#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ai9 s LEU 1 N 0.00 4.48 0.43 3.17 1.43 -1.26 -5.04 118.68 121.88 2ai9 s LEU 1 Ca 0.00 1.94 0.03 0.00 -1.03 0.00 0.00 54.13 55.07 2ai9 s LEU 1 Cb 0.00 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 2ai9 s LEU 1 CO 0.00 -0.18 0.11 0.42 0.23 0.00 0.00 176.35 176.93 2ai9 s THR 2 N 0.05 0.67 0.63 5.49 -4.23 -1.26 -4.86 115.64 112.13 2ai9 s THR 2 Ca 0.49 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.37 2ai9 s THR 2 Cb -0.26 -2.31 0.36 0.00 1.34 0.00 0.00 72.50 71.63 2ai9 s THR 2 CO 0.32 0.00 2.11 0.24 -0.54 0.00 0.00 174.62 176.75 2ai9 h MET 3 N 1.71 0.00 0.00 3.99 2.86 -1.93 0.39 114.93 121.95 2ai9 h MET 3 Ca -0.36 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.27 2ai9 h MET 3 Cb 1.28 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 2ai9 h MET 3 CO 0.59 0.00 -0.03 0.87 1.06 0.00 0.00 176.91 179.40 2ai9 h LYS 4 N 0.00 0.00 0.00 1.72 1.79 -1.95 -2.64 116.57 115.49 2ai9 h LYS 4 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2ai9 h LYS 4 Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2ai9 h LYS 4 CO 0.00 0.03 -0.55 -0.25 -1.08 0.00 0.00 179.45 177.60 2ai9 n ASP 5 N -3.16 0.54 -4.58 0.86 9.92 0.13 -4.82 116.55 115.45 2ai9 n ASP 5 Ca -0.00 -0.30 -0.42 0.00 -0.53 0.00 0.00 54.79 53.53 2ai9 n ASP 5 Cb 0.26 0.31 -0.05 0.00 -0.64 0.00 0.00 41.12 41.01 2ai9 n ASP 5 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2ai9 s ILE 6 N -3.01 4.71 0.41 0.53 1.01 -1.00 -4.26 121.20 119.59 2ai9 s ILE 6 Ca 0.11 0.78 -0.23 0.00 0.00 0.00 0.00 60.65 61.31 2ai9 s ILE 6 Cb 0.17 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.31 2ai9 s ILE 6 CO 0.71 -0.50 0.99 0.27 0.00 0.00 0.00 174.94 176.41 2ai9 s ILE 7 N 3.15 4.10 0.37 2.92 -4.36 -0.63 -5.01 121.20 121.73 2ai9 s ILE 7 Ca 0.31 1.47 0.07 0.00 -0.26 0.00 0.00 60.65 62.25 2ai9 s ILE 7 Cb -0.13 -3.69 -0.01 0.00 1.25 0.00 0.00 42.46 39.87 2ai9 s ILE 7 CO 0.18 -0.12 0.41 -0.13 0.24 0.00 0.00 174.94 175.52 2ai9 s ARG 8 N -2.76 2.80 0.08 0.37 1.81 -1.26 -4.58 118.95 115.40 2ai9 s ARG 8 Ca 0.59 -1.27 -0.36 0.00 -1.72 0.00 0.00 55.73 52.97 2ai9 s ARG 8 Cb -0.15 -2.59 -0.16 0.00 -0.45 0.00 0.00 34.95 31.60 2ai9 s ARG 8 CO 0.20 -0.05 1.45 -3.47 -0.68 0.00 0.00 175.30 172.76 2ai9 n ASP 9 N -1.57 2.18 0.00 0.23 -0.08 0.33 -2.21 116.55 115.43 2ai9 n ASP 9 Ca 0.02 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.40 2ai9 n ASP 9 Cb 0.60 -1.26 0.00 0.00 2.34 0.00 0.00 41.12 42.79 2ai9 n ASP 9 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ai9 n GLY 10 N 2.96 1.23 3.73 0.27 0.00 -1.26 -5.06 105.19 107.05 2ai9 n GLY 10 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2ai9 n GLY 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ai9 s HIS 11 N -1.27 3.39 0.42 1.61 5.65 -0.94 -4.93 115.29 119.22 2ai9 s HIS 11 Ca 0.00 1.31 0.15 0.00 0.25 0.00 0.00 55.06 56.77 2ai9 s HIS 11 Cb 0.00 -3.48 1.02 0.00 -1.18 0.00 0.00 32.58 28.95 2ai9 s HIS 11 CO 0.00 -1.44 1.91 -1.35 -0.65 0.00 0.00 174.74 173.21 2ai9 h PRO 12 N 5.91 0.44 -0.26 2.88 0.11 -1.98 -2.79 132.00 136.31 2ai9 h PRO 12 Ca -0.43 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.66 2ai9 h PRO 12 Cb 1.21 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2ai9 h PRO 12 CO 0.78 0.29 0.17 1.15 -0.21 0.00 0.00 178.00 180.18 2ai9 h THR 13 N 0.45 1.06 0.00 -1.15 2.02 -1.92 -1.47 112.91 111.90 2ai9 h THR 13 Ca 0.38 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.44 2ai9 h THR 13 Cb 0.83 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2ai9 h THR 13 CO -0.13 0.06 0.00 0.18 0.37 0.00 0.00 175.52 176.00 2ai9 n LEU 14 N -4.50 0.43 -0.41 2.58 4.77 -1.05 -2.80 117.00 116.02 2ai9 n LEU 14 Ca 0.01 0.60 0.05 0.00 -0.03 0.00 0.00 56.01 56.64 2ai9 n LEU 14 Cb 0.08 -0.54 0.05 0.00 -2.33 0.00 0.00 43.42 40.68 2ai9 n LEU 14 CO 0.35 -0.43 0.43 0.54 -1.33 0.00 0.00 177.39 176.95 2ai9 n ARG 15 N -1.97 0.62 -2.24 3.23 3.00 -0.57 -4.19 116.66 114.54 2ai9 n ARG 15 Ca 0.03 -1.18 -0.27 0.00 -0.01 0.00 0.00 57.85 56.42 2ai9 n ARG 15 Cb 0.22 -1.19 0.14 0.00 0.00 0.00 0.00 32.46 31.63 2ai9 n ARG 15 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2ai9 s GLN 16 N -0.84 1.20 -0.36 5.56 -0.21 -1.10 -4.57 119.66 119.35 2ai9 s GLN 16 Ca 0.12 -0.71 -0.09 0.00 0.02 0.00 0.00 55.36 54.71 2ai9 s GLN 16 Cb 0.08 -2.08 0.03 0.00 1.00 0.00 0.00 33.01 32.05 2ai9 s GLN 16 CO 0.12 -1.91 0.17 0.21 -2.12 0.00 0.00 175.29 171.76 2ai9 s LYS 17 N -5.52 2.73 0.43 2.91 2.20 -1.26 -2.35 119.74 118.88 2ai9 s LYS 17 Ca 0.70 -1.13 -0.23 0.00 -0.36 0.00 0.00 55.97 54.94 2ai9 s LYS 17 Cb -0.05 -3.63 -0.11 0.00 -1.51 0.00 0.00 37.83 32.53 2ai9 s LYS 17 CO 0.49 -0.69 0.77 0.00 -0.36 0.00 0.00 175.35 175.55 2ai9 n ALA 18 N 4.92 -0.70 -2.00 3.13 0.00 -0.09 -4.95 120.51 120.82 2ai9 n ALA 18 Ca -0.12 0.19 -0.39 0.00 0.00 0.00 0.00 53.44 53.12 2ai9 n ALA 18 Cb 0.45 -1.92 -0.06 0.00 0.00 0.00 0.00 19.45 17.92 2ai9 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ai9 s ALA 19 N -1.38 3.45 0.65 0.00 0.00 0.13 -4.65 121.76 119.96 2ai9 s ALA 19 Ca 0.64 0.33 -0.17 0.00 0.00 0.00 0.00 51.96 52.76 2ai9 s ALA 19 Cb -0.58 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 2ai9 s ALA 19 CO 0.57 0.30 1.21 -1.21 0.00 0.00 0.00 175.76 176.62 2ai9 s GLU 20 N -1.26 2.64 -0.03 0.00 2.02 -1.26 -1.11 118.70 119.70 2ai9 s GLU 20 Ca 0.36 1.79 -0.11 0.00 0.02 0.00 0.00 54.97 57.03 2ai9 s GLU 20 Cb -0.22 -1.89 -0.05 0.00 0.10 0.00 0.00 34.13 32.07 2ai9 s GLU 20 CO 0.25 -1.46 0.31 -0.51 0.02 0.00 0.00 175.26 173.87 2ai9 s LEU 21 N -4.53 4.43 -0.08 1.80 1.02 -1.26 -4.83 118.68 115.23 2ai9 s LEU 21 Ca 0.76 0.76 -0.18 0.00 0.02 0.00 0.00 54.13 55.49 2ai9 s LEU 21 Cb -0.30 -2.45 -0.05 0.00 0.02 0.00 0.00 46.19 43.41 2ai9 s LEU 21 CO 0.38 0.34 0.49 -0.70 0.02 0.00 0.00 176.35 176.88 2ai9 s GLU 22 N -1.17 4.27 -0.00 1.70 2.56 -1.26 -4.95 118.70 119.84 2ai9 s GLU 22 Ca 0.22 0.50 -0.13 0.00 0.00 0.00 0.00 54.97 55.56 2ai9 s GLU 22 Cb -0.15 -3.38 -0.05 0.00 2.00 0.00 0.00 34.13 32.55 2ai9 s GLU 22 CO 0.11 0.29 0.37 -0.51 -0.56 0.00 0.00 175.26 174.95 2ai9 s LEU 23 N 0.18 4.44 0.62 2.70 2.01 -1.26 -3.76 118.68 123.61 2ai9 s LEU 23 Ca 0.27 0.86 -0.11 0.00 0.01 0.00 0.00 54.13 55.15 2ai9 s LEU 23 Cb -0.16 -2.59 -0.03 0.00 0.01 0.00 0.00 46.19 43.42 2ai9 s LEU 