#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wo8 n LYS 2 N 0.00 1.21 -3.09 2.12 5.02 -1.26 -4.80 118.16 117.36 1wo8 n LYS 2 Ca 0.00 0.47 -0.18 0.00 -2.02 0.00 0.00 58.31 56.58 1wo8 n LYS 2 Cb 0.00 -2.54 0.01 0.00 -0.02 0.00 0.00 35.03 32.48 1wo8 n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wo8 s ALA 3 N -1.37 4.32 -0.20 7.82 0.00 -0.37 -4.39 121.76 127.57 1wo8 s ALA 3 Ca 0.81 -1.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 1wo8 s ALA 3 Cb -0.39 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.99 1wo8 s ALA 3 CO 0.42 -0.28 -0.05 -0.51 0.00 0.00 0.00 175.76 175.34 1wo8 s LEU 4 N -4.37 2.96 -0.09 0.00 1.43 -0.40 -0.21 118.68 117.99 1wo8 s LEU 4 Ca 0.52 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 53.14 1wo8 s LEU 4 Cb -0.10 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 1wo8 s LEU 4 CO 0.33 0.03 0.38 0.00 0.23 0.00 0.00 176.35 177.33 1wo8 s ALA 5 N 1.18 3.60 -0.16 4.21 0.00 -0.45 -1.34 121.76 128.80 1wo8 s ALA 5 Ca 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1wo8 s ALA 5 Cb -0.14 -2.45 0.02 0.00 0.00 0.00 0.00 23.12 20.55 1wo8 s ALA 5 CO -0.01 0.21 -0.16 -0.51 0.00 0.00 0.00 175.76 175.30 1wo8 s LEU 6 N -0.05 1.80 -0.01 0.00 1.43 0.19 -0.86 118.68 121.18 1wo8 s LEU 6 Ca 0.22 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1wo8 s LEU 6 Cb -0.15 -1.26 -0.00 0.00 0.03 0.00 0.00 46.19 44.81 1wo8 s LEU 6 CO 0.09 -0.04 -0.06 -0.63 0.23 0.00 0.00 176.35 175.93 1wo8 s ILE 7 N 1.43 0.54 -0.06 -0.59 1.01 0.04 -3.24 121.20 120.34 1wo8 s ILE 7 Ca 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 1wo8 s ILE 7 Cb -0.13 -0.48 0.04 0.00 0.01 0.00 0.00 42.46 41.90 1wo8 s ILE 7 CO -0.11 0.17 0.12 0.00 0.00 0.00 0.00 174.94 175.11 1wo8 s ALA 8 N 0.03 -0.14 0.63 9.38 0.00 -1.26 -0.91 121.76 129.48 1wo8 s ALA 8 Ca 0.00 0.55 -0.15 0.00 0.00 0.00 0.00 51.96 52.35 1wo8 s ALA 8 Cb -0.05 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1wo8 s ALA 8 CO -0.00 -0.23 1.09 -1.01 0.00 0.00 0.00 175.76 175.61 1wo8 s HIS 9 N 1.38 2.76 0.27 0.00 3.76 -0.64 -4.73 115.29 118.09 1wo8 s HIS 9 Ca -0.07 1.53 -0.06 0.00 -0.15 0.00 0.00 55.06 56.32 1wo8 s HIS 9 Cb -0.12 -3.11 0.49 0.00 1.11 0.00 0.00 32.58 30.95 1wo8 s HIS 9 CO -0.05 -1.47 1.59 -0.44 -0.85 0.00 0.00 174.74 173.52 1wo8 h ASP 10 N 0.21 -0.65 0.39 1.40 3.32 -2.00 0.19 116.42 119.28 1wo8 h ASP 10 Ca -0.47 0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1wo8 h ASP 10 Cb 1.24 0.50 0.00 0.00 0.22 0.00 0.00 39.33 41.28 1wo8 h ASP 10 CO 0.55 -0.29 0.00 0.00 -1.72 0.00 0.00 179.24 177.79 1wo8 n ALA 11 N -3.28 1.38 0.03 3.45 0.00 -1.26 -2.32 120.51 118.50 1wo8 n ALA 11 Ca 0.16 0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.76 1wo8 n ALA 11 Cb 0.53 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.74 1wo8 n ALA 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wo8 n LYS 12 N -2.17 2.02 -0.24 0.00 4.76 0.62 -4.68 118.16 118.46 1wo8 n LYS 12 Ca 0.01 -1.63 -0.07 0.00 -2.87 0.00 0.00 58.31 53.74 1wo8 n LYS 12 Cb 0.14 -1.20 0.04 0.00 -1.84 0.00 0.00 35.03 32.17 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 1.63 1.06 -0.84 1.97 1.57 -1.09 -0.41 116.57 120.47 1wo8 h LYS 13 Ca 0.00 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 1wo8 h LYS 13 Cb 0.58 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 1wo8 h LYS 13 CO 0.00 0.93 0.40 -0.44 -0.57 0.00 0.00 179.45 179.77 1wo8 h ASP 14 N 0.99 1.10 -0.60 0.86 3.32 -1.83 -0.39 116.42 119.86 1wo8 h ASP 14 Ca 0.21 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1wo8 h ASP 14 Cb 0.33 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1wo8 h ASP 14 CO -0.00 0.92 0.29 -0.08 -1.72 0.00 0.00 179.24 178.66 1wo8 h GLU 15 N 1.19 0.86 -0.33 3.56 4.81 -1.77 -1.70 114.58 121.20 1wo8 h GLU 15 Ca 0.29 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1wo8 h GLU 15 Cb 0.12 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1wo8 h GLU 15 CO -0.04 0.69 0.11 1.98 -0.73 0.00 0.00 179.01 181.03 1wo8 h MET 16 N 0.82 0.52 -0.00 1.92 4.05 -0.47 -1.32 114.93 120.44 1wo8 h MET 16 Ca 