 5.85 -0.96 -3.47 115.31 121.51 1wo8 h LEU 74 Ca -0.32 -0.77 -0.03 0.00 0.84 0.00 0.00 57.88 57.60 1wo8 h LEU 74 Cb 1.19 -0.18 -0.13 0.00 0.37 0.00 0.00 40.66 41.91 1wo8 h LEU 74 CO 0.56 1.28 0.18 0.00 -0.34 0.00 0.00 178.44 180.11 1wo8 s ALA 75 N -3.18 -1.56 -0.08 1.25 0.00 -1.25 -4.24 121.76 112.71 1wo8 s ALA 75 Ca -0.13 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.39 1wo8 s ALA 75 Cb 0.04 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.94 1wo8 s ALA 75 CO 0.84 -0.71 -0.14 0.08 0.00 0.00 0.00 175.76 175.83 1wo8 s VAL 76 N -3.45 1.28 -0.34 0.00 1.01 -0.29 -1.37 120.40 117.24 1wo8 s VAL 76 Ca -0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 1wo8 s VAL 76 Cb -0.01 -1.16 0.05 0.00 0.00 0.00 0.00 36.38 35.27 1wo8 s VAL 76 CO -0.10 0.39 0.10 -0.69 0.00 0.00 0.00 175.10 174.79 1wo8 s VAL 77 N 0.72 3.51 -0.50 2.92 1.01 -0.11 -0.86 120.40 127.09 1wo8 s VAL 77 Ca -0.13 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 60.54 1wo8 s VAL 77 Cb -0.16 -3.06 0.13 0.00 0.00 0.00 0.00 36.38 33.29 1wo8 s VAL 77 CO 0.03 -0.24 0.25 0.12 0.00 0.00 0.00 175.10 175.25 1wo8 s PHE 78 N 1.33 3.01 -0.66 5.22 2.19 0.76 -0.91 117.98 128.92 1wo8 s PHE 78 Ca -0.01 -3.04 -0.27 0.00 0.33 0.00 0.00 56.93 53.93 1wo8 s PHE 78 Cb -0.20 -2.67 0.01 0.00 -1.31 0.00 0.00 43.02 38.85 1wo8 s PHE 78 CO 0.01 -0.76 1.44 -0.51 1.83 0.00 0.00 175.22 177.23 1wo8 s LEU 79 N -0.13 3.26 0.32 6.12 1.43 -0.16 -4.03 118.68 125.49 1wo8 s LEU 79 Ca 0.17 -0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 53.16 1wo8 s LEU 79 Cb -0.25 -2.71 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 1wo8 s LEU 79 CO -0.00 -1.91 0.59 -1.10 0.23 0.00 0.00 176.35 174.16 1wo8 s GLN 80 N 5.94 3.64 -0.46 1.70 -0.21 -1.07 -1.57 119.66 127.62 1wo8 s GLN 80 Ca 0.47 0.06 -0.12 0.00 0.02 0.00 0.00 55.36 55.79 1wo8 s GLN 80 Cb -0.10 -2.60 0.09 0.00 1.00 0.00 0.00 33.01 31.41 1wo8 s GLN 80 CO 0.19 0.15 0.34 0.34 -2.12 0.00 0.00 175.29 174.20 1wo8 s ASP 81 N -3.27 5.85 0.00 5.90 2.15 -1.26 -4.91 116.67 121.12 1wo8 s ASP 81 Ca 0.45 -1.57 0.27 0.00 0.43 0.00 0.00 52.55 52.12 1wo8 s ASP 81 Cb -0.11 -2.07 1.51 0.00 -0.30 0.00 0.00 42.92 41.95 1wo8 s ASP 81 CO 0.31 -0.64 1.94 -0.81 -0.17 0.00 0.00 175.17 175.80 1wo8 n PRO 82 N 5.03 0.67 -0.11 4.34 -0.04 -1.26 -3.35 135.00 140.29 1wo8 n PRO 82 Ca -0.11 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.45 1wo8 n PRO 82 Cb 0.42 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.52 1wo8 n PRO 82 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wo8 n LEU 83 N -1.10 2.84 -4.06 1.53 4.77 -1.26 -4.95 117.00 114.76 1wo8 n LEU 83 Ca 0.17 -1.41 -0.21 0.00 -0.03 0.00 0.00 56.01 54.53 1wo8 n LEU 83 Cb 0.13 -0.15 -0.15 0.00 -2.33 0.00 0.00 43.42 40.93 1wo8 n LEU 83 CO 0.17 0.60 -0.46 -0.89 -1.33 0.00 0.00 177.39 175.49 1wo8 s THR 84 N -1.26 0.96 -0.00 -5.08 2.01 -1.21 -5.13 115.64 105.93 1wo8 s THR 