23 CO 0.12 0.31 1.03 -2.16 1.01 0.00 0.00 176.35 176.66 2ai9 s PRO 24 N -1.24 3.52 0.62 1.29 0.04 -1.26 -5.14 135.00 132.83 2ai9 s PRO 24 Ca 0.24 0.70 -0.16 0.00 0.04 0.00 0.00 61.00 61.82 2ai9 s PRO 24 Cb -0.15 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 2ai9 s PRO 24 CO 0.13 -0.61 1.12 -0.51 0.04 0.00 0.00 177.00 177.17 2ai9 s LEU 25 N -5.19 3.50 0.85 -3.56 1.43 -1.25 -5.02 118.68 109.45 2ai9 s LEU 25 Ca 0.55 2.05 -0.12 0.00 -1.03 0.00 0.00 54.13 55.58 2ai9 s LEU 25 Cb -0.11 -4.56 0.10 0.00 0.03 0.00 0.00 46.19 41.65 2ai9 s LEU 25 CO 0.53 -1.50 1.13 0.42 0.23 0.00 0.00 176.35 177.17 2ai9 s THR 26 N -2.17 2.39 0.19 5.49 -4.23 -1.26 -4.87 115.64 111.18 2ai9 s THR 26 Ca 0.69 0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 61.21 2ai9 s THR 26 Cb -0.21 -2.94 0.10 0.00 1.34 0.00 0.00 72.50 70.78 2ai9 s THR 26 CO 0.37 -0.16 1.81 0.50 -0.54 0.00 0.00 174.62 176.60 2ai9 h LYS 27 N -1.24 0.62 -0.45 3.99 1.63 -2.00 -2.30 116.57 116.82 2ai9 h LYS 27 Ca -0.48 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.26 2ai9 h LYS 27 Cb 1.31 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.78 2ai9 h LYS 27 CO 0.62 0.41 0.19 1.49 -3.45 0.00 0.00 179.45 178.72 2ai9 h GLU 28 N 0.64 0.64 -0.11 1.90 4.81 -1.99 -2.07 114.58 118.39 2ai9 h GLU 28 Ca 0.25 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 2ai9 h GLU 28 Cb 0.09 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2ai9 h GLU 28 CO -0.13 0.52 -0.49 0.93 -0.73 0.00 0.00 179.01 179.11 2ai9 h GLU 29 N 0.64 0.29 -0.26 1.92 5.08 -1.78 -0.61 114.58 119.86 2ai9 h GLU 29 Ca 0.16 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2ai9 h GLU 29 Cb 0.11 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2ai9 h GLU 29 CO -0.02 0.72 -0.35 0.87 -1.00 0.00 0.00 179.01 179.23 2ai9 h LYS 30 N 0.23 0.69 -0.66 2.33 1.57 -1.07 -1.52 116.57 118.14 2ai9 h LYS 30 Ca 0.01 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 2ai9 h LYS 30 Cb 0.95 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 2ai9 h LYS 30 CO 0.08 1.02 0.39 0.93 -0.57 0.00 0.00 179.45 181.30 2ai9 h GLU 31 N 0.42 0.90 0.19 3.15 5.08 -1.25 0.67 114.58 123.73 2ai9 h GLU 31 Ca 0.03 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2ai9 h GLU 31 Cb 0.93 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2ai9 h GLU 31 CO 0.08 0.65 -0.09 1.15 -1.00 0.00 0.00 179.01 179.80 2ai9 h THR 32 N 0.90 0.83 -0.64 1.13 2.02 -0.99 0.37 112.91 116.53 2ai9 h THR 32 Ca 0.24 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.38 2ai9 h THR 32 Cb -0.01 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 2ai9 h THR 32 CO -0.04 0.02 0.40 0.25 0.37 0.00 0.00 175.52 176.51 2ai9 h LEU 33 N -0.29 0.65 -0.97 2.58 5.85 -0.97 0.54 115.31 122.70 2ai9 h LEU 33 Ca -0.03 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2ai9 h LEU 33 Cb 0.22 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2ai9 h LEU 33 CO 0.04 0.46 0.46 0.40 -0.34 0.00 0.00 178.44 179.46 2ai9 h ILE 34 N 0.78 1.25 0.00 4.05 2.04 -0.66 -1.97 117.51 123.00 2ai9 h ILE 34 Ca 0.25 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 65.38 2ai9 h ILE 34 Cb 0.01 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 2ai9 h ILE 34 CO -0.10 0.28 -0.50 0.00 0.00 0.00 0.00 178.15 177.84 2ai9 h ALA 35 N 1.31 1.09 -0.48 1.87 0.00 -0.00 -1.01 119.26 122.04 2ai9 h ALA 35 Ca 0.30 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2ai9 h ALA 35 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2ai9 h ALA 35 CO -0.05 0.62 0.10 0.52 0.00 0.00 0.00 179.25 180.44 2ai9 h MET 36 N 0.00 0.78 -0.38 0.00 2.86 -0.20 -1.08 114.93 116.91 2ai9 h MET 36 Ca -0.00 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.37 2ai9 h MET 36 Cb 0.93 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 2ai9 h MET 36 CO 0.06 0.78 -0.02 -0.09 1.06 0.00 0.00 176.91 178.70 2ai9 h ARG 37 N 0.66 0.67 -0.08 1.72 2.43 -1.13 -2.67 114.38 115.99 2ai9 h ARG 37 Ca 0.15 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2ai9 h ARG 37 Cb 0.36 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2ai9 h ARG 37 CO 0.01 0.79 0.06 1.49 -1.51 0.00 0.00 179.97 180.80 2ai9 h GLU 38 N 0.49 0.00 -0.35 0.20 4.57 -0.97 -0.25 114.58 118.27 2ai9 h GLU 38 Ca 0.10 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.22 2ai9 h GLU 38 Cb 0.49 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 2ai9 h GLU 38 CO 0.02 0.00 -0.04 0.35 -1.18 0.00 0.00 179.01 178.16 2ai9 h PHE 39 N 0.00 0.72 -0.81 0.92 3.57 -0.85 -0.63 116.94 119.85 2ai9 h PHE 39 Ca 0.04 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.36 2ai9 h PHE 39 Cb 0.16 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 2ai9 h PHE 39 CO 0.00 0.78 0.34 -0.07 -2.23 0.00 0.00 178.31 177.13 2ai9 h LEU 40 N 0.45 1.10 0.26 0.59 3.38 -0.90 0.42 115.31 120.61 2ai9 h LEU 40 Ca 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2ai9 h LEU 40 Cb 0.52 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2ai9 h LEU 40 CO 0.03 0.96 -0.12 0.58 0.09 0.00 0.00 178.44 179.97 2ai9 h VAL 41 N 1.17 0.76 -0.82 1.22 2.07 -1.16 -2.50 116.25 116.98 2ai9 h VAL 41 Ca 0.27 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.73 2ai9 h VAL 41 Cb 0.19 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 2ai9 h VAL 41 CO -0.03 0.03 0.50 0.78 0.02 0.00 0.00 177.57 178.87 2ai9 h ASN 42 N -0.41 0.78 0.54 0.57 2.35 -0.86 -1.60 115.58 116.95 2ai9 h ASN 42 Ca -0.04 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2ai9 h ASN 42 Cb 0.31 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2ai9 h ASN 42 CO 0.06 0.50 0.00 0.77 -1.65 0.00 0.00 177.43 177.11 2ai9 h SER 43 N 0.91 0.00 0.01 5.81 4.64 -0.66 -2.04 113.55 122.22 2ai9 h SER 43 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2ai9 h SER 43 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2ai9 h SER 43 CO -0.18 0.00 -1.12 0.00 -0.87 0.00 0.00 176.83 174.66 2ai9 n GLN 44 N -2.59 0.08 -2.85 4.77 6.02 -0.65 -3.76 117.38 118.40 2ai9 n GLN 44 Ca 0.00 -0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.54 2ai9 n GLN 44 Cb 0.18 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.90 2ai9 n GLN 44 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2ai9 s ASP 45 N -3.19 6.55 0.23 1.08 3.68 -0.77 -4.94 116.67 119.31 2ai9 s ASP 45 Ca 0.06 0.27 -0.08 0.00 2.13 