0.21 -0.11 0.02 0.00 -0.28 0.00 0.00 59.70 59.54 1wo8 h MET 16 Cb 0.11 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.80 1wo8 h MET 16 CO -0.03 0.54 -0.15 0.28 0.23 0.00 0.00 176.91 177.78 1wo8 h VAL 17 N 0.39 0.64 -0.80 -5.77 2.07 -0.84 -0.48 116.25 111.46 1wo8 h VAL 17 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 1wo8 h VAL 17 Cb 0.23 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1wo8 h VAL 17 CO -0.00 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.11 1wo8 h ALA 18 N 0.70 1.51 -0.36 1.67 0.00 -1.23 -0.20 119.26 121.36 1wo8 h ALA 18 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1wo8 h ALA 18 Cb 0.31 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1wo8 h ALA 18 CO -0.15 0.41 0.20 0.35 0.00 0.00 0.00 179.25 180.06 1wo8 h PHE 19 N 0.99 0.49 -0.33 0.00 3.57 -0.50 -0.36 116.94 120.79 1wo8 h PHE 19 Ca 0.32 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.68 1wo8 h PHE 19 Cb 0.03 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1wo8 h PHE 19 CO -0.00 0.38 -0.31 0.00 -2.23 0.00 0.00 178.31 176.15 1wo8 h LEU 21 N 0.61 0.58 -1.17 0.00 5.85 -0.92 0.29 115.31 120.55 1wo8 h LEU 21 Ca 0.07 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1wo8 h LEU 21 Cb 0.82 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1wo8 h LEU 21 CO 0.07 0.42 -0.39 -0.09 -0.34 0.00 0.00 178.44 178.11 1wo8 h ARG 22 N 0.69 0.00 -0.13 1.25 2.43 -0.83 -3.17 114.38 114.61 1wo8 h ARG 22 Ca 0.19 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1wo8 h ARG 22 Cb -0.06 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1wo8 h ARG 22 CO -0.05 0.39 -0.14 0.72 -1.51 0.00 0.00 179.97 179.38 1wo8 n HIS 23 N -3.87 0.44 -0.22 2.20 8.25 -0.48 -4.82 115.22 116.71 1wo8 n HIS 23 Ca -0.01 -1.23 0.01 0.00 -0.26 0.00 0.00 57.72 56.23 1wo8 n HIS 23 Cb 0.45 -0.28 0.09 0.00 1.12 0.00 0.00 29.99 31.37 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 0.83 0.05 -0.70 -0.41 3.64 -0.39 -1.95 116.57 117.63 1wo8 h LYS 24 Ca 0.05 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1wo8 h LYS 24 Cb 1.24 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1wo8 h LYS 24 CO 0.13 0.03 0.41 -0.44 -2.27 0.00 0.00 179.45 177.32 1wo8 h ASP 25 N 0.05 0.84 -0.10 4.20 3.32 -1.87 -0.79 116.42 122.07 1wo8 h ASP 25 Ca 0.33 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.20 1wo8 h ASP 25 Cb 0.54 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.88 1wo8 h ASP 25 CO -0.62 0.66 -0.47 0.58 -1.72 0.00 0.00 179.24 177.67 1wo8 h VAL 26 N 0.97 1.37 0.00 -1.35 2.07 -1.81 -3.21 116.25 114.29 1wo8 h VAL 26 Ca 0.25 -1.80 -0.03 0.00 0.82 0.00 0.00 66.70 65.94 1wo8 h VAL 26 Cb -0.02 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1wo8 h VAL 26 CO -0.05 0.54 -0.16 -0.07 0.02 0.00 0.00 177.57 177.85 1wo8 h LEU 27 N 0.08 0.00 -1.94 2.57 3.38 -1.12 -2.50 115.31 115.78 1wo8 h LEU 27 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1wo8 h LEU 27 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1wo8 h LEU 27 CO 0.10 0.16 -0.03 0.00 0.09 0.00 0.00 178.44 178.76 1wo8 h ALA 28 N 1.84 1.04 -0.00 1.53 0.00 -1.15 -2.51 119.26 120.01 1wo8 h ALA 28 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wo8 h ALA 28 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wo8 h ALA 28 CO 0.02 0.04 -0.06 0.54 0.00 0.00 0.00 179.25 179.79 1wo8 n ARG 29 N -3.18 0.45 -4.31 0.00 1.74 -0.94 -4.87 116.66 105.55 1wo8 n ARG 29 Ca -0.01 -0.08 -0.21 0.00 -0.77 0.00 0.00 57.85 56.79 1wo8 n ARG 29 Cb 0.24 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.07 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 -2.60 1.74 0.25 -1.55 1.51 -0.95 -5.11 117.35 110.64 1wo8 s TYR 30 Ca 0.27 -0.48 -0.30 0.00 -1.01 0.00 0.00 57.07 55.55 1wo8 s TYR 30 Cb 0.20 -0.88 -0.09 0.00 -0.11 0.00 0.00 41.96 41.08 1wo8 s TYR 30 CO 0.48 0.29 1.20 -2.14 -1.11 0.00 0.00 175.55 174.27 1wo8 s PRO 31 N -2.72 4.51 0.01 -1.71 0.02 -1.26 -4.90 135.00 128.94 1wo8 s PRO 31 Ca 0.14 1.94 0.04 0.00 0.02 0.00 0.00 61.00 63.13 1wo8 s PRO 31 Cb -0.06 -3.18 -0.03 0.00 0.02 0.00 0.00 34.50 31.25 1wo8 s