#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 3.05 0.37 2.12 1.02 -1.26 -4.84 119.74 120.20 1wo8 s LYS 2 Ca 0.00 1.69 0.01 0.00 0.02 0.00 0.00 55.97 57.69 1wo8 s LYS 2 Cb 0.00 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 1wo8 s LYS 2 CO 0.00 -1.11 0.56 0.00 -0.92 0.00 0.00 175.35 173.89 1wo8 s ALA 3 N -1.77 3.78 -0.23 5.17 0.00 -0.71 -4.36 121.76 123.64 1wo8 s ALA 3 Ca 0.74 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.61 1wo8 s ALA 3 Cb -0.27 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 1wo8 s ALA 3 CO 0.32 -0.11 0.04 -0.51 0.00 0.00 0.00 175.76 175.51 1wo8 s LEU 4 N -4.35 3.37 -0.05 0.00 1.43 -0.28 -0.18 118.68 118.62 1wo8 s LEU 4 Ca 0.42 -0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 53.16 1wo8 s LEU 4 Cb -0.10 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 1wo8 s LEU 4 CO 0.36 -0.00 0.41 0.00 0.23 0.00 0.00 176.35 177.34 1wo8 s ALA 5 N 1.40 3.63 -0.11 4.21 0.00 -0.38 -1.25 121.76 129.26 1wo8 s ALA 5 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1wo8 s ALA 5 Cb -0.15 -2.45 0.02 0.00 0.00 0.00 0.00 23.12 20.55 1wo8 s ALA 5 CO 0.02 0.31 -0.10 -0.51 0.00 0.00 0.00 175.76 175.49 1wo8 s LEU 6 N -0.46 1.37 -0.01 0.00 1.43 0.13 -0.71 118.68 120.43 1wo8 s LEU 6 Ca 0.23 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1wo8 s LEU 6 Cb -0.16 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 45.16 1wo8 s LEU 6 CO 0.11 -0.08 0.01 -0.63 0.23 0.00 0.00 176.35 175.99 1wo8 s ILE 7 N 1.49 0.02 -0.03 -0.59 1.01 -0.01 -3.53 121.20 119.56 1wo8 s ILE 7 Ca 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.73 1wo8 s ILE 7 Cb -0.13 -0.08 0.03 0.00 0.01 0.00 0.00 42.46 42.29 1wo8 s ILE 7 CO -0.07 0.05 0.04 0.00 0.00 0.00 0.00 174.94 174.97 1wo8 s ALA 8 N 0.44 0.05 0.77 9.38 0.00 -1.26 -0.79 121.76 130.36 1wo8 s ALA 8 Ca -0.04 0.34 -0.14 0.00 0.00 0.00 0.00 51.96 52.13 1wo8 s ALA 8 Cb -0.06 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.83 1wo8 s ALA 8 CO -0.01 -0.14 1.19 -1.01 0.00 0.00 0.00 175.76 175.78 1wo8 s HIS 9 N 1.17 1.99 0.24 0.00 3.76 -0.56 -4.67 115.29 117.21 1wo8 s HIS 9 Ca -0.08 1.64 -0.09 0.00 -0.15 0.00 0.00 55.06 56.38 1wo8 s HIS 9 Cb -0.13 -3.42 0.38 0.00 1.11 0.00 0.00 32.58 30.53 1wo8 s HIS 9 CO -0.03 -2.60 1.63 -0.44 -0.85 0.00 0.00 174.74 172.45 1wo8 h ASP 10 N -0.69 -0.45 0.29 1.40 3.32 -2.00 0.34 116.42 118.63 1wo8 h ASP 10 Ca -0.46 0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1wo8 h ASP 10 Cb 1.29 0.38 0.00 0.00 0.22 0.00 0.00 39.33 41.21 1wo8 h ASP 10 CO 0.48 -0.20 0.00 0.00 -1.72 0.00 0.00 179.24 177.80 1wo8 h ALA 11 N 1.71 1.00 -0.24 3.45 0.00 -1.95 -2.46 119.26 120.77 1wo8 h ALA 11 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1wo8 h ALA 11 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1wo8 h ALA 11 CO -0.69 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.19 1wo8 n LYS 12 N -2.73 1.98 -0.22 0.00 4.76 0.11 -4.63 118.16 117.43 1wo8 n LYS 12 Ca -0.01 -1.77 -0.07 0.00 -2.87 0.00 0.00 58.31 53.59 1wo8 n LYS 12 Cb 0.12 -1.28 0.08 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 2.43 1.06 -0.79 1.97 1.57 -0.88 -0.33 116.57 121.60 1wo8 h LYS 13 Ca 0.00 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 1wo8 h LYS 13 Cb 0.67 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1wo8 h LYS 13 CO 0.00 0.96 0.33 -0.44 -0.57 0.00 0.00 179.45 179.73 1wo8 h ASP 14 N 1.00 1.07 -0.81 0.86 3.32 -1.82 -0.91 116.42 119.13 1wo8 h ASP 14 Ca 0.20 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1wo8 h ASP 14 Cb 0.40 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1wo8 h ASP 14 CO 0.01 0.94 0.34 -0.08 -1.72 0.00 0.00 179.24 178.73 1wo8 h GLU 15 N 1.13 1.20 -0.49 3.56 4.81 -1.76 -1.84 114.58 121.20 1wo8 h GLU 15 Ca 0.26 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1wo8 h GLU 15 Cb 0.19 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1wo8 h GLU 15 CO -0.02 0.96 0.04 1.98 -0.73 0.00 0.00 179.01 181.23 1wo8 h MET 16 N 1.17 0.83 -0.55 1.92 4.05 -0.53 -1.57 114.93 120.26 1wo8 h MET 16 Ca 0.27 -0.24 