84 Ca 0.27 -0.50 -0.17 0.00 0.31 0.00 0.00 61.69 61.60 1wo8 s THR 84 Cb 0.16 -0.82 -0.06 0.00 0.01 0.00 0.00 72.50 71.79 1wo8 s THR 84 CO 0.23 0.28 0.48 0.00 -0.69 0.00 0.00 174.62 174.91 1wo8 s ALA 85 N -0.12 3.61 0.06 7.40 0.00 -1.26 -4.93 121.76 126.52 1wo8 s ALA 85 Ca 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.88 1wo8 s ALA 85 Cb -0.06 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 1wo8 s ALA 85 CO 0.00 0.35 -0.09 -1.59 0.00 0.00 0.00 175.76 174.43 1wo8 s LYS 86 N -0.70 0.63 0.49 0.00 -2.85 -1.26 -5.04 119.74 111.00 1wo8 s LYS 86 Ca 0.26 -0.88 0.26 0.00 -1.00 0.00 0.00 55.97 54.61 1wo8 s LYS 86 Cb -0.17 -0.38 1.23 0.00 -2.06 0.00 0.00 37.83 36.44 1wo8 s LYS 86 CO 0.15 0.07 1.97 -1.00 0.10 0.00 0.00 175.35 176.63 1wo8 h PRO 87 N 4.24 0.00 -0.86 1.78 0.13 -2.02 -2.80 132.00 132.48 1wo8 h PRO 87 Ca -0.37 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.67 1wo8 h PRO 87 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1wo8 h PRO 87 CO 0.44 0.17 0.12 -2.39 -0.23 0.00 0.00 178.00 176.11 1wo8 n HIS 88 N -3.55 1.25 -0.29 1.56 1.44 -1.26 -4.31 115.22 110.05 1wo8 n HIS 88 Ca -0.01 -0.66 -0.02 0.00 -2.01 0.00 0.00 57.72 55.03 1wo8 n HIS 88 Cb 0.32 -0.42 0.16 0.00 0.12 0.00 0.00 29.99 30.17 1wo8 n HIS 88 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1wo8 h GLU 89 N 1.53 1.16 -0.54 -1.40 4.57 -1.93 -1.19 114.58 116.78 1wo8 h GLU 89 Ca 0.11 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1wo8 h GLU 89 Cb 1.51 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 29.82 1wo8 h GLU 89 CO 0.36 0.80 0.21 -1.00 -1.18 0.00 0.00 179.01 178.20 1wo8 h PRO 90 N 1.18 0.78 -0.59 0.92 0.13 -1.87 -0.24 132.00 132.31 1wo8 h PRO 90 Ca 0.31 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1wo8 h PRO 90 Cb -0.07 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 30.90 1wo8 h PRO 90 CO -0.06 0.65 0.38 -0.44 -0.23 0.00 0.00 178.00 178.30 1wo8 h ASP 91 N 0.77 0.68 0.05 1.44 5.19 -1.58 0.19 116.42 123.15 1wo8 h ASP 91 Ca 0.18 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1wo8 h ASP 91 Cb 0.17 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1wo8 h ASP 91 CO -0.02 0.50 -0.02 0.58 -3.12 0.00 0.00 179.24 177.16 1wo8 h VAL 92 N 0.80 0.95 -0.70 -1.35 2.07 -0.47 -0.75 116.25 116.80 1wo8 h VAL 92 Ca 0.21 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.69 1wo8 h VAL 92 Cb -0.08 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1wo8 h VAL 92 CO -0.05 0.00 0.27 1.56 0.02 0.00 0.00 177.57 179.38 1wo8 h GLN 93 N -0.07 1.04 -0.43 1.57 1.08 -0.71 -1.81 115.11 115.79 1wo8 h GLN 93 Ca -0.01 -0.18 -0.05 0.00 -1.45 0.00 0.00 58.65 56.96 1wo8 h GLN 93 Cb 0.05 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 1wo8 h GLN 93 CO 0.01 0.85 0.08 0.00 -0.95 0.00 0.00 178.83 178.83 1wo8 h ALA 94 N 1.28 0.58 -0.34 3.87 0.00 -0.38 -0.77 119.26 123.50 1wo8 h ALA 94 Ca 0.24 