PRO 31 CO 0.06 -0.02 -0.08 -0.51 -0.33 0.00 0.00 177.00 176.12 1wo8 s LEU 32 N -0.96 3.09 -0.02 -5.54 1.43 -1.25 -1.28 118.68 114.15 1wo8 s LEU 32 Ca 0.49 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 1wo8 s LEU 32 Cb -0.34 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1wo8 s LEU 32 CO 0.42 0.28 -0.06 -0.22 0.23 0.00 0.00 176.35 176.99 1wo8 s LEU 33 N -1.43 1.69 0.03 1.79 2.96 -0.45 -0.82 118.68 122.46 1wo8 s LEU 33 Ca 0.17 -0.13 -0.15 0.00 -0.22 0.00 0.00 54.13 53.79 1wo8 s LEU 33 Cb -0.11 -0.42 0.02 0.00 0.50 0.00 0.00 46.19 46.18 1wo8 s LEU 33 CO 0.07 0.02 0.33 0.00 -1.32 0.00 0.00 176.35 175.46 1wo8 s ALA 34 N 0.34 -0.78 0.71 5.97 0.00 -0.40 0.53 121.76 128.13 1wo8 s ALA 34 Ca -0.04 0.15 -0.14 0.00 0.00 0.00 0.00 51.96 51.93 1wo8 s ALA 34 Cb -0.09 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.33 1wo8 s ALA 34 CO 0.00 -0.39 1.14 0.95 0.00 0.00 0.00 175.76 177.46 1wo8 s THR 35 N -2.27 2.90 0.00 0.00 -4.23 -1.20 -1.50 115.64 109.34 1wo8 s THR 35 Ca -0.07 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 1wo8 s THR 35 Cb -0.02 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.93 1wo8 s THR 35 CO -0.01 -0.28 0.11 0.61 -0.54 0.00 0.00 174.62 174.51 1wo8 n GLY 36 N -0.29 -0.80 0.29 3.99 0.00 -0.37 -1.04 105.19 106.98 1wo8 n GLY 36 Ca 0.11 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 46.22 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 1.26 -0.59 2.61 2.02 -1.89 -2.71 112.91 113.61 1wo8 h THR 37 Ca 0.00 -1.21 0.05 0.00 0.77 0.00 0.00 66.41 66.02 1wo8 h THR 37 Cb 0.00 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 1wo8 h THR 37 CO 0.00 0.42 0.33 0.74 0.37 0.00 0.00 175.52 177.38 1wo8 h THR 38 N 0.82 0.99 -0.77 3.16 2.02 -1.79 -0.87 112.91 116.47 1wo8 h THR 38 Ca 0.14 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1wo8 h THR 38 Cb 0.62 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1wo8 h THR 38 CO 0.04 0.11 0.43 1.23 0.37 0.00 0.00 175.52 177.70 1wo8 h GLY 39 N 0.62 1.15 0.88 2.16 0.00 -0.91 -1.73 103.07 105.25 1wo8 h GLY 39 Ca 0.26 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1wo8 h GLY 39 CO -0.15 0.50 0.07 0.00 0.00 0.00 0.00 176.54 176.96 1wo8 h ALA 40 N 1.22 0.24 -0.87 3.60 0.00 -1.09 -1.19 119.26 121.17 1wo8 h ALA 40 Ca 0.27 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1wo8 h ALA 40 Cb 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1wo8 h ALA 40 CO -0.04 -0.17 0.57 0.00 0.00 0.00 0.00 179.25 179.61 1wo8 h ARG 41 N 0.14 1.04 0.00 0.00 2.47 -1.00 -1.51 114.38 115.52 1wo8 h ARG 41 Ca 0.06 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1wo8 h ARG 41 Cb 0.18 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1wo8 h ARG 41 CO -0.00 0.69 -0.00 0.82 0.56 0.00 0.00 179.97 182.03 1wo8 h ILE 42 N 1.07 1.36 -0.33 2.04 2.04 -1.08 -2.87 117.51 119.74 1wo8 h ILE 42 Ca 0.35 -1.08 0.06 0.00 1.00 0.00 0.00 64.86 65.19 1wo8 h ILE 42 Cb 0.05 2.10 -0.06 0.00 -0.74 0.00 0.00 36.82 38.18 1wo8 h ILE 42 CO -0.11 0.28 -0.02 1.56 0.00 0.00 0.00 178.15 179.87 1wo8 h GLN 43 N -0.47 0.07 -0.68 2.37 4.20 -0.98 -0.82 115.11 118.81 1wo8 h GLN 43 Ca -0.00 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1wo8 h GLN 43 Cb 0.46 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1wo8 h GLN 43 CO 0.00 0.05 0.45 0.93 -0.67 0.00 0.00 178.83 179.59 1wo8 h GLU 44 N 0.07 0.71 0.00 1.46 5.08 -1.32 0.87 114.58 121.45 1wo8 h GLU 44 Ca 0.16 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1wo8 h GLU 44 Cb 0.23 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1wo8 h GLU 44 CO -0.29 0.47 -1.15 0.00 -1.00 0.00 0.00 179.01 177.05 1wo8 n ALA 45 N -2.45 3.40 0.00 3.43 0.00 -0.93 -4.64 120.51 119.32 1wo8 n ALA 45 Ca 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1wo8 n ALA 45 Cb 0.20 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1wo8 n ALA 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wo8 n THR 46 N -2.00 0.00 -0.98 0.00 -2.24 -0.36 -4.94 114.28 103.77 1wo8 n THR 46 Ca 0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1wo8 n THR 46 Cb 0.45 