0.00 0.00 52.55 54.94 2ai9 s ASP 45 Cb 0.16 -2.44 0.37 0.00 -1.45 0.00 0.00 42.92 39.56 2ai9 s ASP 45 CO 0.87 -0.93 1.70 -0.08 0.13 0.00 0.00 175.17 176.87 2ai9 h GLU 46 N 8.80 0.28 0.00 4.34 4.81 -1.87 0.23 114.58 131.16 2ai9 h GLU 46 Ca -0.24 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2ai9 h GLU 46 Cb 1.08 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.40 2ai9 h GLU 46 CO 0.99 0.18 0.00 -1.91 -0.73 0.00 0.00 179.01 177.54 2ai9 n GLU 47 N -5.12 0.00 -0.23 1.92 4.07 -1.26 -1.48 120.64 118.53 2ai9 n GLU 47 Ca 0.11 0.49 0.02 0.00 -0.06 0.00 0.00 57.16 57.73 2ai9 n GLU 47 Cb 0.38 -1.43 0.15 0.00 -0.06 0.00 0.00 31.44 30.47 2ai9 n GLU 47 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 2ai9 h ILE 48 N 0.00 0.75 -0.70 6.31 2.04 -1.83 -1.69 117.51 122.39 2ai9 h ILE 48 Ca 0.00 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.74 2ai9 h ILE 48 Cb 0.00 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.26 2ai9 h ILE 48 CO 0.00 0.09 0.42 0.00 0.00 0.00 0.00 178.15 178.66 2ai9 h ALA 49 N 1.47 0.93 -0.44 1.87 0.00 -0.52 -1.99 119.26 120.59 2ai9 h ALA 49 Ca 0.36 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 2ai9 h ALA 49 Cb 0.47 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2ai9 h ALA 49 CO -0.33 0.15 -0.14 0.87 0.00 0.00 0.00 179.25 179.79 2ai9 h LYS 50 N 0.79 0.82 -0.43 0.00 1.57 -0.42 0.34 116.57 119.24 2ai9 h LYS 50 Ca 0.30 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2ai9 h LYS 50 Cb 0.11 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2ai9 h LYS 50 CO -0.15 0.91 0.17 0.00 -0.57 0.00 0.00 179.45 179.82 2ai9 h ARG 51 N 0.73 0.65 -0.02 3.15 3.08 -0.78 -3.03 114.38 118.16 2ai9 h ARG 51 Ca 0.12 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ai9 h ARG 51 Cb 0.65 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2ai9 h ARG 51 CO 0.05 0.60 -0.16 0.66 -1.07 0.00 0.00 179.97 180.05 2ai9 n TYR 52 N -4.61 0.00 -2.45 3.04 4.02 -0.80 -4.95 117.16 111.41 2ai9 n TYR 52 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 2ai9 n TYR 52 Cb 0.15 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 2ai9 n TYR 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ai9 n GLY 53 N 1.31 -0.18 3.73 2.72 0.00 0.88 -4.72 105.19 108.93 2ai9 n GLY 53 Ca 0.14 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2ai9 n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ai9 s LEU 54 N -4.23 4.49 -0.02 0.99 1.43 0.55 -4.97 118.68 116.92 2ai9 s LEU 54 Ca 0.07 2.00 -0.26 0.00 -1.03 0.00 0.00 54.13 54.91 2ai9 s LEU 54 Cb -0.03 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 2ai9 s LEU 54 CO 0.09 -0.18 0.82 -0.13 0.23 0.00 0.00 176.35 177.19 2ai9 s ARG 55 N -0.23 4.50 0.26 1.70 0.52 -1.26 -4.71 118.95 119.73 2ai9 s ARG 55 Ca 0.49 1.13 -0.31 0.00 -0.52 0.00 0.00 55.73 56.52 2ai9 s ARG 55 Cb -0.28 -3.44 -0.13 0.00 0.52 0.00 0.00 34.95 31.62 2ai9 s ARG 55 CO 0.33 0.04 1.45 0.45 0.02 0.00 0.00 175.30 177.59 2ai9 n SER 56 N 3.71 3.04 -3.51 0.23 2.88 -1.25 -4.88 113.62 113.84 2ai9 n SER 56 Ca 0.02 1.15 -0.13 0.00 -1.33 0.00 0.00 58.87 58.58 2ai9 n SER 56 Cb 0.51 -1.47 -0.04 0.00 -0.75 0.00 0.00 64.21 62.46 2ai9 n SER 56 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ai9 s GLY 57 N 0.31 -0.50 0.00 0.46 0.00 -1.26 -5.05 107.32 101.28 2ai9 s GLY 57 Ca 0.66 0.50 0.07 0.00 0.00 0.00 0.00 44.72 45.95 2ai9 s GLY 57 CO 0.50 0.19 0.96 3.33 0.00 0.00 0.00 173.10 178.08 2ai9 n VAL 58 N 0.01 0.53 -3.64 1.40 0.24 -1.26 -4.82 118.33 110.78 2ai9 n VAL 58 Ca -0.17 -0.77 -0.15 0.00 -2.04 0.00 0.00 64.34 61.21 2ai9 n VAL 58 Cb 0.63 0.80 -0.08 0.00 -1.47 0.00 0.00 33.84 33.72 2ai9 n VAL 58 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2ai9 s GLY 59 N -0.81 -0.43 -0.13 7.63 0.00 -1.26 -0.13 107.32 112.20 2ai9 s GLY 59 Ca 0.12 1.32 -0.07 0.00 0.00 0.00 0.00 44.72 46.09 2ai9 s GLY 59 CO 0.09 1.06 0.30 -2.27 0.00 0.00 0.00 173.10 172.28 2ai9 s LEU 60 N -0.42 0.29 0.09 0.66 2.96 -0.62 -5.00 118.68 116.63 2ai9 s LEU 60 Ca -0.06 0.65 0.02 0.00 -0.22 0.00 0.00 54.13 54.52 2ai9 s LEU 60 Cb -0.03 0.95 -0.04 0.00 0.50 0.00 0.00 46.19 47.57 2ai9 s LEU 60 CO 0.04 -0.17 0.14 0.00 -1.32 0.00 0.00 176.35 175.04 2ai9 s ALA 61 N 1.22 3.73 0.33 5.97 0.00 -1.26 -1.38 121.76 130.37 2ai9 s ALA 61 Ca -0.09 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 50.93 2ai9 s ALA 61 Cb -0.09 -1.57 0.65 0.00 0.00 0.00 0.00 23.12 22.11 2ai9 s ALA 61 CO -0.09 0.73 1.91 0.00 0.00 0.00 0.00 175.76 178.31 2ai9 h ALA 62 N 3.03 1.63 0.00 0.00 0.00 -1.65 -1.31 119.26 120.96 2ai9 h ALA 62 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2ai9 h ALA 62 Cb 1.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2ai9 h ALA 62 CO 0.69 0.21 0.04 -1.35 0.00 0.00 0.00 179.25 178.84 2ai9 h PRO 63 N 0.88 0.00 0.00 0.00 0.11 -1.67 -1.17 132.00 130.14 2ai9 h PRO 63 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2ai9 h PRO 63 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 2ai9 h PRO 63 CO -0.15 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 179.60 2ai9 h GLN 64 N 0.00 0.00 -0.33 1.05 4.20 -1.53 -2.80 115.11 115.70 2ai9 h GLN 64 Ca 0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 2ai9 h GLN 64 Cb 0.08 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.74 2ai9 h GLN 64 CO 0.00 0.00 -0.18 0.44 -0.67 0.00 0.00 178.83 178.42 2ai9 n ILE 65 N -2.82 2.53 -3.53 2.54 -5.35 -0.50 -1.61 119.36 110.61 2ai9 n ILE 65 Ca 0.03 -2.96 -0.22 0.00 -0.27 0.00 0.00 62.75 59.33 2ai9 n ILE 65 Cb 0.42 -0.38 0.08 0.00 -1.74 0.00 0.00 39.64 38.02 2ai9 n ILE 65 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2ai9 n ASN 66 N -1.10 -5.92 -3.83 7.28 4.05 -1.05 -4.96 115.26 109.73 2ai9 n ASN 66 Ca 0.32 -0.52 -0.30 0.00 0.45 0.00 0.00 54.58 54.54 2ai9 n ASN 66 Cb 0.97 -4.80 -0.15 0.00 1.23 0.00 0.00 39.78 37.03 2ai9 n ASN 66 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2ai9 s ILE 67 N -3.31 1.40 -0.96 -1.44 1.01 -0.84 -5.00 121.20 112.07 2ai9 s ILE 67 Ca 0.52 -1.81 -0.10 0.00 0.00 0.00 0.00 60.65 59.27 2ai9 s ILE 67 Cb -0.23 -2.04 -0.07 0.00 0.01 0.00 0.00 42.46 40.12 2ai9 s ILE 67 CO 0.69 -0.67 2.14 -0.24 0.00 0.00 0.00 174.94 176.87 2ai9 n SER 68 N 4.55 4.71 -4.13 3.58 2.88 -1.26 -2.26 113.62 121.68 2ai9 n SER 68 Ca 0.01 -2.43 -0.21 0.00 -1.33 0.00 0.00 58.87 54.91 2ai9 n