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wo8 h ALA 94 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1wo8 h ALA 94 CO -0.02 0.28 0.20 1.25 0.00 0.00 0.00 179.25 180.96 1wo8 h LEU 95 N 0.58 0.41 -0.88 0.00 5.85 -0.89 -0.92 115.31 119.45 1wo8 h LEU 95 Ca 0.13 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1wo8 h LEU 95 Cb 0.36 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1wo8 h LEU 95 CO 0.01 0.36 0.39 0.24 -0.34 0.00 0.00 178.44 179.09 1wo8 h MET 96 N 0.43 1.20 -0.19 1.25 2.86 -1.20 -1.20 114.93 118.08 1wo8 h MET 96 Ca 0.12 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1wo8 h MET 96 Cb 0.02 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1wo8 h MET 96 CO -0.02 0.92 0.08 -0.09 1.06 0.00 0.00 176.91 178.86 1wo8 h ARG 97 N 1.19 0.28 -0.07 1.72 2.43 -0.74 -1.98 114.38 117.21 1wo8 h ARG 97 Ca 0.29 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.36 1wo8 h ARG 97 Cb 0.13 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1wo8 h ARG 97 CO -0.03 0.34 -0.19 0.28 -1.51 0.00 0.00 179.97 178.86 1wo8 h VAL 98 N 0.16 1.17 -0.52 0.20 2.07 -1.01 -0.04 116.25 118.29 1wo8 h VAL 98 Ca 0.06 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1wo8 h VAL 98 Cb 0.16 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1wo8 h VAL 98 CO -0.01 0.24 0.32 0.00 0.02 0.00 0.00 177.57 178.14 1wo8 h ASN 100 N 0.70 0.85 -0.75 0.00 2.35 -0.53 -0.23 115.58 117.97 1wo8 h ASN 100 Ca 0.19 -0.40 0.05 0.00 -0.55 0.00 0.00 56.30 55.59 1wo8 h ASN 100 Cb -0.03 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.05 1wo8 h ASN 100 CO -0.04 1.16 0.45 0.58 -1.65 0.00 0.00 177.43 177.93 1wo8 h VAL 101 N 0.64 1.02 -0.63 2.81 2.07 -0.70 -2.87 116.25 118.58 1wo8 h VAL 101 Ca 0.04 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1wo8 h VAL 101 Cb 0.99 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1wo8 h VAL 101 CO 0.09 0.15 0.00 1.41 0.02 0.00 0.00 177.57 179.25 1wo8 n HIS 102 N -4.70 1.64 -3.08 1.57 8.25 -0.62 -4.97 115.22 113.31 1wo8 n HIS 102 Ca 0.10 -0.64 -0.23 0.00 -0.26 0.00 0.00 57.72 56.69 1wo8 n HIS 102 Cb 0.16 -0.31 0.03 0.00 1.12 0.00 0.00 29.99 30.99 1wo8 n HIS 102 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wo8 n GLY 103 N 1.01 -0.52 3.61 -1.41 0.00 -0.75 -4.98 105.19 102.15 1wo8 n GLY 103 Ca 0.26 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 46.03 1wo8 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wo8 s VAL 104 N -3.13 5.24 0.27 1.61 1.01 -0.17 -5.03 120.40 120.18 1wo8 s VAL 104 Ca 0.32 0.41 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 1wo8 s VAL 104 Cb -0.15 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 1wo8 s VAL 104 CO 0.40 0.21 1.53 -2.16 0.00 0.00 0.00 175.10 175.08 1wo8 s PRO 105 N 1.84 4.19 -0.06 2.72 0.04 -1.26 -4.58 135.00 137.88 1wo8 s PRO 105 Ca 0.12 2.46 0.02 0.00 0.04 0.00 0.00 61.00 63.63 1wo8 s PRO 105 Cb -0.16 