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 1wo8 h MET 16 Cb 0.19 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1wo8 h MET 16 CO -0.03 0.86 0.23 0.28 0.23 0.00 0.00 176.91 178.48 1wo8 h VAL 17 N 0.70 1.22 -0.55 -5.77 2.07 -0.90 -0.90 116.25 112.11 1wo8 h VAL 17 Ca 0.14 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1wo8 h VAL 17 Cb 0.45 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1wo8 h VAL 17 CO 0.02 0.26 0.10 0.00 0.02 0.00 0.00 177.57 177.97 1wo8 h ALA 18 N 1.07 1.14 -0.01 1.67 0.00 -1.24 -1.54 119.26 120.35 1wo8 h ALA 18 Ca 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wo8 h ALA 18 Cb 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1wo8 h ALA 18 CO -0.02 0.57 0.00 0.35 0.00 0.00 0.00 179.25 180.16 1wo8 h PHE 19 N 0.83 0.01 -0.41 0.00 3.57 -0.89 -1.84 116.94 118.22 1wo8 h PHE 19 Ca 0.18 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1wo8 h PHE 19 Cb 0.35 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1wo8 h PHE 19 CO 0.02 0.09 0.07 0.00 -2.23 0.00 0.00 178.31 176.25 1wo8 h LEU 21 N 0.60 1.06 -0.80 0.00 3.38 -1.08 0.10 115.31 118.57 1wo8 h LEU 21 Ca 0.13 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 1wo8 h LEU 21 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1wo8 h LEU 21 CO 0.00 1.09 -0.29 0.03 0.09 0.00 0.00 178.44 179.36 1wo8 h ARG 22 N 1.00 0.57 -0.41 1.13 3.08 -0.89 -3.19 114.38 115.66 1wo8 h ARG 22 Ca 0.18 -0.24 -0.19 0.00 0.07 0.00 0.00 59.98 59.80 1wo8 h ARG 22 Cb 0.53 -0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.45 1wo8 h ARG 22 CO 0.03 0.80 0.01 0.72 -1.07 0.00 0.00 179.97 180.45 1wo8 n HIS 23 N -4.09 1.29 -0.19 3.04 8.25 -0.75 -4.76 115.22 118.00 1wo8 n HIS 23 Ca -0.01 -1.52 0.00 0.00 -0.26 0.00 0.00 57.72 55.93 1wo8 n HIS 23 Cb 0.45 -0.52 0.10 0.00 1.12 0.00 0.00 29.99 31.14 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 1.13 0.19 -0.97 -0.41 3.64 -0.78 -0.88 116.57 118.49 1wo8 h LYS 24 Ca 0.23 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1wo8 h LYS 24 Cb 1.76 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.49 1wo8 h LYS 24 CO 0.44 0.12 0.64 -0.44 -2.27 0.00 0.00 179.45 177.95 1wo8 h ASP 25 N 0.19 1.10 -0.09 4.20 3.32 -1.86 -0.27 116.42 123.00 1wo8 h ASP 25 Ca 0.31 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.24 1wo8 h ASP 25 Cb 0.47 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1wo8 h ASP 25 CO -0.44 0.79 -0.32 0.58 -1.72 0.00 0.00 179.24 178.13 1wo8 h VAL 26 N 1.29 1.40 -0.21 -1.35 2.07 -1.77 -3.23 116.25 114.45 1wo8 h VAL 26 Ca 0.36 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 1wo8 h VAL 26 Cb -0.11 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1wo8 h VAL 26 CO -0.09 0.49 0.03 -0.07 0.02 0.00 0.00 177.57 177.95 1wo8 h LEU 27 N -0.08 0.27 -2.52 2.57 3.38 -0.95 -2.26 115.31 115.71 1wo8 h LEU 27 Ca -0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1wo8 h LEU 27 Cb 0.95 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1wo8 h LEU 27 CO 0.07 0.30 -0.00 0.00 0.09 0.00 0.00 178.44 178.89 1wo8 h ALA 28 N 1.74 1.01 0.00 1.53 0.00 -1.06 -2.10 119.26 120.38 1wo8 h ALA 28 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wo8 h ALA 28 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wo8 h ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1wo8 h ARG 29 N 0.00 0.00 -5.84 0.00 3.08 -1.50 -3.46 114.38 106.66 1wo8 h ARG 29 Ca -0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1wo8 h ARG 29 Cb 0.16 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.03 1wo8 h ARG 29 CO 0.00 0.00 -0.78 0.71 -1.07 0.00 0.00 179.97 178.83 1wo8 s TYR 30 N -3.20 1.74 0.08 3.04 1.51 -0.79 -5.10 117.35 114.63 1wo8 s TYR 30 Ca 0.08 -0.49 -0.31 0.00 -1.01 0.00 0.00 57.07 55.35 1wo8 s TYR 30 Cb 0.11 -0.88 -0.07 0.00 -0.11 0.00 0.00 41.96 41.02 1wo8 s TYR 30 CO 0.54 0.29 1.31 -2.14 -1.11 0.00 0.00 175.55 174.45 1wo8 s PRO 31 N -2.78 4.36 -0.11 -1.71 0.02 -1.26 -4.90 135.00 128.61 1wo8 s PRO 31 Ca 0.14 1.94 -0.05 0.00 0.02 0.00 0.00 61.00 63.05 1wo8 s PRO 31 Cb -0.05 -3.34 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 