SER 68 Cb 0.41 -1.16 -0.14 0.00 -0.75 0.00 0.00 64.21 62.58 2ai9 n SER 68 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2ai9 s LYS 69 N 3.62 0.98 -1.39 -1.46 1.02 -1.26 0.21 119.74 121.46 2ai9 s LYS 69 Ca 0.46 -0.70 -0.15 0.00 0.02 0.00 0.00 55.97 55.60 2ai9 s LYS 69 Cb 0.12 -0.98 0.03 0.00 -0.52 0.00 0.00 37.83 36.47 2ai9 s LYS 69 CO -0.01 0.25 2.15 0.54 -0.92 0.00 0.00 175.35 177.37 2ai9 n ARG 70 N 2.10 2.78 -4.30 1.68 1.74 -0.26 -4.45 116.66 115.95 2ai9 n ARG 70 Ca -0.17 -2.62 -0.19 0.00 -0.77 0.00 0.00 57.85 54.10 2ai9 n ARG 70 Cb 0.55 -3.29 -0.13 0.00 -1.02 0.00 0.00 32.46 28.57 2ai9 n ARG 70 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2ai9 s MET 71 N 3.46 0.87 0.04 5.56 -1.94 -1.26 0.14 119.30 126.17 2ai9 s MET 71 Ca 0.49 -0.76 -0.11 0.00 -1.71 0.00 0.00 55.69 53.60 2ai9 s MET 71 Cb 0.13 -0.86 0.01 0.00 2.01 0.00 0.00 34.83 36.12 2ai9 s MET 71 CO -0.06 0.21 0.23 0.96 -0.01 0.00 0.00 175.02 176.35 2ai9 s ILE 72 N -0.91 0.10 -0.04 2.53 -4.36 -0.33 -2.14 121.20 116.05 2ai9 s ILE 72 Ca 0.00 -0.83 0.04 0.00 -0.26 0.00 0.00 60.65 59.61 2ai9 s ILE 72 Cb -0.08 -0.92 -0.00 0.00 1.25 0.00 0.00 42.46 42.71 2ai9 s ILE 72 CO 0.01 -0.46 -0.17 0.00 0.24 0.00 0.00 174.94 174.57 2ai9 s ALA 73 N -2.56 1.49 -0.04 2.27 0.00 -0.48 -0.80 121.76 121.63 2ai9 s ALA 73 Ca -0.05 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.24 2ai9 s ALA 73 Cb -0.01 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.65 2ai9 s ALA 73 CO -0.04 0.29 -0.09 0.08 0.00 0.00 0.00 175.76 176.00 2ai9 s VAL 74 N -0.04 0.83 -0.35 0.00 1.01 0.13 -1.58 120.40 120.39 2ai9 s VAL 74 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2ai9 s VAL 74 Cb -0.10 -0.77 0.14 0.00 0.00 0.00 0.00 36.38 35.65 2ai9 s VAL 74 CO 0.02 0.28 0.23 -0.22 0.00 0.00 0.00 175.10 175.40 2ai9 s LEU 75 N 0.57 0.85 -0.27 3.92 2.96 0.82 -1.35 118.68 126.18 2ai9 s LEU 75 Ca -0.10 -2.11 -0.11 0.00 -0.22 0.00 0.00 54.13 51.59 2ai9 s LEU 75 Cb -0.13 -0.29 -0.05 0.00 0.50 0.00 0.00 46.19 46.22 2ai9 s LEU 75 CO 0.02 -0.31 0.21 -0.63 -1.32 0.00 0.00 176.35 174.32 2ai9 s ILE 76 N 1.13 5.31 0.73 6.68 1.01 0.32 -4.49 121.20 131.88 2ai9 s ILE 76 Ca 0.18 0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.95 2ai9 s ILE 76 Cb -0.22 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.73 2ai9 s ILE 76 CO 0.00 0.27 1.07 -2.84 0.00 0.00 0.00 174.94 173.44 2ai9 s PRO 77 N 1.58 2.62 -0.34 2.79 0.02 -1.26 -1.41 135.00 138.99 2ai9 s PRO 77 Ca 0.08 0.89 -0.28 0.00 0.02 0.00 0.00 61.00 61.72 2ai9 s PRO 77 Cb -0.15 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.37 2ai9 s PRO 77 CO 0.09 -1.31 2.05 0.34 -0.33 0.00 0.00 177.00 177.84 2ai9 s ASP 78 N -3.77 5.46 0.00 2.53 3.68 -1.26 -4.77 116.67 118.53 2ai9 s ASP 78 Ca 0.59 1.40 0.00 0.00 2.13 0.00 0.00 52.55 56.67 2ai9 s ASP 78 Cb -0.15 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.81 2ai9 s ASP 78 CO 0.55 -2.04 0.54 -0.90 0.13 0.00 0.00 175.17 173.45 2ai9 n ASP 79 N 11.86 0.02 0.00 -0.34 5.68 -1.25 -4.74 116.55 127.77 2ai9 n ASP 79 Ca 0.27 -1.10 0.00 0.00 -0.50 0.00 0.00 54.79 53.46 2ai9 n ASP 79 Cb 0.48 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2ai9 n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ai9 n GLY 80 N 0.05 2.35 0.63 6.12 0.00 -1.26 -4.90 105.19 108.18 2ai9 n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ai9 n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ai9 n SER 81 N 0.00 1.45 0.00 1.61 3.41 -1.26 -4.84 113.62 113.99 2ai9 n SER 81 Ca 0.00 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 2ai9 n SER 81 Cb 0.00 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 2ai9 n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ai9 n GLY 82 N 0.16 1.38 3.68 5.00 0.00 -1.26 -4.93 105.19 109.21 2ai9 n GLY 82 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2ai9 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ai9 s LYS 83 N 0.00 4.23 0.11 1.61 1.02 -1.26 -4.93 119.74 120.52 2ai9 s LYS 83 Ca 0.00 2.07 0.03 0.00 0.02 0.00 0.00 55.97 58.09 2ai9 s LYS 83 Cb 0.00 -3.72 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 2ai9 s LYS 83 CO 0.00 -0.70 -0.09 0.45 -0.92 0.00 0.00 175.35 174.09 2ai9 s SER 84 N 2.43 1.43 -0.17 2.83 0.15 -1.26 -3.97 113.70 115.15 2ai9 s SER 84 Ca 0.68 -0.93 -0.05 0.00 0.70 0.00 0.00 55.95 56.35 2ai9 s SER 84 Cb -0.32 0.03 0.06 0.00 -1.71 0.00 0.00 66.02 64.08 2ai9 s SER 84 CO 0.27 -0.35 0.09 -0.31 1.20 0.00 0.00 173.24 174.14 2ai9 s TYR 85 N -3.07 0.19 -0.42 3.44 1.51 -0.50 -5.00 117.35 113.50 2ai9 s TYR 85 Ca 0.10 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 2ai9 s TYR 85 Cb 0.01 -0.68 0.12 0.00 -0.11 0.00 0.00 41.96 41.30 2ai9 s TYR 85 CO -0.01 -0.50 0.19 0.34 -1.11 0.00 0.00 175.55 174.45 2ai9 s ASP 86 N 2.14 4.02 0.00 2.29 2.15 -1.26 -0.52 116.67 125.49 2ai9 s ASP 86 Ca 0.02 -2.45 0.02 0.00 0.43 0.00 0.00 52.55 50.57 2ai9 s ASP 86 Cb -0.16 -1.21 -0.01 0.00 -0.30 0.00 0.00 42.92 41.24 2ai9 s ASP 86 CO -0.09 -0.30 -0.06 -0.31 -0.17 0.00 0.00 175.17 174.24 2ai9 s TYR 87 N 0.54 0.52 -0.24 -5.34 1.51 -0.46 -5.01 117.35 108.87 2ai9 s TYR 87 Ca 0.15 -0.14 -0.00 0.00 -1.01 0.00 0.00 57.07 56.07 2ai9 s TYR 87 Cb -0.23 -0.33 0.03 0.00 -0.11 0.00 0.00 41.96 41.33 2ai9 s TYR 87 CO -0.06 -0.02 -0.10 -1.64 -1.11 0.00 0.00 175.55 172.63 2ai9 s MET 88 N -0.28 2.71 -0.06 -0.62 -1.94 -1.26 -0.69 119.30 117.16 2ai9 s MET 88 Ca 0.01 -1.05 0.04 0.00 -1.71 0.00 0.00 55.69 52.98 2ai9 s MET 88 Cb -0.03 -2.89 -0.02 0.00 2.01 0.00 0.00 34.83 33.90 2ai9 s MET 88 CO -0.00 -0.41 -0.17 -0.51 -0.01 0.00 0.00 175.02 173.91 2ai9 s LEU 89 N 1.26 2.55 -0.12 -0.03 1.02 0.02 -4.24 118.68 119.14 2ai9 s LEU 89 Ca -0.01 -0.30 -0.01 0.00 0.02 0.00 0.00 54.13 53.83 2ai9 s LEU 89 Cb -0.17 -1.51 -0.02 0.00 0.02 0.00 0.00 46.19 44.51 2ai9 s LEU 89 CO -0.06 0.30 -0.08 -0.69 0.02 0.00 0.00 176.35 175.84 2ai9 s VAL 90 N -0.47 3.58 -1.43 -1.59 1.01 -0.20 -1.19 120.40 120.10 2ai9 s VAL 90 Ca 0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 2ai9 s VAL 90 Cb -0.12 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.77 2ai9 s VAL 90 CO 0.02 0.54 0.55 0.59 0.00 0.00 0.00 175.10 176.80 2ai9 n ASN 91 N 3.07 -1.12 -4.76 3.32 3.02 0.12 -1.45 115.26 117.46 2ai9 n ASN 91 Ca -0.18 -0.95 -0.39 0.00 -0.03 0.00 0.00 54.58 53.03 2ai9 n