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.52 0.77 3.76 3.38 0.00 0.29 -5.00 105.19 109.91 1wo8 n GLY 47 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 3.67 -0.49 0.99 1.43 -1.26 -4.95 118.68 118.07 1wo8 s LEU 48 Ca 0.00 2.36 -0.25 0.00 -1.03 0.00 0.00 54.13 55.21 1wo8 s LEU 48 Cb 0.00 -4.60 0.03 0.00 0.03 0.00 0.00 46.19 41.66 1wo8 s LEU 48 CO 0.00 -1.55 0.92 0.00 0.23 0.00 0.00 176.35 175.95 1wo8 s ALA 49 N -1.62 3.21 -0.12 4.21 0.00 -1.26 -4.57 121.76 121.62 1wo8 s ALA 49 Ca 0.77 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.78 1wo8 s ALA 49 Cb -0.29 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 19.18 1wo8 s ALA 49 CO 0.32 -2.16 -0.18 0.08 0.00 0.00 0.00 175.76 173.82 1wo8 s VAL 50 N 3.78 1.73 -0.20 0.00 1.01 -1.26 -3.94 120.40 121.52 1wo8 s VAL 50 Ca 0.34 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 1wo8 s VAL 50 Cb -0.11 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 1wo8 s VAL 50 CO 0.24 0.49 0.92 -0.70 0.00 0.00 0.00 175.10 176.04 1wo8 s GLU 51 N 0.83 4.27 -0.09 2.72 2.12 0.00 -4.92 118.70 123.64 1wo8 s GLU 51 Ca -0.09 1.15 -0.12 0.00 0.36 0.00 0.00 54.97 56.28 1wo8 s GLU 51 Cb -0.16 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.58 1wo8 s GLU 51 CO -0.00 -0.47 0.29 1.03 -0.54 0.00 0.00 175.26 175.57 1wo8 s ARG 52 N 2.62 3.89 0.00 4.30 0.52 -1.26 -1.27 118.95 127.75 1wo8 s ARG 52 Ca 0.41 0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 1wo8 s ARG 52 Cb -0.16 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.03 1wo8 s ARG 52 CO 0.10 0.57 0.00 1.33 0.02 0.00 0.00 175.30 177.32 1wo8 n VAL 53 N 2.45 0.00 -0.99 3.52 0.24 -0.56 -4.92 118.33 118.06 1wo8 n VAL 53 Ca -0.15 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.85 1wo8 n VAL 53 Cb 0.53 -0.36 0.17 0.00 -1.47 0.00 0.00 33.84 32.71 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 2.05 0.85 1.34 1.43 -1.26 -1.23 118.68 121.86 1wo8 s LEU 54 Ca 0.00 1.60 -0.11 0.00 -1.03 0.00 0.00 54.13 54.59 1wo8 s LEU 54 Cb 0.00 -3.91 0.10 0.00 0.03 0.00 0.00 46.19 42.42 1wo8 s LEU 54 CO 0.00 -3.03 1.09 -0.94 0.23 0.00 0.00 176.35 173.70 1wo8 s SER 55 N -3.13 3.86 0.12 2.29 1.04 -1.26 -1.93 113.70 114.69 1wo8 s SER 55 Ca 0.65 1.61 -0.21 0.00 0.48 0.00 0.00 55.95 58.47 1wo8 s SER 55 Cb -0.20 -2.29 -0.05 0.00 0.10 0.00 0.00 66.02 63.58 1wo8 s SER 55 CO 0.59 -2.41 1.70 1.23 0.98 0.00 0.00 173.24 175.32 1wo8 h GLY 56 N -1.39 0.05 1.01 7.32 0.00 -1.94 -0.20 103.07 107.91 1wo8 h GLY 56 Ca -0.47 0.09 0.12 0.00 0.00 0.00 0.00 47.33 47.07 1wo8 h GLY 56 CO 0.53 -0.09 0.39 -2.55 0.00 0.00 0.00 176.54 174.82 1wo8 h PRO 57 N -0.06 0.24 -0.01 4.80 0.11 -1.97 -1.88 132.00 133.23 1wo8 h PRO 57 Ca 0.08 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1wo8 h PRO 57 Cb 0.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1wo8 h PRO 57 CO -0.17 0.16 -0.19 1.28 -0.21 0.00 0.00 178.00 178.87 1wo8 n LEU 58 N -4.45 0.89 0.00 2.35 4.77 -0.82 -4.92 117.00 114.82 1wo8 n LEU 58 Ca 0.10 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1wo8 n LEU 58 Cb 0.46 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1wo8 n LEU 58 CO 0.35 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1wo8 n GLY 59 N 1.30 1.14 0.38 -0.72 0.00 -0.71 -4.89 105.19 101.70 1wo8 n GLY 59 Ca 0.14 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.31 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 1.15 1.77 -0.02 0.00 -1.13 -0.46 103.07 104.38 1wo8 h GLY 60 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1wo8 h GLY 60 CO 0.00 0.02 0.05 -0.55 0.00 0.00 0.00 176.54 176.05 1wo8 h ASP 61 N 0.57 0.26 0.55 0.19 3.32 -1.80 -1.74 116.42 117.76 1wo8 h ASP 61 Ca 0.48 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.32 1wo8 h ASP 61 Cb 0.97 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1wo8 h ASP 61 CO -0.22 0.28 -0.81 -0.07 -1.72 0.00 0.00 179.24 176.70 1wo8 h LEU 62 N 0.30 0.24 -0.49 1.55 3.38 -1.39 -0.26 115.31 118.62 1wo8 h LEU 62 Ca 0.07 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1wo8 h LEU 62 Cb 0.13 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1wo8 