1wo8 s PRO 31 CO 0.06 -0.39 0.07 -0.51 -0.33 0.00 0.00 177.00 175.90 1wo8 s LEU 32 N 1.29 3.95 -0.05 -5.54 1.43 -1.26 -1.13 118.68 117.37 1wo8 s LEU 32 Ca 0.62 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 54.02 1wo8 s LEU 32 Cb -0.33 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 43.95 1wo8 s LEU 32 CO 0.29 0.36 -0.12 -0.22 0.23 0.00 0.00 176.35 176.90 1wo8 s LEU 33 N -0.77 1.72 0.12 1.79 2.96 -0.38 -0.80 118.68 123.33 1wo8 s LEU 33 Ca 0.13 -0.26 -0.15 0.00 -0.22 0.00 0.00 54.13 53.62 1wo8 s LEU 33 Cb -0.12 -0.74 0.03 0.00 0.50 0.00 0.00 46.19 45.86 1wo8 s LEU 33 CO 0.03 0.06 0.37 0.00 -1.32 0.00 0.00 176.35 175.49 1wo8 s ALA 34 N 0.40 -0.81 0.80 5.97 0.00 -0.23 0.20 121.76 128.09 1wo8 s ALA 34 Ca -0.08 -0.15 -0.11 0.00 0.00 0.00 0.00 51.96 51.62 1wo8 s ALA 34 Cb -0.13 0.67 0.07 0.00 0.00 0.00 0.00 23.12 23.73 1wo8 s ALA 34 CO 0.02 -0.63 1.09 0.95 0.00 0.00 0.00 175.76 177.20 1wo8 s THR 35 N -3.82 3.19 0.02 0.00 -4.23 -1.23 -1.21 115.64 108.36 1wo8 s THR 35 Ca 0.04 0.39 -0.03 0.00 -1.18 0.00 0.00 61.69 60.90 1wo8 s THR 35 Cb 0.02 -2.86 -0.01 0.00 1.34 0.00 0.00 72.50 71.00 1wo8 s THR 35 CO -0.11 -0.51 0.91 0.61 -0.54 0.00 0.00 174.62 174.98 1wo8 n GLY 36 N -1.15 -2.63 0.22 3.99 0.00 -0.50 -1.05 105.19 104.07 1wo8 n GLY 36 Ca 0.09 0.56 -0.15 0.00 0.00 0.00 0.00 46.02 46.52 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 1.30 -0.81 2.61 2.02 -1.88 -2.33 112.91 113.83 1wo8 h THR 37 Ca 0.02 -1.69 0.08 0.00 0.77 0.00 0.00 66.41 65.59 1wo8 h THR 37 Cb 0.04 1.77 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 1wo8 h THR 37 CO -0.09 0.54 0.47 0.74 0.37 0.00 0.00 175.52 177.54 1wo8 h THR 38 N 0.47 0.94 -0.66 3.16 2.02 -1.85 -0.15 112.91 116.84 1wo8 h THR 38 Ca 0.01 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.83 1wo8 h THR 38 Cb 1.09 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1wo8 h THR 38 CO 0.11 0.15 0.11 1.23 0.37 0.00 0.00 175.52 177.48 1wo8 h GLY 39 N 0.80 1.17 0.95 2.16 0.00 -1.03 -1.81 103.07 105.32 1wo8 h GLY 39 Ca 0.38 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1wo8 h GLY 39 CO -0.23 0.72 0.18 0.00 0.00 0.00 0.00 176.54 177.22 1wo8 h ALA 40 N 1.04 0.47 -0.71 3.60 0.00 -0.69 -0.91 119.26 122.06 1wo8 h ALA 40 Ca 0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1wo8 h ALA 40 Cb 0.44 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1wo8 h ALA 40 CO 0.01 0.02 0.30 0.00 0.00 0.00 0.00 179.25 179.58 1wo8 h ARG 41 N 0.46 1.04 -0.23 0.00 2.47 -0.91 -0.06 114.38 117.15 1wo8 h ARG 41 Ca 0.13 -0.17 -0.04 0.00 -1.26 0.00 0.00 59.98 58.64 1wo8 h ARG 41 Cb 0.10 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 1wo8 h ARG 41 CO -0.02 0.84 -0.00 0.82 0.56 0.00 0.00 179.97 182.16 1wo8 h ILE 42 N 1.02 1.26 -0.15 2.04 2.04 -1.05 -2.16 117.51 120.51 1wo8 h ILE 42 Ca 0.24 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 65.21 1wo8 h ILE 42 Cb 0.17 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1wo8 h ILE 42 CO -0.02 0.28 0.06 1.56 0.00 0.00 0.00 178.15 180.02 1wo8 h GLN 43 N 0.17 0.13 -0.91 2.37 4.20 -0.87 -0.15 115.11 120.05 1wo8 h GLN 43 Ca 0.06 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.82 1wo8 h GLN 43 Cb 0.41 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.10 1wo8 h GLN 43 CO 0.01 0.09 0.58 0.93 -0.67 0.00 0.00 178.83 179.77 1wo8 h GLU 44 N 0.13 1.07 0.00 1.46 5.08 -0.96 -0.85 114.58 120.51 1wo8 h GLU 44 Ca 0.06 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1wo8 h GLU 44 Cb 0.03 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1wo8 h GLU 44 CO -0.06 0.71 -1.26 0.00 -1.00 0.00 0.00 179.01 177.40 1wo8 n ALA 45 N -2.36 2.46 -0.00 3.43 0.00 -0.82 -4.61 120.51 118.61 1wo8 n ALA 45 Ca 0.13 -0.35 0.01 0.00 0.00 0.00 0.00 53.44 53.22 1wo8 n ALA 45 Cb 0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.64 0.04 -0.54 0.00 -2.24 -0.08 -5.00 114.28 103.82 1wo8 n THR 46 Ca -0.03 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1wo8 n THR 46 Cb 0.61 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 2.50 