ASN 91 Cb 0.53 -3.28 0.01 0.00 -0.61 0.00 0.00 39.78 36.43 2ai9 n ASN 91 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2ai9 s PRO 92 N -6.49 3.60 -0.14 3.52 0.04 -1.26 -4.56 135.00 129.72 2ai9 s PRO 92 Ca 0.13 2.17 -0.06 0.00 0.04 0.00 0.00 61.00 63.28 2ai9 s PRO 92 Cb -0.07 -2.51 0.06 0.00 0.04 0.00 0.00 34.50 32.03 2ai9 s PRO 92 CO 0.87 -0.80 0.30 0.21 0.04 0.00 0.00 177.00 177.62 2ai9 s LYS 93 N -2.58 0.21 -0.19 4.56 2.20 0.03 -4.98 119.74 118.97 2ai9 s LYS 93 Ca 0.64 0.75 -0.29 0.00 -0.36 0.00 0.00 55.97 56.70 2ai9 s LYS 93 Cb -0.38 0.00 -0.00 0.00 -1.51 0.00 0.00 37.83 35.94 2ai9 s LYS 93 CO 0.47 -0.24 1.18 0.42 -0.36 0.00 0.00 175.35 176.82 2ai9 s ILE 94 N 2.10 4.43 -0.04 5.43 1.01 -1.26 -1.02 121.20 131.85 2ai9 s ILE 94 Ca -0.03 1.73 0.15 0.00 0.00 0.00 0.00 60.65 62.51 2ai9 s ILE 94 Cb -0.11 -4.12 -0.23 0.00 0.01 0.00 0.00 42.46 38.01 2ai9 s ILE 94 CO -0.10 -0.16 0.28 1.33 0.00 0.00 0.00 174.94 176.29 2ai9 n VAL 95 N 5.37 0.19 -3.67 2.92 0.24 -0.46 -4.98 118.33 117.94 2ai9 n VAL 95 Ca 0.13 -0.40 -0.15 0.00 -2.04 0.00 0.00 64.34 61.88 2ai9 n VAL 95 Cb 0.45 -0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.74 2ai9 n VAL 95 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2ai9 s SER 96 N -3.97 -0.48 0.23 -1.34 1.04 -1.23 -5.03 113.70 102.92 2ai9 s SER 96 Ca -0.06 0.69 -0.12 0.00 0.48 0.00 0.00 55.95 56.94 2ai9 s SER 96 Cb 0.09 0.71 -0.00 0.00 0.10 0.00 0.00 66.02 66.92 2ai9 s SER 96 CO 0.63 -0.37 0.45 -1.38 0.98 0.00 0.00 173.24 173.54 2ai9 s HIS 97 N -0.57 0.34 0.80 5.02 -0.00 -1.26 -0.81 115.29 118.80 2ai9 s HIS 97 Ca -0.07 -0.69 -0.12 0.00 -0.00 0.00 0.00 55.06 54.18 2ai9 s HIS 97 Cb -0.03 0.16 0.07 0.00 -0.00 0.00 0.00 32.58 32.78 2ai9 s HIS 97 CO 0.04 -0.94 1.14 -1.54 -0.00 0.00 0.00 174.74 173.45 2ai9 s SER 98 N -3.00 4.57 -0.14 7.38 1.04 0.09 -4.98 113.70 118.66 2ai9 s SER 98 Ca 0.21 0.95 0.09 0.00 0.48 0.00 0.00 55.95 57.67 2ai9 s SER 98 Cb 0.00 -1.55 -0.23 0.00 0.10 0.00 0.00 66.02 64.34 2ai9 s SER 98 CO 0.06 -1.88 0.28 0.52 0.98 0.00 0.00 173.24 173.20 2ai9 n VAL 99 N -3.33 1.56 -1.83 5.02 0.31 -1.26 -4.80 118.33 114.00 2ai9 n VAL 99 Ca 0.07 -0.75 -0.36 0.00 -0.01 0.00 0.00 64.34 63.30 2ai9 n VAL 99 Cb 0.59 -1.06 0.05 0.00 -0.91 0.00 0.00 33.84 32.51 2ai9 n VAL 99 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2ai9 s GLN 100 N -2.54 2.71 0.36 5.55 0.74 -1.26 -4.95 119.66 120.27 2ai9 s GLN 100 Ca -0.15 1.86 0.08 0.00 0.05 0.00 0.00 55.36 57.20 2ai9 s GLN 100 Cb 0.07 -1.89 -0.04 0.00 1.10 0.00 0.00 33.01 32.25 2ai9 s GLN 100 CO 0.78 -1.42 0.21 -1.21 -0.55 0.00 0.00 175.29 173.10 2ai9 s GLU 101 N -3.47 2.43 0.14 1.67 2.02 -1.26 -2.22 118.70 118.00 2ai9 s GLU 101 Ca 0.78 -1.54 -0.09 0.00 0.02 0.00 0.00 54.97 54.13 2ai9 s GLU 101 Cb -0.32 -2.23 -0.00 0.00 0.10 0.00 0.00 34.13 31.68 2ai9 s GLU 101 CO 0.37 0.03 0.25 0.00 0.02 0.00 0.00 175.26 175.94 2ai9 s ALA 102 N -2.44 -0.11 -0.12 5.21 0.00 0.14 -0.68 121.76 123.76 2ai9 s ALA 102 Ca 0.40 -0.76 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 2ai9 s ALA 102 Cb -0.02 0.72 0.12 0.00 0.00 0.00 0.00 23.12 23.94 2ai9 s ALA 102 CO 0.24 -0.60 1.02 1.52 0.00 0.00 0.00 175.76 177.94 2ai9 s TYR 103 N -3.92 -0.30 0.13 0.00 -0.85 -0.94 -1.46 117.35 110.01 2ai9 s TYR 103 Ca 0.12 0.36 -0.25 0.00 -0.52 0.00 0.00 57.07 56.79 2ai9 s TYR 103 Cb 0.04 0.49 -0.07 0.00 0.38 0.00 0.00 41.96 42.80 2ai9 s TYR 103 CO -0.04 -0.37 0.77 -0.51 -1.52 0.00 0.00 175.55 173.88 2ai9 s LEU 104 N -1.75 4.56 0.09 -3.49 1.43 -1.26 0.17 118.68 118.42 2ai9 s LEU 104 Ca 0.03 1.59 -0.23 0.00 -1.03 0.00 0.00 54.13 54.49 2ai9 s LEU 104 Cb -0.01 -3.27 -0.14 0.00 0.03 0.00 0.00 46.19 42.81 2ai9 s LEU 104 CO -0.04 0.16 1.73 -0.65 0.23 0.00 0.00 176.35 177.78 2ai9 h PRO 105 N 4.68 -0.05 -0.06 1.29 0.11 -1.96 -2.83 132.00 133.18 2ai9 h PRO 105 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2ai9 h PRO 105 Cb 1.21 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2ai9 h PRO 105 CO 0.67 -0.03 0.00 -2.37 -0.21 0.00 0.00 178.00 176.06 2ai9 n THR 106 N -5.12 0.00 -2.75 -1.15 5.66 -1.26 -4.95 114.28 104.71 2ai9 n THR 106 Ca -0.07 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 60.95 2ai9 n THR 106 Cb 0.06 -0.10 -0.00 0.00 -1.55 0.00 0.00 70.33 68.74 2ai9 n THR 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ai9 n GLY 107 N 0.33 -1.98 3.37 1.09 0.00 -1.07 -4.94 105.19 101.98 2ai9 n GLY 107 Ca 0.00 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.36 2ai9 n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ai9 s GLU 108 N -0.47 1.39 0.47 1.61 2.02 -1.26 -4.80 118.70 117.66 2ai9 s GLU 108 Ca 0.00 -1.29 0.04 0.00 0.02 0.00 0.00 54.97 53.74 2ai9 s GLU 108 Cb 0.00 -1.81 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 2ai9 s GLU 108 CO 0.00 0.43 0.07 0.20 0.02 0.00 0.00 175.26 175.98 2ai9 s GLY 109 N -1.94 2.71 -0.29 -1.39 0.00 -1.26 -4.73 107.32 100.42 2ai9 s GLY 109 Ca 0.12 -1.27 -0.13 0.00 0.00 0.00 0.00 44.72 43.44 2ai9 s GLY 109 CO 0.05 -2.10 0.69 0.00 0.00 0.00 0.00 173.10 171.73 2ai9 h LEU 111 N 7.46 0.00 0.00 0.00 3.38 -1.97 0.51 115.31 124.69 2ai9 h LEU 111 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2ai9 h LEU 111 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2ai9 h LEU 111 CO 0.13 0.00 -0.00 0.28 0.09 0.00 0.00 178.44 178.94 2ai9 h SER 112 N 0.00 0.00 -3.62 -0.43 0.02 -1.95 -3.42 113.55 104.16 2ai9 h SER 112 Ca 0.43 -0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.68 2ai9 h SER 112 Cb 1.71 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 64.01 2ai9 h SER 112 CO -0.00 0.00 -0.54 -0.69 -1.14 0.00 0.00 176.83 174.45 2ai9 s VAL 113 N -3.13 4.48 -0.05 2.27 1.01 0.18 -0.52 120.40 124.63 2ai9 s VAL 113 Ca 0.10 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 61.11 2ai9 s VAL 113 Cb 0.10 -3.41 -0.22 0.00 0.00 0.00 0.00 36.38 32.85 2ai9 s VAL 113 CO 0.62 -0.10 1.10 0.44 0.00 0.00 0.00 175.10 177.17 2ai9 h ASP 114 N 8.37 0.09 -3.68 3.32 3.32 -1.81 -3.41 116.42 122.63 2ai9 h ASP 114 Ca -0.28 -0.67 -0.50 0.00 0.02 0.00 0.00 57.03 55.59 2ai9 h ASP 114 Cb 1.12 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 2ai9 h ASP 114 CO 0.64 0.75 0.15 1.51 -1.72 0.00 0.00 179.24 180.57 2ai9 s ASP 115 N -6.00 7.03 0.49 6.45 3.84 -1.26 -5.05 116.67 122.16 2ai9 s ASP 115 Ca -0.16 1.46 -0.20 0.00 -0.00 0.00 0.00 52.55 53.65 2ai9 s ASP 115 Cb 0.01 -2.44 -0.08 0.00 -1.38 0.00 0.00 42.92 39.03 2ai9 s ASP 115 CO 0.70 -0.06 1.04 0.20 -0.00 0.00 0.00 175.17 177.06 2ai9 s ASN 116 N -1.81 6.30 0.19 2.11 0.01 -1.26 -5.02 114.94 115.46 2ai9 s ASN 116 Ca 0.48 1.94 0.10 0.00 -0.71 0.00 0.00 52.86 54.66 2ai9 s ASN 116 Cb -0.15 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 2ai9 s ASN 116 CO 0.20 -0.81 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.13 2ai9 s VAL 117 N -1.98 2.77 0.00 1.60 1.01 -1.26 -5.13 120.40 117.42 2ai9 s VAL 117 Ca 0.67 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.80 2ai9 s VAL 117 Cb -0.17 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2ai9 s VAL 117 CO 0.20 -0.12 0.01 0.00 0.00 0.00 0.00 175.10 175.20 2ai9 n ALA 118 N 0.14 0.00 -0.57 5.51 0.00 -1.26 -4.83 120.51 119.49 2ai9 n ALA 118 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.12 2ai9 n ALA 118 Cb 0.56 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.03 2ai9 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ai9 n GLY 119 N 1.97 -2.64 3.82 0.00 0.00 -1.26 -4.73 105.19 102.35 2ai9 n GLY 119 Ca 0.00 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 2ai9 n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ai9 s LEU 120 N 4.60 4.12 -0.29 0.99 1.43 -0.43 -4.48 118.68 124.62 2ai9 s LEU 120 Ca 0.23 1.53 -0.06 0.00 -1.03 0.00 0.00 54.13 54.79 2ai9 s LEU 120 Cb -0.09 -4.12 0.01 0.00 0.03 0.00 0.00 46.19 42.01 2ai9 s LEU 120 CO 0.47 -0.19 0.07 -0.69 0.23 0.00 0.00 176.35 176.24 2ai9 s VAL 121 N -1.90 3.87 -0.38 -1.59 1.01 -1.26 -4.27 120.40 115.88 2ai9 s VAL 121 Ca 0.54 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 2ai9 s VAL 121 Cb -0.12 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.27 2ai9 s VAL 121 CO 0.18 0.10 0.50 -1.00 0.00 0.00 0.00 175.10 174.88 2ai9 s HIS 122 N 1.49 3.16 0.40 5.22 3.76 -1.26 -4.37 115.29 123.68 2ai9 s HIS 122 Ca 0.02 -0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 2ai9 s HIS 122 Cb -0.17 -2.97 0.00 0.00 1.11 0.00 0.00 32.58 30.56 2ai9 s HIS 122 CO 0.02 -0.63 0.03 0.54 -0.85 0.00 0.00 174.74 173.85 2ai9 n ARG 123 N 5.76 1.03 -2.52 1.40 1.74 -0.53 -4.93 116.66 118.61 2ai9 n ARG 123 Ca -0.05 -2.84 -0.41 0.00 -0.77 0.00 0.00 57.85 53.79 2ai9 n ARG 123 Cb 0.48 0.72 -0.04 0.00 -1.02 0.00 0.00 32.46 32.60 2ai9 n ARG 123 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2ai9 s HIS 124 N -2.38 3.63 0.15 -1.55 3.76 -1.26 -0.68 115.29 116.96 2ai9 s HIS 124 Ca 0.02 1.69 0.21 0.00 -0.15 0.00 0.00 55.06 56.83 2ai9 s HIS 124 Cb -0.00 -3.25 0.78 0.00 1.11 0.00 0.00 32.58 31.22 2ai9 s HIS 124 CO 0.01 -0.45 1.77 -0.97 -0.85 0.00 0.00 174.74 174.25 2ai9 h ASN 125 N 4.35 0.00 -3.71 1.40 -0.00 -1.66 -3.42 115.58 112.54 2ai9 h ASN 125 Ca -0.46 0.00 -0.24 0.00 -0.00 0.00 0.00 56.30 55.61 2ai9 h ASN 125 Cb 1.21 0.00 -0.29 0.00 -0.00 0.00 0.00 38.32 39.24 2ai9 h ASN 125 CO 0.69 0.31 -0.72 -0.13 -0.00 0.00 0.00 177.43 177.58 2ai9 s ARG 126 N -3.63 -0.00 0.08 6.67 0.52 -1.26 -0.53 118.95 120.79 2ai9 s ARG 126 Ca 0.00 0.02 -0.06 0.00 -0.52 0.00 0.00 55.73 55.18 2ai9 s ARG 126 Cb 0.11 -0.02 -0.02 0.00 0.52 0.00 0.00 34.95 35.54 2ai9 s ARG 126 CO 0.67 -0.02 0.11 0.96 0.02 0.00 0.00 175.30 177.04 2ai9 s ILE 127 N 0.10 0.17 -0.10 1.52 -4.36 -0.41 -0.73 121.20 117.38 2ai9 s ILE 127 Ca -0.01 -1.45 0.01 0.00 -0.26 0.00 0.00 60.65 58.94 2ai9 s ILE 127 Cb -0.01 -1.45 0.02 0.00 1.25 0.00 0.00 42.46 42.26 2ai9 s ILE 127 CO -0.00 -0.76 -0.12 -0.89 0.24 0.00 0.00 174.94 173.41 2ai9 s THR 128 N -3.89 1.24 -0.05 8.37 2.01 0.01 -0.96 115.64 122.36 2ai9 s THR 128 Ca 0.07 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.64 2ai9 s THR 128 Cb 0.06 -1.17 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 2ai9 s THR 128 CO -0.10 0.39 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.42 2ai9 s ILE 129 N 1.19 2.73 -0.09 1.82 1.01 0.36 -1.36 121.20 126.87 2ai9 s ILE 129 Ca -0.04 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.81 2ai9 s ILE 129 Cb -0.14 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 2ai9 s ILE 129 CO -0.03 0.58 -0.22 -0.54 0.00 0.00 0.00 174.94 174.73 2ai9 s LYS 130 N -0.57 2.92 0.38 2.79 1.02 -0.19 -0.32 119.74 125.77 2ai9 s LYS 130 Ca 0.08 -0.84 -0.12 0.00 0.02 0.00 0.00 55.97 55.12 2ai9 s LYS 130 Cb -0.11 -2.33 0.04 0.00 -0.52 0.00 0.00 37.83 34.92 2ai9 s LYS 130 CO 0.01 0.28 0.71 0.00 -0.92 0.00 0.00 175.35 175.43 2ai9 s ALA 131 N 0.10 -0.31 0.11 5.17 0.00 -0.46 -0.79 121.76 125.59 2ai9 s ALA 131 Ca -0.10 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 50.96 2ai9 s ALA 131 Cb -0.16 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 2ai9 s ALA 131 CO 0.06 -0.93 -0.15 0.15 0.00 0.00 0.00 175.76 174.89 2ai9 s LYS 132 N -2.42 1.91 0.81 0.00 -0.14 -0.53 -1.28 119.74 118.09 2ai9 s LYS 132 Ca 0.20 -1.12 -0.05 0.00 -1.36 0.00 0.00 55.97 53.64 2ai9 s LYS 132 Cb -0.04 -2.18 0.17 0.00 -1.68 0.00 0.00 37.83 34.09 2ai9 s LYS 132 CO 0.14 0.49 1.11 0.16 -0.76 0.00 0.00 175.35 176.49 2ai9 s ASP 133 N -2.17 3.84 0.60 2.83 1.47 0.73 -1.04 116.67 122.93 2ai9 s ASP 133 Ca 0.19 -0.33 0.29 0.00 1.18 0.00 0.00 52.55 53.88 2ai9 s ASP 133 Cb -0.11 0.14 1.56 0.00 -0.34 0.00 0.00 42.92 44.18 2ai9 s ASP 133 CO 0.11 -2.22 1.98 -0.29 0.68 0.00 0.00 175.17 175.43 2ai9 h ILE 134 N -0.90 0.37 -0.61 2.11 2.10 -1.90 -0.97 117.51 117.70 2ai9 h ILE 134 Ca -0.37 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.57 2ai9 h ILE 134 Cb 1.25 0.71 0.00 0.00 -1.09 0.00 0.00 36.82 37.69 2ai9 h ILE 134 CO 0.36 0.00 0.00 -0.62 -1.08 0.00 0.00 178.15 176.81 2ai9 n GLU 135 N -3.67 3.28 -0.67 2.19 -0.58 -1.26 -4.74 120.64 115.20 2ai9 n GLU 135 Ca 0.05 -2.71 0.00 0.00 -0.42 0.00 0.00 57.16 54.08 2ai9 n GLU 135 Cb 0.51 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 2ai9 n GLU 135 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ai9 n GLY 136 N 1.11 0.78 3.90 0.62 0.00 -0.37 -5.03 105.19 106.20 2ai9 n GLY 136 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 2ai9 n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ai9 s ASN 137 N -2.70 6.04 0.02 1.61 0.01 -1.26 -4.73 114.94 113.92 2ai9 s ASN 137 Ca 0.00 0.98 -0.24 0.00 -0.71 0.00 0.00 52.86 52.89 2ai9 s ASN 137 Cb 0.00 -2.13 -0.05 0.00 0.41 0.00 0.00 