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.33 1wo8 s PRO 105 CO 0.10 -0.55 -0.10 -1.17 0.04 0.00 0.00 177.00 175.32 1wo8 s LEU 106 N -0.34 1.57 -0.17 -3.56 0.20 -1.26 -1.13 118.68 113.99 1wo8 s LEU 106 Ca 0.62 -0.26 -0.06 0.00 0.69 0.00 0.00 54.13 55.13 1wo8 s LEU 106 Cb -0.45 -0.74 -0.03 0.00 -0.43 0.00 0.00 46.19 44.54 1wo8 s LEU 106 CO 0.45 0.01 0.02 0.00 -0.29 0.00 0.00 176.35 176.53 1wo8 s ALA 107 N 0.73 3.21 -1.25 5.97 0.00 -0.04 -5.00 121.76 125.38 1wo8 s ALA 107 Ca -0.14 -0.79 0.17 0.00 0.00 0.00 0.00 51.96 51.20 1wo8 s ALA 107 Cb -0.15 -1.75 -0.08 0.00 0.00 0.00 0.00 23.12 21.13 1wo8 s ALA 107 CO 0.03 0.18 0.82 0.25 0.00 0.00 0.00 175.76 177.04 1wo8 n THR 108 N 3.57 0.00 -4.11 0.00 -2.24 -1.26 -0.17 114.28 110.07 1wo8 n THR 108 Ca -0.17 -0.23 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 1wo8 n THR 108 Cb 0.52 1.12 -0.08 0.00 -2.10 0.00 0.00 70.33 69.79 1wo8 n THR 108 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wo8 s ASN 109 N -2.26 0.15 0.17 3.42 2.20 -1.26 -2.60 114.94 114.76 1wo8 s ASN 109 Ca 0.11 -1.22 -0.14 0.00 -0.94 0.00 0.00 52.86 50.67 1wo8 s ASN 109 Cb 0.13 0.49 0.14 0.00 -2.00 0.00 0.00 41.25 40.01 1wo8 s ASN 109 CO 0.55 -1.00 1.73 0.25 -2.94 0.00 0.00 177.10 175.69 1wo8 h LEU 110 N 2.42 0.08 -0.77 3.54 5.85 -1.95 -0.63 115.31 123.85 1wo8 h LEU 110 Ca -0.31 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 1wo8 h LEU 110 Cb 1.25 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 1wo8 h LEU 110 CO 0.44 0.08 0.31 0.58 -0.34 0.00 0.00 178.44 179.51 1wo8 h VAL 111 N 0.27 1.26 -0.34 1.05 2.07 -1.99 -0.38 116.25 118.18 1wo8 h VAL 111 Ca 0.21 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 1wo8 h VAL 111 Cb 0.24 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1wo8 h VAL 111 CO -0.25 0.33 -0.06 0.00 0.02 0.00 0.00 177.57 177.61 1wo8 h ALA 112 N 1.16 1.27 -0.40 1.67 0.00 -1.89 -2.04 119.26 119.02 1wo8 h ALA 112 Ca 0.26 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1wo8 h ALA 112 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1wo8 h ALA 112 CO -0.02 0.49 -0.15 0.00 0.00 0.00 0.00 179.25 179.57 1wo8 h ALA 113 N 1.42 0.99 -0.62 0.00 0.00 -0.19 -0.57 119.26 120.29 1wo8 h ALA 113 Ca 0.10 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1wo8 h ALA 113 Cb 0.42 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1wo8 h ALA 113 CO 0.02 0.60 0.03 0.93 0.00 0.00 0.00 179.25 180.83 1wo8 h GLU 114 N 0.65 1.07 -0.57 0.00 4.39 -0.59 -0.08 114.58 119.45 1wo8 h GLU 114 Ca 0.11 -0.32 -0.09 0.00 0.34 0.00 0.00 59.36 59.39 1wo8 h GLU 114 Cb 0.62 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1wo8 h GLU 114 CO 0.04 1.02 -0.01 0.00 -1.16 0.00 0.00 179.01 178.91 1wo8 h ALA 115 N 1.04 0.77 -0.38 3.43 0.00 -1.02 -2.86 119.26 120.23 1wo8 h ALA 115 Ca 0.18 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1wo8 h ALA 115 Cb 