1.42 3.76 3.38 0.00 -0.33 -5.00 105.19 110.91 1wo8 n GLY 47 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 3.96 -0.12 0.99 1.43 -1.26 -4.96 118.68 118.72 1wo8 s LEU 48 Ca 0.00 2.62 -0.28 0.00 -1.03 0.00 0.00 54.13 55.43 1wo8 s LEU 48 Cb 0.00 -4.20 -0.01 0.00 0.03 0.00 0.00 46.19 42.01 1wo8 s LEU 48 CO 0.00 -1.26 0.96 0.00 0.23 0.00 0.00 176.35 176.28 1wo8 s ALA 49 N -1.37 3.43 -0.05 4.21 0.00 -1.26 -4.45 121.76 122.27 1wo8 s ALA 49 Ca 0.67 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.93 1wo8 s ALA 49 Cb -0.37 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.40 1wo8 s ALA 49 CO 0.44 -0.60 -0.06 0.08 0.00 0.00 0.00 175.76 175.63 1wo8 s VAL 50 N 2.00 0.63 -0.28 0.00 1.01 -1.26 -4.34 120.40 118.15 1wo8 s VAL 50 Ca 0.46 -0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.98 1wo8 s VAL 50 Cb -0.18 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.58 1wo8 s VAL 50 CO 0.17 0.24 1.01 -0.70 0.00 0.00 0.00 175.10 175.82 1wo8 s GLU 51 N 0.86 4.13 -0.25 2.72 2.12 0.02 -4.95 118.70 123.36 1wo8 s GLU 51 Ca -0.12 1.11 -0.09 0.00 0.36 0.00 0.00 54.97 56.23 1wo8 s GLU 51 Cb -0.15 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 1wo8 s GLU 51 CO 0.01 -0.75 0.13 1.03 -0.54 0.00 0.00 175.26 175.13 1wo8 s ARG 52 N 3.35 3.89 0.00 4.30 0.52 -1.26 -1.06 118.95 128.69 1wo8 s ARG 52 Ca 0.43 -0.36 0.00 0.00 -0.52 0.00 0.00 55.73 55.27 1wo8 s ARG 52 Cb -0.14 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 31.88 1wo8 s ARG 52 CO 0.11 -0.06 0.00 1.33 0.02 0.00 0.00 175.30 176.70 1wo8 n VAL 53 N 4.60 0.00 -1.53 3.52 0.24 -0.35 -4.86 118.33 119.96 1wo8 n VAL 53 Ca -0.15 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.86 1wo8 n VAL 53 Cb 0.52 -1.16 0.13 0.00 -1.47 0.00 0.00 33.84 31.86 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 2.09 0.83 1.34 1.43 -1.26 -1.99 118.68 121.12 1wo8 s LEU 54 Ca 0.00 1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 54.02 1wo8 s LEU 54 Cb 0.00 -3.39 0.09 0.00 0.03 0.00 0.00 46.19 42.93 1wo8 s LEU 54 CO 0.00 -2.48 1.10 -0.94 0.23 0.00 0.00 176.35 174.26 1wo8 s SER 55 N -3.99 3.93 0.14 2.29 1.04 -1.26 -1.42 113.70 114.44 1wo8 s SER 55 Ca 0.63 1.81 -0.18 0.00 0.48 0.00 0.00 55.95 58.70 1wo8 s SER 55 Cb -0.15 -2.45 0.02 0.00 0.10 0.00 0.00 66.02 63.54 1wo8 s SER 55 CO 0.54 -2.40 1.74 1.23 0.98 0.00 0.00 173.24 175.33 1wo8 h GLY 56 N -1.38 0.36 1.49 7.32 0.00 -1.93 0.78 103.07 109.71 1wo8 h GLY 56 Ca -0.45 -0.05 0.07 0.00 0.00 0.00 0.00 47.33 46.90 1wo8 h GLY 56 CO 0.50 0.01 0.19 -2.55 0.00 0.00 0.00 176.54 174.70 1wo8 h PRO 57 N 0.21 0.00 -0.01 4.80 0.11 -1.97 -0.99 132.00 134.14 1wo8 h PRO 57 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1wo8 h PRO 57 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1wo8 h PRO 57 CO -0.15 0.00 -0.07 1.28 -0.21 0.00 0.00 178.00 178.84 1wo8 n LEU 58 N -4.25 1.39 0.00 2.35 4.77 -0.79 -4.91 117.00 115.56 1wo8 n LEU 58 Ca 0.03 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1wo8 n LEU 58 Cb 0.34 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1wo8 n LEU 58 CO 0.33 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1wo8 n GLY 59 N 1.23 1.27 0.33 -0.72 0.00 -0.38 -4.91 105.19 102.01 1wo8 n GLY 59 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 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 0.48 1.57 -0.02 0.00 -0.91 -1.17 103.07 103.02 1wo8 h GLY 60 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 1wo8 h GLY 60 CO 0.00 0.12 -0.06 -0.55 0.00 0.00 0.00 176.54 176.06 1wo8 h ASP 61 N 0.39 0.51 0.45 0.19 3.32 -1.80 -1.59 116.42 117.89 1wo8 h ASP 61 Ca 0.20 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.94 1wo8 h ASP 61 Cb 0.28 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1wo8 h ASP 61 CO -0.05 0.62 -0.82 -0.07 -1.72 0.00 0.00 179.24 177.20 1wo8 h LEU 62 N 0.50 0.34 -0.56 1.55 3.38 -1.55 0.11 115.31 119.08 1wo8 h LEU 62 Ca 0.10 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1wo8 h LEU 62 Cb 0.42 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1wo8 h LEU 62 CO 0.02 1.02 0.19 1.56 0.09 0.00 0.00 178.44 181.32 1wo8 h GLN 63 N 0.17 0.85 -0.28 1.13 4.20 -0.99 0.90 115.11 121.09 1wo8 h GLN 63 Ca -0.04 -0.17 -0.19 0.00 0.06 0.00 0.00 58.65 58.30 1wo8 h GLN 63 Cb 1.42 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1wo8 h GLN 63 CO 0.13 0.76 -0.57 0.82 -0.67 0.00 0.00 178.83 179.30 1wo8 h ILE 64 N 0.77 1.27 -0.56 2.54 2.04 -1.25 -2.84 117.51 119.48 1wo8 h ILE 64 Ca 0.18 -1.