41.25 39.47 2ai9 s ASN 137 CO 0.00 -0.80 0.72 -1.81 -1.51 0.00 0.00 177.10 173.70 2ai9 s ASP 138 N -4.19 7.13 -0.03 -1.22 1.01 -1.26 -0.19 116.67 117.92 2ai9 s ASP 138 Ca 0.51 1.35 0.03 0.00 0.71 0.00 0.00 52.55 55.15 2ai9 s ASP 138 Cb -0.11 -2.44 -0.00 0.00 1.01 0.00 0.00 42.92 41.39 2ai9 s ASP 138 CO 0.47 0.02 -0.12 -0.51 0.21 0.00 0.00 175.17 175.24 2ai9 s ILE 139 N 0.01 1.01 -0.06 0.77 1.10 -0.41 -4.90 121.20 118.74 2ai9 s ILE 139 Ca 0.37 -0.50 0.02 0.00 -0.51 0.00 0.00 60.65 60.03 2ai9 s ILE 139 Cb -0.20 -0.88 0.01 0.00 0.15 0.00 0.00 42.46 41.55 2ai9 s ILE 139 CO 0.21 0.30 -0.10 -1.58 -2.11 0.00 0.00 174.94 171.66 2ai9 s GLN 140 N 0.05 1.42 0.04 3.50 0.74 -1.26 -1.35 119.66 122.79 2ai9 s GLN 140 Ca -0.02 -0.33 0.08 0.00 0.05 0.00 0.00 55.36 55.15 2ai9 s GLN 140 Cb -0.09 -1.22 -0.03 0.00 1.10 0.00 0.00 33.01 32.78 2ai9 s GLN 140 CO 0.01 0.01 -0.24 -0.51 -0.55 0.00 0.00 175.29 174.01 2ai9 s LEU 141 N 0.68 2.15 -0.15 3.68 1.43 0.57 -4.96 118.68 122.08 2ai9 s LEU 141 Ca -0.13 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.44 2ai9 s LEU 141 Cb -0.15 -1.16 0.01 0.00 0.03 0.00 0.00 46.19 44.92 2ai9 s LEU 141 CO 0.03 0.23 -0.21 -0.13 0.23 0.00 0.00 176.35 176.49 2ai9 s ARG 142 N -1.13 3.02 0.08 1.70 0.52 -1.26 -0.49 118.95 121.40 2ai9 s ARG 142 Ca 0.10 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 2ai9 s ARG 142 Cb -0.09 -2.49 -0.03 0.00 0.52 0.00 0.00 34.95 32.85 2ai9 s ARG 142 CO 0.02 -0.07 -0.11 -0.51 0.02 0.00 0.00 175.30 174.64 2ai9 s LEU 143 N 0.97 2.34 0.03 2.53 1.43 -0.14 -5.01 118.68 120.83 2ai9 s LEU 143 Ca -0.03 -0.71 -0.00 0.00 -1.03 0.00 0.00 54.13 52.36 2ai9 s LEU 143 Cb -0.15 -0.35 -0.03 0.00 0.03 0.00 0.00 46.19 45.69 2ai9 s LEU 143 CO -0.05 -0.19 -0.03 -1.59 0.23 0.00 0.00 176.35 174.71 2ai9 s LYS 144 N -2.25 0.43 6.01 1.70 -2.85 -1.26 -1.29 119.74 120.24 2ai9 s LYS 144 Ca 0.01 -0.83 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 2ai9 s LYS 144 Cb -0.06 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.82 2ai9 s LYS 144 CO 0.01 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 175.80 2ai9 n GLY 145 N 1.07 2.90 0.41 0.59 0.00 0.31 -3.60 105.19 106.87 2ai9 n GLY 145 Ca -0.20 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 2ai9 n GLY 145 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2ai9 h TYR 146 N 0.00 -1.40 -0.73 1.61 3.20 -1.91 0.38 116.97 118.11 2ai9 h TYR 146 Ca 0.00 0.08 0.15 0.00 3.14 0.00 0.00 58.73 62.10 2ai9 h TYR 146 Cb 0.00 0.68 -0.05 0.00 1.54 0.00 0.00 36.73 38.90 2ai9 h TYR 146 CO 0.00 -0.45 0.49 -1.35 -1.64 0.00 0.00 178.16 175.21 2ai9 h PRO 147 N -0.33 0.34 -0.34 1.82 0.11 -1.98 0.33 132.00 131.95 2ai9 h PRO 147 Ca 0.13 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 66.05 2ai9 h PRO 147 Cb 0.58 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 2ai9 h PRO 147 CO -0.61 0.22 -0.44 0.00 -0.21 0.00 0.00 178.00 176.96 2ai9 h ALA 148 N 1.65 0.58 -0.45 -0.75 0.00 -1.07 -2.62 119.26 116.60 2ai9 h ALA 148 Ca 0.36 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2ai9 h ALA 148 Cb 0.91 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2ai9 h ALA 148 CO -0.10 0.68 0.21 0.82 0.00 0.00 0.00 179.25 180.86 2ai9 h ILE 149 N 0.70 1.19 -0.28 0.00 1.08 0.14 -1.92 117.51 118.42 2ai9 h ILE 149 Ca 0.05 -0.53 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2ai9 h ILE 149 Cb 1.02 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 2ai9 h ILE 149 CO 0.10 0.20 0.17 0.58 -0.69 0.00 0.00 178.15 178.52 2ai9 h VAL 150 N 0.59 1.10 -0.59 1.67 2.07 -0.82 -1.64 116.25 118.64 2ai9 h VAL 150 Ca 0.15 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 2ai9 h VAL 150 Cb 0.13 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2ai9 h VAL 150 CO -0.02 0.10 0.07 -0.26 0.02 0.00 0.00 177.57 177.48 2ai9 h PHE 151 N 0.36 1.03 -0.21 1.57 -1.00 -1.35 -1.76 116.94 115.57 2ai9 h PHE 151 Ca 0.10 -0.14 -0.10 0.00 2.81 0.00 0.00 57.97 60.64 2ai9 h PHE 151 Cb 0.01 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.28 2ai9 h PHE 151 CO -0.04 0.89 -0.30 1.96 -1.61 0.00 0.00 178.31 179.20 2ai9 h GLN 152 N 0.91 0.42 0.68 1.51 4.20 -1.20 0.45 115.11 122.08 2ai9 h GLN 152 Ca 0.18 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2ai9 h GLN 152 Cb 0.43 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.20 2ai9 h GLN 152 CO 0.01 0.68 -0.33 1.25 -0.67 0.00 0.00 178.83 179.78 2ai9 h HIS 153 N 0.36 -0.85 -0.77 2.96 2.76 -0.92 -0.42 115.15 118.27 2ai9 h HIS 153 Ca 0.05 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.23 2ai9 h HIS 153 Cb 0.72 0.28 -0.05 0.00 1.55 0.00 0.00 27.41 29.91 2ai9 h HIS 153 CO 0.02 -0.51 0.49 0.93 -1.30 0.00 0.00 177.93 177.56 2ai9 h GLU 154 N -0.99 0.92 -0.34 5.26 4.39 -1.17 -1.69 114.58 120.96 2ai9 h GLU 154 Ca -0.09 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 2ai9 h GLU 154 Cb 0.72 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2ai9 h GLU 154 CO 0.15 0.61 0.06 0.82 -1.16 0.00 0.00 179.01 179.49 2ai9 h ILE 155 N 0.95 1.17 -0.66 3.13 2.04 -0.80 -2.07 117.51 121.28 2ai9 h ILE 155 Ca 0.31 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.59 2ai9 h ILE 155 Cb 0.02 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2ai9 h ILE 155 CO -0.11 0.22 0.44 0.44 0.00 0.00 0.00 178.15 179.14 2ai9 h ASP 156 N 0.49 0.62 -0.97 1.72 3.32 -0.10 -1.87 116.42 119.63 2ai9 h ASP 156 Ca 0.11 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 2ai9 h ASP 156 Cb 0.23 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 2ai9 h ASP 156 CO 0.00 0.41 0.60 0.45 -1.72 0.00 0.00 179.24 178.98 2ai9 h HIS 157 N 0.71 1.26 0.00 4.55 3.86 -1.26 -0.43 115.15 123.84 2ai9 h HIS 157 Ca 0.28 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2ai9 h HIS 157 Cb 0.20 -0.42 0.00 0.00 1.06 0.00 0.00 27.41 28.25 2ai9 h HIS 157 CO -0.00 0.82 0.00 -0.07 0.86 0.00 0.00 177.93 179.54 2ai9 h LEU 158 N 1.33 0.00 -3.16 2.43 3.38 -1.38 -0.21 115.31 117.71 2ai9 h LEU 158 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2ai9 h LEU 158 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2ai9 h LEU 158 CO -0.07 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.05 2ai9 n ASN 159 N -2.50 3.33 -3.47 -0.43 3.02 -0.45 -0.91 115.26 113.84 2ai9 n ASN 159 Ca -0.02 -2.96 -0.23 0.00 -0.03 0.00 0.00 54.58 51.35 