h LEU 62 CO -0.00 0.94 -0.09 1.56 0.09 0.00 0.00 178.44 180.94 1wo8 h GLN 63 N 0.11 0.93 -0.29 1.13 4.20 -1.19 0.57 115.11 120.56 1wo8 h GLN 63 Ca -0.03 -0.34 -0.16 0.00 0.06 0.00 0.00 58.65 58.18 1wo8 h GLN 63 Cb 1.40 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 1wo8 h GLN 63 CO 0.12 1.00 -0.45 0.82 -0.67 0.00 0.00 178.83 179.64 1wo8 h ILE 64 N 0.78 1.29 -0.37 2.54 2.04 -1.31 -2.79 117.51 119.68 1wo8 h ILE 64 Ca 0.13 -1.64 -0.06 0.00 1.00 0.00 0.00 64.86 64.28 1wo8 h ILE 64 Cb 0.64 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1wo8 h ILE 64 CO 0.04 0.53 -0.03 1.23 0.00 0.00 0.00 178.15 179.93 1wo8 h GLY 65 N 0.88 0.65 1.02 5.37 0.00 -0.79 -0.62 103.07 109.58 1wo8 h GLY 65 Ca 0.04 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1wo8 h GLY 65 CO 0.10 0.39 0.17 0.00 0.00 0.00 0.00 176.54 177.20 1wo8 h ALA 66 N 1.40 0.81 -0.19 3.60 0.00 -0.76 -0.05 119.26 124.07 1wo8 h ALA 66 Ca 0.12 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1wo8 h ALA 66 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1wo8 h ALA 66 CO 0.02 0.50 -0.34 0.00 0.00 0.00 0.00 179.25 179.42 1wo8 h ARG 67 N 0.89 0.41 -0.34 0.00 3.08 -1.19 -1.41 114.38 115.82 1wo8 h ARG 67 Ca 0.20 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1wo8 h ARG 67 Cb 0.32 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1wo8 h ARG 67 CO -0.00 0.70 0.08 0.28 -1.07 0.00 0.00 179.97 179.96 1wo8 h VAL 68 N 0.35 1.22 -0.05 2.04 2.07 -0.66 -1.56 116.25 119.66 1wo8 h VAL 68 Ca 0.04 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1wo8 h VAL 68 Cb 0.77 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1wo8 h VAL 68 CO 0.06 0.25 -0.12 0.00 0.02 0.00 0.00 177.57 177.79 1wo8 h ALA 69 N 0.92 1.71 -0.00 1.67 0.00 -0.68 -2.04 119.26 120.83 1wo8 h ALA 69 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wo8 h ALA 69 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1wo8 h ALA 69 CO 0.00 0.21 -0.00 0.39 0.00 0.00 0.00 179.25 179.85 1wo8 n GLU 70 N -4.36 1.20 -1.75 0.00 1.02 -0.56 -4.91 120.64 111.29 1wo8 n GLU 70 Ca -0.02 -0.31 -0.05 0.00 -0.02 0.00 0.00 57.16 56.75 1wo8 n GLU 70 Cb 0.21 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.13 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 1.06 0.39 0.97 0.62 0.00 -0.77 -4.93 105.19 102.54 1wo8 n GLY 71 Ca 0.22 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.02 2.41 -4.64 1.61 5.02 -0.62 -4.92 118.16 115.01 1wo8 n LYS 72 Ca -0.06 -2.17 -0.29 0.00 -2.02 0.00 0.00 58.31 53.76 1wo8 n LYS 72 Cb 0.41 -1.42 -0.17 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.18 1.64 -0.03 -0.18 1.01 -1.25 -1.24 120.40 119.17 1wo8 s VAL 73 Ca 0.34 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 1wo8 s VAL 73 Cb 0.19 -1.47 -0.32 0.00 0.00 0.00 0.00 36.38 34.77 1wo8 s VAL 73 CO 0.26 0.47 0.87 0.25 0.00 0.00 0.00 175.10 176.95 1wo8 h LEU 74 N 7.22 0.61 -7.08 3.92 5.85 -0.85 -3.46 115.31 121.52 1wo8 h LEU 74 Ca -0.29 -0.93 -0.03 0.00 0.84 0.00 0.00 57.88 57.46 1wo8 h LEU 74 Cb 1.19 -0.20 -0.14 0.00 0.37 0.00 0.00 40.66 41.89 1wo8 h LEU 74 CO 0.50 1.57 0.15 0.00 -0.34 0.00 0.00 178.44 180.31 1wo8 s ALA 75 N -2.50 -1.50 -0.07 1.25 0.00 -1.24 -4.25 121.76 113.45 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 0.03 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.85 1wo8 s ALA 75 CO 0.87 -0.67 -0.13 0.08 0.00 0.00 0.00 175.76 175.91 1wo8 s VAL 76 N -3.26 1.20 -0.34 0.00 1.01 -0.43 -1.34 120.40 117.22 1wo8 s VAL 76 Ca -0.01 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1wo8 s VAL 76 Cb -0.00 -1.09 0.07 0.00 0.00 0.00 0.00 36.38 35.36 1wo8 s VAL 76 CO -0.09 0.37 0.08 -0.69 0.00 0.00 0.00 175.10 174.78 1wo8 s VAL 77 N 0.60 3.13 -0.50 2.92 1.01 -0.04 -1.00 120.40 126.52 1wo8 s VAL 77 Ca -0.14 -1.65 0.03 0.00 0.00 0.00 0.00 61.98 60.22 1wo8 s VAL 77 Cb -0.16 -2.94 0.13 0.00 0.00 0.00 0.00 36.38 33.41 1wo8 s VAL 77 CO 0.04 -0.34 0.24 0.12 0.00 0.00 0.00 175.10 175.15 1wo8 s PHE 78 N 1.21 3.32 -0.69 5.22 2.19 0.37 -0.78 117.98 128.82 1wo8 s PHE 78 Ca 0.01 -3.09 -0.27 0.00 0.33 0.00 0.00 56.93 53.91 1wo8 s PHE 78 Cb -0.21 -2.89 0.02 0.00 -1.31 0.00 0.00 43.02 38.64 1wo8 s PHE 78 CO -0.02 -0.79 1.38 -0.51 1.83 0.00 0.00 175.22 177.11 1wo8 s LEU 79 N -0.04 3.23 0.31 6.12 1.43 -0.09 -4.06 118.68 125.58 1wo8 s LEU 79 Ca 0.16 -0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 52.98 1wo8 s LEU 79 Cb -0.24 -2.65 -0.06 0.00 0.03 0.00 0.00 46.19 43.27 1wo8 s LEU 79 CO -0.02 -1.88 0.61 -1.10 0.23 0.00 0.00 176.35 174.19 1wo8 s GLN 80 N 5.86 3.70 -0.47 1.70 -0.21 -1.10 -1.62 119.66 127.51 1wo8 s GLN 80 Ca 0.42 0.17 -0.13 0.00 0.02 0.00 0.00 55.36 55.85 1wo8 s GLN 80 Cb -0.09 -2.57 0.09 0.00 1.00 0.00 0.00 33.01 31.44 1wo8 s GLN 80 CO 0.18 0.16 0.37 0.34 -2.12 0.00 0.00 175.29 174.21 1wo8 s ASP 81 N -3.05 5.93 0.00 5.90 2.15 -1.26 -4.92 116.67 121.42 1wo8 s ASP 81 Ca 0.46 -1.55 0.23 0.00 0.43 0.00 0.00 52.55 52.12 1wo8 s ASP 81 Cb -0.11 -2.10 1.17 0.00 -0.30 0.00 0.00 42.92 41.58 1wo8 s ASP 81 CO 0.29 -0.66 1.74 -0.81 -0.17 0.00 0.00 175.17 175.56 1wo8 n PRO 82 N 5.08 0.37 -0.15 4.34 -0.04 -1.26 -3.15 135.00 140.18 1wo8 n PRO 82 Ca -0.11 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1wo8 n PRO 82 Cb 0.42 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.25 3.24 -4.02 1.53 4.77 -1.26 -4.93 117.00 115.08 1wo8 n LEU 83 Ca 0.11 -1.45 -0.20 0.00 -0.03 0.00 0.00 56.01 54.44 1wo8 n LEU 83 Cb 0.17 -0.20 -0.15 0.00 -2.33 0.00 0.00 43.42 40.90 1wo8 n LEU 83 CO 0.17 0.69 -0.44 -0.89 -1.33 0.00 0.00 177.39 175.59 1wo8 s THR 84 N -1.43 0.80 -0.03 -5.08 2.01 -1.19 -5.14 115.64 105.58 1wo8 s THR 84 Ca 0.34 -0.40 -0.12 0.00 0.31 0.00 0.00 61.69 61.82 1wo8 s THR 84 Cb 0.20 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 1wo8 s THR 84 CO 0.28 0.24 0.32 0.00 -0.69 0.00 0.00 174.62 174.78 1wo8 s ALA 85 N 0.02 3.76 0.07 7.40 0.00 -1.26 -4.91 121.76 126.84 1wo8 s ALA 85 Ca -0.00 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1wo8 s ALA 85 Cb -0.07 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 1wo8 s ALA 85 CO 0.00 0.53 -0.07 -1.59 0.00 0.00 0.00 175.76 174.63 1wo8 s LYS 86 N -1.10 0.68 0.51 0.00 0.00 -1.26 -5.03 119.74 113.53 1wo8 s LYS 86 Ca 0.21 -1.05 0.27 0.00 0.00 0.00 0.00 55.97 55.40 1wo8 s LYS 86 Cb -0.15 -0.23 1.36 0.00 0.00 0.00 0.00 37.83 38.81 1wo8 s LYS 86 CO 0.11 0.01 2.03 -1.00 0.00 0.00 0.00 175.35 176.49 1wo8 h PRO 87 N 3.71 0.00 -0.87 1.78 0.13 -2.00 -2.57 132.00 132.17 1wo8 h PRO 87 Ca -0.35 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.62 1wo8 h PRO 87 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1wo8 h PRO 87 CO 0.53 0.14 0.20 -2.39 -0.23 0.00 0.00 178.00 176.25 1wo8 n HIS 88 N -3.57 1.57 -0.25 1.56 1.44 -1.26 -4.36 115.22 110.35 1wo8 n HIS 88 Ca -0.01 -0.88 -0.03 0.00 -2.01 0.00 0.00 57.72 54.79 1wo8 n HIS 88 Cb 0.27 -0.51 0.14 0.00 0.12 0.00 0.00 29.99 30.01 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 1.52 1.08 -0.68 -1.40 4.57 -1.89 -1.32 114.58 116.47 1wo8 h GLU 89 Ca 0.19 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1wo8 h GLU 89 Cb 1.77 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 30.13 1wo8 h GLU 89 CO 0.49 0.83 0.33 -1.35 -1.18 0.00 0.00 179.01 178.13 1wo8 h PRO 90 N 1.08 0.96 -0.91 0.92 0.11 -1.86 -0.45 132.00 131.85 1wo8 h PRO 90 Ca 0.26 -0.13 0.01 0.00 0.11 0.00 0.00 66.00 66.26 1wo8 h PRO 90 Cb 0.10 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 30.99 1wo8 h PRO 90 CO -0.03 0.74 0.60 -0.44 -0.21 0.00 0.00 178.00 178.66 1wo8 h ASP 91 N 0.96 1.05 0.01 -2.05 5.19 -1.66 0.34 116.42 120.25 1wo8 h ASP 91 Ca 0.24 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1wo8 h ASP 91 Cb 0.09 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.34 1wo8 h ASP 91 CO -0.03 0.76 -0.01 0.58 -3.12 0.00 0.00 179.24 177.42 1wo8 h VAL 92 N 1.23 1.09 -0.57 -1.35 2.07 -0.23 -1.39 116.25 117.10 1wo8 h VAL 92 Ca 0.33 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 1wo8 h VAL 92 Cb -0.14 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1wo8 h VAL 92 CO -0.07 0.08 0.17 1.56 0.02 0.00 0.00 177.57 179.32 1wo8 h GLN 93 