0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1wo8 h ALA 115 CO 0.02 0.61 -0.35 1.25 0.00 0.00 0.00 179.25 180.78 1wo8 h LEU 116 N 0.90 0.93 -1.19 0.00 5.85 -0.81 -2.63 115.31 118.35 1wo8 h LEU 116 Ca 0.16 -0.41 -0.08 0.00 0.84 0.00 0.00 57.88 58.39 1wo8 h LEU 116 Cb 0.56 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1wo8 h LEU 116 CO 0.03 1.18 -0.34 -0.29 -0.34 0.00 0.00 178.44 178.68 1wo8 h ILE 117 N 0.73 1.27 -0.39 4.05 6.09 -0.99 -0.44 117.51 127.82 1wo8 h ILE 117 Ca 0.07 -1.27 -0.15 0.00 -1.37 0.00 0.00 64.86 62.14 1wo8 h ILE 117 Cb 0.92 1.61 -0.01 0.00 0.47 0.00 0.00 36.82 39.82 1wo8 h ILE 117 CO 0.09 0.37 -0.33 0.00 -3.07 0.00 0.00 178.15 175.20 1wo8 h ALA 118 N 1.56 0.66 -0.61 0.18 0.00 -1.40 -1.55 119.26 118.10 1wo8 h ALA 118 Ca 0.01 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1wo8 h ALA 118 Cb 0.66 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1wo8 h ALA 118 CO 0.05 0.67 0.03 2.35 0.00 0.00 0.00 179.25 182.35 1wo8 h TRP 119 N 0.75 1.13 0.04 0.00 7.01 -1.04 -1.31 115.95 122.53 1wo8 h TRP 119 Ca 0.07 -0.18 -0.00 0.00 2.11 0.00 0.00 58.89 60.89 1wo8 h TRP 119 Cb 0.91 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.67 1wo8 h TRP 119 CO 0.06 0.98 -0.02 0.82 -2.79 0.00 0.00 178.44 177.49 1wo8 h ILE 120 N 0.96 1.14 -0.40 2.65 2.04 -0.93 -2.40 117.51 120.57 1wo8 h ILE 120 Ca 0.18 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1wo8 h ILE 120 Cb 0.52 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1wo8 h ILE 120 CO 0.02 0.14 0.23 -0.09 0.00 0.00 0.00 178.15 178.45 1wo8 h ARG 121 N -0.29 0.45 -0.35 2.37 2.43 -1.22 -2.74 114.38 115.04 1wo8 h ARG 121 Ca -0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1wo8 h ARG 121 Cb 0.26 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1wo8 h ARG 121 CO 0.01 0.30 0.16 -0.22 -1.51 0.00 0.00 179.97 178.70 1wo8 h LYS 122 N 0.46 0.48 -0.57 0.20 1.63 -1.21 -3.08 116.57 114.48 1wo8 h LYS 122 Ca 0.16 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1wo8 h LYS 122 Cb 0.02 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 1wo8 h LYS 122 CO -0.08 0.38 0.00 0.41 -3.45 0.00 0.00 179.45 176.72 1wo8 n GLY 123 N -1.29 1.74 3.69 5.01 0.00 -0.91 -4.95 105.19 108.49 1wo8 n GLY 123 Ca 0.02 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1wo8 n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wo8 s THR 124 N -1.25 3.25 0.95 2.61 2.01 -1.13 -4.97 115.64 117.12 1wo8 s THR 124 Ca 0.40 0.71 -0.11 0.00 0.31 0.00 0.00 61.69 63.00 1wo8 s THR 124 Cb 0.21 -3.46 0.17 0.00 0.01 0.00 0.00 72.50 69.43 1wo8 s THR 124 CO 0.28 0.00 1.10 -2.84 -0.69 0.00 0.00 174.62 172.47 1wo8 s PRO 125 N 2.41 0.74 0.00 4.92 0.02 -1.26 -5.11 135.00 136.72 1wo8 s PRO 125 Ca 0.70 1.18 0.00 0.00 0.02 0.00 0.00 61.00 62.90 1wo8 s PRO 125 Cb -0.37 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.43 1wo8 s PRO 125 CO 0.30 -2.70 0.00 0.00 -0.33 0.00 0.00 177.00 174.27