2ai9 n ASN 159 Cb 0.06 -0.48 0.08 0.00 -0.61 0.00 0.00 39.78 38.83 2ai9 n ASN 159 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ai9 n GLY 160 N -0.73 -0.48 3.22 7.41 0.00 -0.09 -4.77 105.19 109.74 2ai9 n GLY 160 Ca 0.19 0.22 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 2ai9 n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ai9 s VAL 161 N -3.31 2.31 0.04 1.61 1.01 -0.30 -4.67 120.40 117.09 2ai9 s VAL 161 Ca 0.54 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2ai9 s VAL 161 Cb -0.24 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2ai9 s VAL 161 CO 0.70 0.54 0.24 -0.04 0.00 0.00 0.00 175.10 176.54 2ai9 s MET 162 N 0.68 3.49 0.28 2.72 -1.94 -1.26 -3.68 119.30 119.59 2ai9 s MET 162 Ca -0.09 -0.28 0.01 0.00 -1.71 0.00 0.00 55.69 53.62 2ai9 s MET 162 Cb -0.16 -3.04 0.63 0.00 2.01 0.00 0.00 34.83 34.27 2ai9 s MET 162 CO 0.02 0.62 1.72 0.27 -0.01 0.00 0.00 175.02 177.64 2ai9 h PHE 163 N 3.47 0.68 0.00 -0.03 -5.15 -1.95 0.58 116.94 114.53 2ai9 h PHE 163 Ca -0.47 0.04 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 2ai9 h PHE 163 Cb 1.18 -0.17 0.00 0.00 0.22 0.00 0.00 35.95 37.18 2ai9 h PHE 163 CO 0.64 0.05 0.00 2.48 -2.00 0.00 0.00 178.31 179.48 2ai9 n TYR 164 N -4.98 0.00 0.52 6.09 0.18 -1.26 -1.94 117.16 115.76 2ai9 n TYR 164 Ca 0.19 0.00 0.13 0.00 1.88 0.00 0.00 57.90 60.10 2ai9 n TYR 164 Cb 0.55 -0.10 0.40 0.00 -0.38 0.00 0.00 39.34 39.81 2ai9 n TYR 164 CO 0.00 0.00 0.00 -0.44 -2.08 0.00 0.00 176.86 174.34 2ai9 h ASP 165 N 0.00 0.00 0.45 9.48 5.19 -1.28 -3.28 116.42 126.98 2ai9 h ASP 165 Ca 0.00 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.17 2ai9 h ASP 165 Cb 0.03 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.50 2ai9 h ASP 165 CO 0.00 0.00 -1.74 1.41 -3.12 0.00 0.00 179.24 175.79 2ai9 n HIS 166 N -2.41 0.74 -1.67 4.55 8.25 -0.82 -4.95 115.22 118.90 2ai9 n HIS 166 Ca 0.05 0.25 -0.47 0.00 -0.26 0.00 0.00 57.72 57.29 2ai9 n HIS 166 Cb 0.41 -1.07 -0.04 0.00 1.12 0.00 0.00 29.99 30.40 2ai9 n HIS 166 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2ai9 n ILE 167 N -2.87 0.12 -2.19 1.59 5.41 -1.24 -4.79 119.36 115.40 2ai9 n ILE 167 Ca -0.16 -0.02 -0.43 0.00 1.00 0.00 0.00 62.75 63.14 2ai9 n ILE 167 Cb 0.96 -1.55 -0.02 0.00 -0.71 0.00 0.00 39.64 38.31 2ai9 n ILE 167 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 2ai9 s ASP 168 N 1.55 6.70 0.00 4.38 3.84 -1.26 -4.83 116.67 127.05 2ai9 s ASP 168 Ca 0.82 1.89 0.00 0.00 -0.00 0.00 0.00 52.55 55.26 2ai9 s ASP 168 Cb -0.71 -2.53 0.00 0.00 -1.38 0.00 0.00 42.92 38.30 2ai9 s ASP 168 CO 0.42 -0.94 0.38 0.29 -0.00 0.00 0.00 175.17 175.31 2ai9 n LYS 169 N 7.07 0.00 0.00 2.11 4.76 -1.26 -3.49 118.16 127.35 2ai9 n LYS 169 Ca 0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2ai9 n LYS 169 Cb 0.44 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 2ai9 n LYS 169 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2ai9 n ASN 170 N -0.87 0.00 -4.44 4.39 0.23 -1.26 -4.86 115.26 108.44 2ai9 n ASN 170 Ca 0.00 0.00 -0.44 0.00 -0.53 0.00 0.00 54.58 53.61 2ai9 n ASN 170 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2ai9 n ASN 170 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ai9 n HIS 171 N 0.00 4.90 -0.28 -2.53 -0.00 -1.25 -4.87 115.22 111.19 2ai9 n HIS 171 Ca 0.00 -3.33 0.01 0.00 -0.00 0.00 0.00 57.72 54.40 2ai9 n HIS 171 Cb 0.00 -2.19 0.08 0.00 -0.00 0.00 0.00 29.99 27.89 2ai9 n HIS 171 CO 0.00 0.00 0.00 -1.57 -0.00 0.00 0.00 176.34 174.77 2ai9 h PRO 172 N 7.08 -0.02 0.00 -1.40 0.18 -1.89 0.22 132.00 136.17 2ai9 h PRO 172 Ca 0.32 0.00 0.00 0.00 0.18 0.00 0.00 66.00 66.51 2ai9 h PRO 172 Cb 0.86 0.00 0.00 0.00 0.18 0.00 0.00 31.00 32.05 2ai9 h PRO 172 CO 1.26 -0.01 0.00 1.28 0.18 0.00 0.00 178.00 180.71 2ai9 n LEU 173 N -5.51 0.00 -4.57 1.57 4.77 -1.26 -1.31 117.00 110.69 2ai9 n LEU 173 Ca 0.10 0.01 -0.41 0.00 -0.03 0.00 0.00 56.01 55.69 2ai9 n LEU 173 Cb 0.40 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 2ai9 n LEU 173 CO -0.03 -0.00 0.21 0.00 -1.33 0.00 0.00 177.39 176.24 2ai9 s GLN 174 N -2.02 3.74 0.35 3.23 0.00 0.77 -4.92 119.66 120.81 2ai9 s GLN 174 Ca 0.42 -0.06 -0.28 0.00 -0.00 0.00 0.00 55.36 55.44 2ai9 s GLN 174 Cb 0.20 -3.76 -0.11 0.00 0.00 0.00 0.00 33.01 29.34 2ai9 s GLN 174 CO 0.33 -0.55 1.38 -2.14 0.00 0.00 0.00 175.29 174.31 2ai9 s PRO 175 N 2.34 4.26 0.96 9.60 0.02 -1.26 -4.95 135.00 145.96 2ai9 s PRO 175 Ca 0.19 2.36 -0.10 0.00 0.02 0.00 0.00 61.00 63.46 2ai9 s PRO 175 Cb -0.16 -3.03 0.17 0.00 0.02 0.00 0.00 34.50 31.50 2ai9 s PRO 175 CO 0.12 -0.33 1.13 -1.01 -0.33 0.00 0.00 177.00 176.58 2ai9 s HIS 176 N -1.10 1.54 -0.67 6.54 3.76 -1.26 -4.63 115.29 119.47 2ai9 s HIS 176 Ca 0.51 1.72 -0.21 0.00 -0.15 0.00 0.00 55.06 56.92 2ai9 s HIS 176 Cb -0.43 -3.31 -0.20 0.00 1.11 0.00 0.00 32.58 29.75 2ai9 s HIS 176 CO 0.57 -3.02 1.75 -2.37 -0.85 0.00 0.00 174.74 170.82 2ai9 n THR 177 N -4.37 0.00 -2.54 1.30 5.66 -1.26 -3.69 114.28 109.38 2ai9 n THR 177 Ca 0.11 -0.12 -0.02 0.00 -3.05 0.00 0.00 64.05 60.96 2ai9 n THR 177 Cb 0.52 -1.51 0.00 0.00 -1.55 0.00 0.00 70.33 67.80 2ai9 n THR 177 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2ai9 n ASP 178 N 14.70 -7.00 -4.39 1.09 8.00 -1.26 -5.09 116.55 122.60 2ai9 n ASP 178 Ca 0.32 0.96 -0.28 0.00 0.71 0.00 0.00 54.79 56.50 2ai9 n ASP 178 Cb 0.46 -4.63 -0.13 0.00 -0.02 0.00 0.00 41.12 36.81 2ai9 n ASP 178 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ai9 s ALA 179 N -1.66 2.37 0.79 2.24 0.00 -1.24 -4.68 121.76 119.58 2ai9 s ALA 179 Ca 0.07 -1.50 -0.12 0.00 0.00 0.00 0.00 51.96 50.40 2ai9 s ALA 179 Cb -0.02 -0.35 0.06 0.00 0.00 0.00 0.00 23.12 22.82 2ai9 s ALA 179 CO 0.65 0.49 1.11 0.54 0.00 0.00 0.00 175.76 178.54 2ai9 s VAL 180 N -1.28 2.97 -0.15 0.00 0.11 0.14 -4.84 120.40 117.36 2ai9 s VAL 180 Ca 0.15 0.32 -0.06 0.00 -2.93 0.00 0.00 61.98 59.46 2ai9 s VAL 180 Cb -0.09 -3.15 -0.04 0.00 -1.53 0.00 0.00 36.38 31.57 2ai9 s VAL 180 CO 0.07 -0.41 0.06 -0.70 -3.33 0.00 0.00 175.10 170.79 2ai9 s GLU 181 N -5.25 3.63 0.00 1.54 2.12 -1.26 -2.22 118.70 117.26 2ai9 s GLU 181 Ca 0.61 -0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.62 2ai9 s GLU 181 Cb -0.13 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.15 2ai9 s GLU 181 CO 0.53 0.48 0.00 0.28 -0.54 0.00 0.00 175.26 176.01