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.28 1wo8 h ILE 64 Cb 0.25 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1wo8 h ILE 64 CO -0.01 0.57 0.31 1.23 0.00 0.00 0.00 178.15 180.26 1wo8 h GLY 65 N 0.67 0.82 1.02 5.37 0.00 -0.51 -0.19 103.07 110.25 1wo8 h GLY 65 Ca 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1wo8 h GLY 65 CO 0.13 0.34 0.41 0.00 0.00 0.00 0.00 176.54 177.41 1wo8 h ALA 66 N 1.57 1.02 0.00 3.60 0.00 -0.74 -0.12 119.26 124.59 1wo8 h ALA 66 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wo8 h ALA 66 Cb 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1wo8 h ALA 66 CO -0.03 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.77 1wo8 h ARG 67 N 1.11 0.00 -0.21 0.00 3.08 -0.93 -1.87 114.38 115.55 1wo8 h ARG 67 Ca 0.28 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.29 1wo8 h ARG 67 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1wo8 h ARG 67 CO -0.04 0.00 -0.02 0.28 -1.07 0.00 0.00 179.97 179.12 1wo8 h VAL 68 N 0.00 1.27 -0.15 2.04 2.07 -0.67 -1.75 116.25 119.06 1wo8 h VAL 68 Ca 0.00 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1wo8 h VAL 68 Cb 0.78 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1wo8 h VAL 68 CO 0.00 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.88 1wo8 h ALA 69 N 0.77 1.72 -0.12 1.67 0.00 -0.78 -2.09 119.26 120.44 1wo8 h ALA 69 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wo8 h ALA 69 Cb 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wo8 h ALA 69 CO 0.01 0.21 0.00 0.39 0.00 0.00 0.00 179.25 179.87 1wo8 n GLU 70 N -4.41 1.46 -1.70 0.00 1.02 -0.73 -4.91 120.64 111.38 1wo8 n GLU 70 Ca -0.01 -0.70 -0.06 0.00 -0.02 0.00 0.00 57.16 56.37 1wo8 n GLU 70 Cb 0.16 -1.32 -0.01 0.00 -0.02 0.00 0.00 31.44 30.24 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 0.97 0.45 1.07 0.62 0.00 -0.78 -4.93 105.19 102.59 1wo8 n GLY 71 Ca 0.14 -0.68 0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.16 2.65 -4.56 1.61 5.02 -0.68 -4.92 118.16 115.12 1wo8 n LYS 72 Ca -0.07 -2.36 -0.28 0.00 -2.02 0.00 0.00 58.31 53.58 1wo8 n LYS 72 Cb 0.40 -1.46 -0.17 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.07 1.47 0.02 -0.18 1.01 -1.24 -1.73 120.40 118.67 1wo8 s VAL 73 Ca 0.38 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1wo8 s VAL 73 Cb 0.20 -1.33 -0.30 0.00 0.00 0.00 0.00 36.38 34.96 1wo8 s VAL 73 CO 0.27 0.43 1.05 0.25 0.00 0.00 0.00 175.10 177.10 1wo8 h LEU 74 N 7.25 0.75 -7.00 3.92 5.85 -0.83 -3.46 115.31 121.79 1wo8 h LEU 74 Ca -0.30 -0.85 -0.01 0.00 0.84 0.00 0.00 57.88 57.56 1wo8 h LEU 74 Cb 1.18 -0.24 -0.13 0.00 0.37 0.00 0.00 40.66 41.84 1wo8 h LEU 74 CO 0.48 1.53 0.25 0.00 -0.34 0.00 0.00 178.44 180.36 1wo8 s ALA 75 N -2.85 -1.65 -0.08 1.25 0.00 -1.24 -4.24 121.76 112.94 1wo8 s ALA 75 Ca -0.11 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1wo8 s ALA 75 Cb 0.04 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.89 1wo8 s ALA 75 CO 0.90 -0.71 -0.11 0.08 0.00 0.00 0.00 175.76 175.92 1wo8 s VAL 76 N -3.34 1.12 -0.35 0.00 1.01 -0.44 -1.25 120.40 117.15 1wo8 s VAL 76 Ca 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 1wo8 s VAL 76 Cb -0.01 -1.06 0.05 0.00 0.00 0.00 0.00 36.38 35.37 1wo8 s VAL 76 CO -0.10 0.36 0.12 -0.69 0.00 0.00 0.00 175.10 174.80 1wo8 s VAL 77 N 0.97 3.72 -0.46 2.92 1.01 0.11 -1.11 120.40 127.56 1wo8 s VAL 77 Ca -0.09 -1.28 0.04 0.00 0.00 0.00 0.00 61.98 60.65 1wo8 s VAL 77 Cb -0.15 -3.17 0.12 0.00 0.00 0.00 0.00 36.38 33.18 1wo8 s VAL 77 CO 0.00 -0.26 0.20 0.12 0.00 0.00 0.00 175.10 175.16 1wo8 s PHE 78 N 1.37 3.15 -0.67 5.22 2.19 0.30 -0.83 117.98 128.71 1wo8 s PHE 78 Ca -0.01 -3.01 -0.27 