N -0.15 0.86 -0.48 1.57 1.08 -0.77 -2.03 115.11 115.18 1wo8 h GLN 93 Ca -0.00 -0.16 -0.07 0.00 -1.45 0.00 0.00 58.65 56.96 1wo8 h GLN 93 Cb 0.14 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1wo8 h GLN 93 CO 0.00 0.75 0.02 0.00 -0.95 0.00 0.00 178.83 178.66 1wo8 h ALA 94 N 1.35 0.65 -0.41 3.87 0.00 -0.79 -0.80 119.26 123.12 1wo8 h ALA 94 Ca 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1wo8 h ALA 94 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1wo8 h ALA 94 CO -0.01 0.43 0.18 1.25 0.00 0.00 0.00 179.25 181.10 1wo8 h LEU 95 N 0.70 0.56 -0.95 0.00 5.85 -0.98 -0.70 115.31 119.78 1wo8 h LEU 95 Ca 0.14 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1wo8 h LEU 95 Cb 0.48 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1wo8 h LEU 95 CO 0.02 0.56 0.10 0.24 -0.34 0.00 0.00 178.44 179.02 1wo8 h MET 96 N 0.52 0.87 -0.27 1.25 2.86 -1.25 -1.46 114.93 117.44 1wo8 h MET 96 Ca 0.14 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1wo8 h MET 96 Cb 0.17 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1wo8 h MET 96 CO -0.01 0.80 0.09 -0.09 1.06 0.00 0.00 176.91 178.76 1wo8 h ARG 97 N 0.83 0.43 -0.19 1.72 2.43 -0.78 -2.05 114.38 116.77 1wo8 h ARG 97 Ca 0.17 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1wo8 h ARG 97 Cb 0.35 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1wo8 h ARG 97 CO 0.01 0.49 -0.15 0.28 -1.51 0.00 0.00 179.97 179.08 1wo8 h VAL 98 N 0.28 1.20 -0.72 0.20 2.07 -0.94 -0.64 116.25 117.71 1wo8 h VAL 98 Ca 0.09 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1wo8 h VAL 98 Cb 0.24 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1wo8 h VAL 98 CO -0.00 0.28 0.34 0.00 0.02 0.00 0.00 177.57 178.22 1wo8 h ASN 100 N 1.00 0.89 -0.90 0.00 2.35 -0.63 0.13 115.58 118.42 1wo8 h ASN 100 Ca 0.25 -0.33 0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1wo8 h ASN 100 Cb 0.12 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.19 1wo8 h ASN 100 CO -0.03 1.01 0.58 0.58 -1.65 0.00 0.00 177.43 177.92 1wo8 h VAL 101 N 0.75 1.12 -0.60 2.81 2.07 -0.81 -2.57 116.25 119.02 1wo8 h VAL 101 Ca 0.13 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1wo8 h VAL 101 Cb 0.59 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1wo8 h VAL 101 CO 0.04 0.20 0.00 1.41 0.02 0.00 0.00 177.57 179.24 1wo8 n HIS 102 N -4.53 1.14 -2.38 1.57 8.25 -0.66 -4.95 115.22 113.64 1wo8 n HIS 102 Ca 0.12 -0.49 -0.20 0.00 -0.26 0.00 0.00 57.72 56.90 1wo8 n HIS 102 Cb 0.12 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 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 1.24 -0.44 3.60 -1.41 0.00 -0.45 -4.96 105.19 102.77 1wo8 n GLY 103 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.98 4.96 0.28 1.61 1.01 0.34 -5.02 120.40 120.60 1wo8 s VAL 104 Ca 0.00 0.86 -0.30 0.00 0.00 0.00 0.00 61.98 62.54 1wo8 s VAL 104 Cb 0.00 -3.98 -0.12 0.00 0.00 0.00 0.00 36.38 32.28 1wo8 s VAL 104 CO 0.00 -0.11 1.58 -0.81 0.00 0.00 0.00 175.10 175.77 1wo8 n PRO 105 N 5.83 2.61 -4.46 2.72 -0.04 -1.26 -4.54 135.00 135.86 1wo8 n PRO 105 Ca -0.01 0.93 -0.25 0.00 -0.04 0.00 0.00 63.50 64.13 1wo8 n PRO 105 Cb 0.49 -2.70 -0.17 0.00 -0.04 0.00 0.00 33.50 31.08 1wo8 n PRO 105 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1wo8 s LEU 106 N -0.21 1.57 -0.18 1.53 2.96 -1.26 -1.32 118.68 121.77 1wo8 s LEU 106 Ca 0.66 -0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 54.22 1wo8 s LEU 106 Cb -0.52 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 1wo8 s LEU 106 CO 0.47 0.01 -0.00 0.00 -1.32 0.00 0.00 176.35 175.50 1wo8 s ALA 107 N 0.86 3.07 -1.41 5.97 0.00 -0.17 -4.99 121.76 125.09 1wo8 s ALA 107 Ca -0.11 -0.89 0.19 0.00 0.00 0.00 0.00 51.96 51.15 1wo8 s ALA 107 Cb -0.15 -1.71 -0.08 0.00 0.00 0.00 0.00 23.12 21.17 1wo8 s ALA 107 CO 0.01 0.03 0.90 0.25 0.00 0.00 0.00 175.76 176.95 1wo8 n THR 108 N 3.88 0.00 -4.04 0.00 -2.24 -1.26 -0.48 114.28 110.14 1wo8 n THR 108 Ca -0.17 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.30 1wo8 n THR 108 Cb 0.52 1.14 -0.07 0.00 -2.10 0.00 0.00 70.33 69.82 