0.00 0.33 0.00 0.00 56.93 53.98 1wo8 s PHE 78 Cb -0.20 -2.71 0.02 0.00 -1.31 0.00 0.00 43.02 38.82 1wo8 s PHE 78 CO 0.02 -0.80 1.38 -0.51 1.83 0.00 0.00 175.22 177.13 1wo8 s LEU 79 N 0.14 3.25 0.37 6.12 1.43 0.03 -4.06 118.68 125.97 1wo8 s LEU 79 Ca 0.15 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 53.03 1wo8 s LEU 79 Cb -0.24 -2.71 -0.06 0.00 0.03 0.00 0.00 46.19 43.21 1wo8 s LEU 79 CO -0.03 -1.85 0.68 -1.10 0.23 0.00 0.00 176.35 174.28 1wo8 s GLN 80 N 5.80 3.69 -0.45 1.70 -0.21 -1.03 -1.50 119.66 127.66 1wo8 s GLN 80 Ca 0.44 0.23 -0.11 0.00 0.02 0.00 0.00 55.36 55.94 1wo8 s GLN 80 Cb -0.09 -2.50 0.09 0.00 1.00 0.00 0.00 33.01 31.51 1wo8 s GLN 80 CO 0.19 0.05 0.32 0.34 -2.12 0.00 0.00 175.29 174.06 1wo8 s ASP 81 N -3.28 5.79 0.00 5.90 2.15 -1.26 -4.90 116.67 121.06 1wo8 s ASP 81 Ca 0.48 -1.55 0.28 0.00 0.43 0.00 0.00 52.55 52.19 1wo8 s ASP 81 Cb -0.10 -2.04 1.57 0.00 -0.30 0.00 0.00 42.92 42.04 1wo8 s ASP 81 CO 0.32 -0.60 2.00 -0.81 -0.17 0.00 0.00 175.17 175.91 1wo8 n PRO 82 N 4.99 0.69 -0.17 4.34 -0.04 -1.26 -3.42 135.00 140.13 1wo8 n PRO 82 Ca -0.10 0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.46 1wo8 n PRO 82 Cb 0.43 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.12 3.08 -4.06 1.53 4.77 -1.26 -4.94 117.00 115.00 1wo8 n LEU 83 Ca 0.18 -1.59 -0.21 0.00 -0.03 0.00 0.00 56.01 54.36 1wo8 n LEU 83 Cb 0.15 -0.22 -0.15 0.00 -2.33 0.00 0.00 43.42 40.86 1wo8 n LEU 83 CO 0.18 0.69 -0.45 -0.89 -1.33 0.00 0.00 177.39 175.59 1wo8 s THR 84 N -1.20 0.94 -0.03 -5.08 2.01 -1.22 -5.13 115.64 105.93 1wo8 s THR 84 Ca 0.31 -0.48 -0.17 0.00 0.31 0.00 0.00 61.69 61.66 1wo8 s THR 84 Cb 0.18 -0.80 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 1wo8 s THR 84 CO 0.24 0.27 0.46 0.00 -0.69 0.00 0.00 174.62 174.90 1wo8 s ALA 85 N -0.11 3.60 0.07 7.40 0.00 -1.26 -4.94 121.76 126.53 1wo8 s ALA 85 Ca 0.02 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 51.84 1wo8 s ALA 85 Cb -0.06 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 1wo8 s ALA 85 CO 0.00 0.30 -0.08 -1.59 0.00 0.00 0.00 175.76 174.38 1wo8 s LYS 86 N -0.48 0.71 0.50 0.00 -2.85 -1.26 -5.03 119.74 111.33 1wo8 s LYS 86 Ca 0.25 -1.02 0.25 0.00 -1.00 0.00 0.00 55.97 54.45 1wo8 s LYS 86 Cb -0.17 -0.36 1.33 0.00 -2.06 0.00 0.00 37.83 36.58 1wo8 s LYS 86 CO 0.13 0.05 2.04 -1.00 0.10 0.00 0.00 175.35 176.67 1wo8 h PRO 87 N 3.85 0.00 -0.88 1.78 0.13 -2.01 -2.70 132.00 132.16 1wo8 h PRO 87 Ca -0.36 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.53 1wo8 h PRO 87 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1wo8 h PRO 87 CO 0.50 0.14 0.30 -2.39 -0.23 0.00 0.00 178.00 176.33 1wo8 n HIS 88 N -3.76 2.02 -0.15 1.56 1.44 -1.26 -4.46 115.22 110.62 1wo8 n HIS 88 Ca -0.02 -1.14 -0.01 0.00 -2.01 0.00 0.00 57.72 54.55 1wo8 n HIS 88 Cb 0.25 -0.64 0.24 0.00 0.12 0.00 0.00 29.99 29.97 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 1.61 0.86 -0.88 -1.40 4.57 -1.91 -1.67 114.58 115.77 1wo8 h GLU 89 Ca 0.30 -0.11 0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1wo8 h GLU 89 Cb 2.10 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 30.48 1wo8 h GLU 89 CO 0.65 0.66 0.58 -1.35 -1.18 0.00 0.00 179.01 178.37 1wo8 h PRO 90 N 0.86 1.12 -0.77 0.92 0.11 -1.87 -0.09 132.00 132.29 1wo8 h PRO 90 Ca 0.22 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 66.27 1wo8 h PRO 90 Cb 0.08 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 30.89 1wo8 h PRO 90 CO -0.03 0.74 0.50 -0.44 -0.21 0.00 0.00 178.00 178.57 1wo8 h ASP 91 N 1.16 0.86 -0.07 -2.05 5.19 -1.72 0.71 116.42 120.49 1wo8 h ASP 91 Ca 0.33 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.73 1wo8 h ASP 91 Cb -0.08 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.22 1wo8 h ASP 91 CO -0.09 0.61 0.04 0.58 -3.12 0.00 0.00 179.24 177.26 1wo8 h VAL 92 N 1.01 1.09 -0.69 -1.35 2.07 -0.38 -1.11 116.25 116.89 1wo8 h VAL 92 Ca 0.29 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 1wo8 h VAL 92 Cb -0.08 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1wo8 h VAL 92 CO -0.08 0.08 0.24 1.56 0.02 0.00 0.00 177.57 179.39 1wo8 h GLN 93 N 0.01 1.04 -0.53 1.57 1.08 -0.70 -1.90 115.11 115.68 1wo8 h GLN 93 Ca 0.03 -0.20 -0.06 0.00 -1.45 0.00 0.00 58.65 56.97 1wo8 h GLN 93 Cb 0.09 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 1wo8 h GLN 93 CO -0.00 0.87 0.09 0.00 -0.95 0.00 0.00 178.83 178.84 1wo8 h ALA 94 N 1.25 0.71 -0.38 3.87 0.00 -0.68 -0.30 119.26 123.73 1wo8 h ALA 94 Ca 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wo8 h ALA 94 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1wo8 h ALA 94 CO -0.01 0.44 0.16 1.25 0.00 0.00 0.00 179.25 181.09 1wo8 h LEU 95 N 0.76 0.51 -0.95 0.00 5.85 -0.96 -1.33 115.31 119.19 1wo8 h LEU 95 Ca 0.16 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1wo8 h LEU 95 Cb 0.39 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1wo8 h LEU 95 CO 0.01 0.52 0.26 0.24 -0.34 0.00 0.00 178.44 179.13 1wo8 h MET 96 N 0.47 1.02 -0.37 1.25 2.86 -1.17 -1.92 114.93 117.07 1wo8 h MET 96 Ca 0.13 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1wo8 h MET 96 Cb 0.16 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1wo8 h MET 96 CO -0.01 0.84 0.13 -0.09 1.06 0.00 0.00 176.91 178.84 1wo8 h ARG 97 N 1.00 0.56 0.00 1.72 2.43 -0.69 -2.34 114.38 117.06 1wo8 h ARG 97 Ca 0.23 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1wo8 h ARG 97 Cb 0.21 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1wo8 h ARG 97 CO -0.02 0.56 -0.29 -0.39 -1.51 0.00 0.00 179.97 178.32 1wo8 h VAL 98 N 0.45 0.97 -0.57 0.20 -1.51 -1.03 -0.13 116.25 114.62 1wo8 h VAL 98 Ca 0.12 -1.09 -0.04 0.00 -1.23 0.00 0.00 66.70 64.46 1wo8 h VAL 98 Cb 0.22 1.63 -0.02 0.00 -2.13 0.00 0.00 31.29 30.98 1wo8 h VAL 98 CO -0.01 0.28 0.18 0.00 -1.23 0.00 0.00 177.57 176.80 1wo8 h ASN 100 N 0.80 0.94 -0.78 0.00 2.35 -0.83 0.17 115.58 118.23 1wo8 h ASN 100 Ca 0.19 -0.41 0.04 0.00 -0.55 0.00 0.00 56.30 55.57 1wo8 h ASN 100 Cb 0.28 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.34 1wo8 h ASN 100 CO -0.01 1.14 0.49 0.58 -1.65 0.00 0.00 177.43 177.98 1wo8 h VAL 101 N 0.74 1.08 -0.68 2.81 2.07 -0.84 -2.84 116.25 118.59 1wo8 h VAL 101 Ca 0.09 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1wo8 h VAL 101 Cb 0.79 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1wo8 h VAL 101 CO 0.07 0.17 0.00 1.41 0.02 0.00 0.00 177.57 179.24 1wo8 n HIS 102 N -4.63 1.42 -2.63 1.57 8.25 -0.61 -4.96 115.22 113.63 1wo8 n HIS 102 Ca 0.10 -0.59 -0.21 0.00 -0.26 0.00 0.00 57.72 56.76 1wo8 n HIS 102 Cb 0.12 -0.20 0.01 0.00 1.12 0.00 0.00 29.99 31.03 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 1.27 -0.49 3.61 -1.41 0.00 -0.40 -4.97 105.19 102.80 1wo8 n GLY 103 Ca 0.26 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.09 5.06 0.31 1.61 1.01 0.46 -5.02 120.40 120.75 1wo8 s VAL 104 Ca 0.12 0.86 -0.29 0.00 0.00 0.00 0.00 61.98 62.66 1wo8 s VAL 104 Cb -0.05 -3.84 -0.11 0.00 0.00 0.00 0.00 36.38 32.38 1wo8 s VAL 104 CO 0.14 0.06 1.54 -2.16 0.00 0.00 0.00 175.10 174.69 1wo8 s PRO 105 N 2.33 4.14 -0.07 2.72 0.04 -1.26 -4.52 135.00 138.37 1wo8 s PRO 105 Ca 0.21 2.54 0.02 0.00 0.04 0.00 0.00 61.00 63.81 1wo8 s PRO 105 Cb -0.16 -3.02 0.01 0.00 0.04 0.00 0.00 34.50 31.38 1wo8 s PRO 105 CO 0.09 -0.57 -0.11 -1.17 0.04 0.00 0.00 177.00 175.28 1wo8 s LEU 106 N -0.91 1.58 -0.17 -3.56 2.96 -1.26 -1.33 118.68 115.99 1wo8 s LEU 106 Ca 0.60 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 54.17 1wo8 s LEU 106 Cb -0.47 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 1wo8 s LEU 106 CO 0.51 0.01 -0.02 0.00 -1.32 0.00 0.00 176.35 175.53 1wo8 s ALA 107 N 0.81 3.02 -1.04 5.97 0.00 -0.27 -5.00 121.76 125.25 1wo8 s ALA 107 Ca -0.12 -0.87 0.17 0.00 0.00 0.00 0.00 51.96 51.14 1wo8 s ALA 107 Cb -0.15 -1.63 -0.13 0.00 0.00 0.00 0.00 23.12 21.20 1wo8 s ALA 107 CO 0.02 0.10 0.78 0.25 0.00 0.00 0.00 175.76 176.91 1wo8 n THR 108 N 3.75 0.00 -4.12 0.00 -2.24 -1.26 -0.54 114.28 109.87 1wo8 n THR 108 Ca -0.17 -0.16 -0.11 0.00 -2.27 0.00 0.00 64.05 61.34 1wo8 n THR 108 Cb 0.52 1.06 -0.08 0.00 -2.10 0.00 0.00 70.33 69.73 