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 -2.40 0.04 0.19 3.42 2.20 -1.26 -2.73 114.94 114.41 1wo8 s ASN 109 Ca 0.12 -1.03 -0.13 0.00 -0.94 0.00 0.00 52.86 50.88 1wo8 s ASN 109 Cb 0.15 0.46 0.21 0.00 -2.00 0.00 0.00 41.25 40.07 1wo8 s ASN 109 CO 0.59 -0.95 1.69 0.25 -2.94 0.00 0.00 177.10 175.74 1wo8 h LEU 110 N 2.48 -0.16 -0.64 3.54 5.85 -1.95 -0.59 115.31 123.84 1wo8 h LEU 110 Ca -0.31 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1wo8 h LEU 110 Cb 1.24 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 1wo8 h LEU 110 CO 0.46 -0.05 0.29 0.58 -0.34 0.00 0.00 178.44 179.37 1wo8 h VAL 111 N 0.15 1.23 -0.48 1.05 2.07 -1.99 -0.74 116.25 117.53 1wo8 h VAL 111 Ca 0.26 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1wo8 h VAL 111 Cb 0.39 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1wo8 h VAL 111 CO -0.41 0.27 0.11 0.00 0.02 0.00 0.00 177.57 177.57 1wo8 h ALA 112 N 1.12 1.30 -0.61 1.67 0.00 -1.86 -1.94 119.26 118.95 1wo8 h ALA 112 Ca 0.22 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1wo8 h ALA 112 Cb 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1wo8 h ALA 112 CO -0.02 0.49 0.14 0.00 0.00 0.00 0.00 179.25 179.86 1wo8 h ALA 113 N 1.43 1.11 -0.63 0.00 0.00 -0.38 -0.37 119.26 120.41 1wo8 h ALA 113 Ca 0.16 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1wo8 h ALA 113 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1wo8 h ALA 113 CO -0.00 0.60 0.07 0.93 0.00 0.00 0.00 179.25 180.85 1wo8 h GLU 114 N 0.91 1.05 -0.35 0.00 4.39 -0.44 0.19 114.58 120.33 1wo8 h GLU 114 Ca 0.19 -0.29 -0.12 0.00 0.34 0.00 0.00 59.36 59.49 1wo8 h GLU 114 Cb 0.33 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1wo8 h GLU 114 CO 0.00 0.98 -0.28 0.00 -1.16 0.00 0.00 179.01 178.55 1wo8 h ALA 115 N 1.09 0.85 -0.18 3.43 0.00 -0.91 -2.80 119.26 120.74 1wo8 h ALA 115 Ca 0.19 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1wo8 h ALA 115 Cb 0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wo8 h ALA 115 CO 0.02 0.63 -0.30 1.25 0.00 0.00 0.00 179.25 180.85 1wo8 h LEU 116 N 0.63 0.58 -1.52 0.00 5.85 -0.73 -2.67 115.31 117.45 1wo8 h LEU 116 Ca 0.08 -0.53 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 1wo8 h LEU 116 Cb 0.79 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1wo8 h LEU 116 CO 0.07 1.00 -0.09 -0.29 -0.34 0.00 0.00 178.44 178.78 1wo8 h ILE 117 N 0.18 1.15 -0.36 4.05 6.09 -0.97 -0.20 117.51 127.44 1wo8 h ILE 117 Ca 0.01 -0.63 -0.14 0.00 -1.37 0.00 0.00 64.86 62.74 1wo8 h ILE 117 Cb 0.88 1.15 -0.01 0.00 0.47 0.00 0.00 36.82 39.31 1wo8 h ILE 117 CO 0.07 0.20 -0.32 0.00 -3.07 0.00 0.00 178.15 175.02 1wo8 h ALA 118 N 1.72 0.75 -0.33 0.18 0.00 -1.46 -0.85 119.26 119.28 1wo8 h ALA 118 Ca 0.04 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1wo8 h ALA 118 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1wo8 h ALA 118 CO 0.02 0.66 0.01 2.35 0.00 0.00 0.00 179.25 182.28 1wo8 h TRP 119 N 0.67 0.63 -0.53 0.00 7.01 -0.95 -2.24 115.95 120.55 1wo8 h TRP 119 Ca 0.07 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 60.95 1wo8 h TRP 119 Cb 0.86 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.73 1wo8 h TRP 119 CO 0.05 0.69 0.25 0.82 -2.79 0.00 0.00 178.44 177.46 1wo8 h ILE 120 N 0.39 1.20 -0.49 2.65 2.04 -0.93 -2.78 117.51 119.59 1wo8 h ILE 120 Ca 0.10 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1wo8 h ILE 120 Cb 0.43 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1wo8 h ILE 120 CO 0.02 0.23 0.32 -0.09 0.00 0.00 0.00 178.15 178.62 1wo8 h ARG 121 N 0.71 0.64 0.00 2.37 2.43 -1.06 -1.17 114.38 118.30 1wo8 h ARG 121 Ca 0.18 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1wo8 h ARG 121 Cb 0.13 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1wo8 h ARG 121 CO -0.02 0.42 0.00 1.17 -1.51 0.00 0.00 179.97 180.03 1wo8 n LYS 122 N -4.75 0.15 0.00 0.20 4.81 -0.85 -5.11 118.16 112.61 1wo8 n LYS 122 Ca 0.02 0.52 0.12 0.00 -0.87 0.00 0.00 58.31 58.10 1wo8 n LYS 122 Cb 0.03 -1.87 0.10 0.00 0.02 0.00 0.00 35.03 33.30 1wo8 n LYS 122 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98