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 -2.46 0.08 0.18 3.42 2.20 -1.26 -2.46 114.94 114.63 1wo8 s ASN 109 Ca 0.09 -1.22 -0.14 0.00 -0.94 0.00 0.00 52.86 50.64 1wo8 s ASN 109 Cb 0.13 0.46 0.14 0.00 -2.00 0.00 0.00 41.25 39.99 1wo8 s ASN 109 CO 0.63 -0.96 1.71 0.25 -2.94 0.00 0.00 177.10 175.79 1wo8 h LEU 110 N 2.48 -0.05 -0.83 3.54 5.85 -1.95 -0.95 115.31 123.39 1wo8 h LEU 110 Ca -0.32 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1wo8 h LEU 110 Cb 1.25 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 1wo8 h LEU 110 CO 0.46 0.01 0.43 0.58 -0.34 0.00 0.00 178.44 179.57 1wo8 h VAL 111 N 0.19 1.25 -0.29 1.05 2.07 -1.99 -0.60 116.25 117.93 1wo8 h VAL 111 Ca 0.22 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1wo8 h VAL 111 Cb 0.29 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1wo8 h VAL 111 CO -0.31 0.29 -0.15 0.00 0.02 0.00 0.00 177.57 177.42 1wo8 h ALA 112 N 1.23 1.20 -0.57 1.67 0.00 -1.89 -2.30 119.26 118.60 1wo8 h ALA 112 Ca 0.29 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1wo8 h ALA 112 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1wo8 h ALA 112 CO -0.04 0.51 0.01 0.00 0.00 0.00 0.00 179.25 179.73 1wo8 h ALA 113 N 1.38 0.95 -0.70 0.00 0.00 -0.32 -0.83 119.26 119.74 1wo8 h ALA 113 Ca 0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1wo8 h ALA 113 Cb 0.53 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1wo8 h ALA 113 CO 0.03 0.64 0.26 0.93 0.00 0.00 0.00 179.25 181.11 1wo8 h GLU 114 N 0.90 1.06 -0.59 0.00 4.39 -0.69 -0.05 114.58 119.60 1wo8 h GLU 114 Ca 0.17 -0.21 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 1wo8 h GLU 114 Cb 0.51 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1wo8 h GLU 114 CO 0.02 0.89 -0.01 0.00 -1.16 0.00 0.00 179.01 178.76 1wo8 h ALA 115 N 1.12 0.79 -0.25 3.43 0.00 -1.12 -2.59 119.26 120.65 1wo8 h ALA 115 Ca 0.23 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1wo8 h ALA 115 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1wo8 h ALA 115 CO -0.01 0.64 -0.02 1.25 0.00 0.00 0.00 179.25 181.11 1wo8 h LEU 116 N 0.94 0.44 -1.50 0.00 5.85 -0.80 -2.44 115.31 117.79 1wo8 h LEU 116 Ca 0.17 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1wo8 h LEU 116 Cb 0.57 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1wo8 h LEU 116 CO 0.03 0.67 -0.15 -0.29 -0.34 0.00 0.00 178.44 178.36 1wo8 h ILE 117 N 0.21 1.16 -0.40 4.05 6.09 -1.00 0.12 117.51 127.74 1wo8 h ILE 117 Ca 0.07 -0.70 -0.14 0.00 -1.37 0.00 0.00 64.86 62.71 1wo8 h ILE 117 Cb 0.45 1.25 -0.01 0.00 0.47 0.00 0.00 36.82 38.98 1wo8 h ILE 117 CO 0.02 0.21 -0.31 0.00 -3.07 0.00 0.00 178.15 175.00 1wo8 h ALA 118 N 1.72 0.71 -0.54 0.18 0.00 -1.33 -0.61 119.26 119.38 1wo8 h ALA 118 Ca 0.03 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 1wo8 h ALA 118 Cb 0.34 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1wo8 h ALA 118 CO 0.02 0.67 -0.12 2.35 0.00 0.00 0.00 179.25 182.16 1wo8 h TRP 119 N 0.73 1.16 -0.22 0.00 7.01 -0.83 -2.91 115.95 120.90 1wo8 h TRP 119 Ca 0.08 -0.25 -0.03 0.00 2.11 0.00 0.00 58.89 60.80 1wo8 h TRP 119 Cb 0.87 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.64 1wo8 h TRP 119 CO 0.05 1.07 0.00 0.82 -2.79 0.00 0.00 178.44 177.60 1wo8 h ILE 120 N 0.91 1.25 -0.26 2.65 2.04 -0.86 -2.08 117.51 121.16 1wo8 h ILE 120 Ca 0.14 -0.87 0.06 0.00 1.00 0.00 0.00 64.86 65.18 1wo8 h ILE 120 Cb 0.70 1.40 -0.08 0.00 -0.74 0.00 0.00 36.82 38.09 1wo8 h ILE 120 CO 0.05 0.27 -0.40 -0.09 0.00 0.00 0.00 178.15 177.98 1wo8 h ARG 121 N 0.15 -0.38 -0.00 2.37 2.43 -1.01 -2.20 114.38 115.74 1wo8 h ARG 121 Ca 0.06 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1wo8 h ARG 121 Cb 0.39 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1wo8 h ARG 121 CO 0.01 -0.25 -0.36 0.36 -1.51 0.00 0.00 179.97 178.22 1wo8 n LYS 122 N -5.42 0.05 0.00 0.20 2.85 -1.11 -5.11 118.16 109.62 1wo8 n LYS 122 Ca -0.02 -0.02 0.14 0.00 -1.05 0.00 0.00 58.31 57.36 1wo8 n LYS 122 Cb 0.35 -1.50 0.84 0.00 -0.65 0.00 0.00 35.03 34.08 1wo8 n LYS 122 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76