#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ng1 n PHE 2 N 0.00 -2.17 -0.36 1.12 3.72 -1.22 -4.60 117.46 113.95 1ng1 n PHE 2 Ca 0.00 0.85 -0.06 0.00 -0.05 0.00 0.00 57.45 58.19 1ng1 n PHE 2 Cb 0.00 -4.49 -0.04 0.00 -0.94 0.00 0.00 39.48 34.01 1ng1 n PHE 2 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1ng1 n GLN 3 N -3.55 -0.31 -0.07 -1.08 0.00 -1.22 -0.88 117.38 110.27 1ng1 n GLN 3 Ca -0.18 1.35 -0.08 0.00 -0.00 0.00 0.00 57.00 58.10 1ng1 n GLN 3 Cb 0.64 -2.00 -0.01 0.00 0.00 0.00 0.00 30.24 28.87 1ng1 n GLN 3 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 1ng1 h GLN 4 N 0.00 0.13 -0.47 3.69 4.15 -1.84 -0.79 115.11 119.97 1ng1 h GLN 4 Ca 0.21 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.57 1ng1 h GLN 4 Cb 0.44 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 1ng1 h GLN 4 CO -0.86 0.08 0.08 1.25 -1.93 0.00 0.00 178.83 177.46 1ng1 h LEU 5 N 0.13 0.74 -0.02 -2.39 5.85 -1.21 -1.67 115.31 116.74 1ng1 h LEU 5 Ca 0.12 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1ng1 h LEU 5 Cb 0.14 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1ng1 h LEU 5 CO -0.18 0.81 -0.05 0.28 -0.34 0.00 0.00 178.44 178.96 1ng1 h SER 6 N 0.64 -0.15 -0.20 1.25 0.02 -0.77 0.06 113.55 114.40 1ng1 h SER 6 Ca 0.14 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1ng1 h SER 6 Cb 0.38 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 1ng1 h SER 6 CO 0.01 -0.08 0.00 0.00 -1.14 0.00 0.00 176.83 175.62 1ng1 h ALA 7 N 0.93 0.17 -0.30 3.77 0.00 -1.04 -1.57 119.26 121.22 1ng1 h ALA 7 Ca 0.03 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ng1 h ALA 7 Cb 0.12 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ng1 h ALA 7 CO -0.07 -0.43 0.06 0.00 0.00 0.00 0.00 179.25 178.81 1ng1 h ARG 8 N 0.07 0.49 -0.64 0.00 3.08 -1.11 0.07 114.38 116.34 1ng1 h ARG 8 Ca 0.09 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1ng1 h ARG 8 Cb 0.11 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1ng1 h ARG 8 CO -0.15 0.58 0.38 -0.07 -1.07 0.00 0.00 179.97 179.64 1ng1 h LEU 9 N 0.32 0.77 -0.49 3.04 3.38 -0.89 -0.10 115.31 121.34 1ng1 h LEU 9 Ca 0.09 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1ng1 h LEU 9 Cb 0.32 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1ng1 h LEU 9 CO 0.00 0.61 -0.13 1.56 0.09 0.00 0.00 178.44 180.58 1ng1 h GLN 10 N 0.87 0.95 -0.29 1.13 4.20 -1.20 -1.75 115.11 119.02 1ng1 h GLN 10 Ca 0.23 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1ng1 h GLN 10 Cb -0.02 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1ng1 h GLN 10 CO -0.04 1.03 0.12 1.49 -0.67 0.00 0.00 178.83 180.76 1ng1 h GLU 11 N 0.80 0.43 -0.49 1.46 4.22 -0.65 -0.28 114.58 120.07 1ng1 h GLU 11 Ca 0.12 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.49 1ng1 h GLU 11 Cb 0.69 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1ng1 h GLU 11 CO 0.05 0.43 0.32 0.00 -2.18 0.00 0.00 179.01 177.63 1ng1 h ALA 12 N 0.97 0.62 -0.56 2.92 0.00 -0.94 -2.80 119.26 119.47 1ng1 h ALA 12 Ca 0.10 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1ng1 h ALA 12 Cb 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ng1 h ALA 12 CO -0.01 0.07 -0.07 0.82 0.00 0.00 0.00 179.25 180.06 1ng1 h ILE 13 N 0.66 1.27 0.00 0.00 2.04 -1.19 -2.97 117.51 117.31 1ng1 h ILE 13 Ca 0.18 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1ng1 h ILE 13 Cb -0.07 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1ng1 h ILE 13 CO -0.04 0.43 0.00 1.23 0.00 0.00 0.00 178.15 179.78 1ng1 h GLY 14 N 0.96 0.00 2.00 5.37 0.00 -0.78 -1.76 103.07 108.86 1ng1 h GLY 14 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1ng1 h GLY 14 CO 0.04 0.00 -0.05 3.21 0.00 0.00 0.00 176.54 179.74 1ng1 h ARG 15 N 0.00 0.00 -0.12 4.80 3.08 -1.37 -0.83 114.38 119.94 1ng1 h ARG 15 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ng1 h ARG 15 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1ng1 h ARG 15 CO 0.00 0.05 0.00 1.28 -1.07 0.00 0.00 179.97 180.23 1ng1 n LEU 16 N -3.44 1.99 -4.91 3.04 4.77 -0.66 -4.94 117.00 112.86 1ng1 n LEU 16 Ca -0.02 -0.76 -0.32 0.00 -0.03 0.00 0.00 56.01 54.88 1ng1 n LEU 16 Cb 0.18 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1ng1 n LEU 16 CO 0.26 0.38 -0.15 -0.60 -1.33 0.00 0.00 177.39 175.96 1ng1 s ARG 17 N -1.86 3.45 -1.29 3.23 3.52 -0.32 -3.72 118.95 121.96 1ng1 s ARG 17 Ca 0.35 -0.36 -0.02 0.00 -0.13 0.00 0.00 55.73 55.57 1ng1 s ARG 17 Cb 0.20 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 1ng1 s ARG 17 CO 0.30 0.64 0.22 0.41 -0.81 0.00 0.00 175.30 176.06 1ng1 n GLY 18 N 0.64 -0.27 1.75 8.12 0.00 -1.26 -4.91 105.19 109.25 1ng1 n GLY 18 Ca -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 1ng1 n GLY 18 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ng1 n ARG 19 N -2.89 0.49 0.00 1.61 1.85 -1.26 -5.14 116.66 111.32 1ng1 n ARG 19 Ca -0.14 -1.87 0.00 0.00 -1.00 0.00 0.00 57.85 54.84 1ng1 n ARG 19 Cb 0.62 -0.08 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 1ng1 n ARG 19 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ng1 n GLY 20 N -0.12 -1.08 3.74 2.89 0.00 -1.26 -4.80 105.19 104.57 1ng1 n GLY 20 Ca -0.07 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 1ng1 n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ng1 s ARG 21 N 0.00 2.85 0.22 1.61 0.52 -1.26 -4.81 118.95 118.07 1ng1 s ARG 21 Ca 0.00 2.16 0.08 0.00 -0.52 0.00 0.00 55.73 57.45 1ng1 s ARG 21 Cb 0.00 -2.05 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 1ng1 s ARG 21 CO 0.00 -1.40 0.03 0.96 0.02 0.00 0.00 175.30 174.92 1ng1 s ILE 22 N -1.34 3.75 0.47 1.52 -4.36 -1.26 -5.13 121.20 114.85 1ng1 s ILE 22 Ca 0.77 -1.59 -0.02 0.00 -0.26 0.00 0.00 60.65 59.55 1ng1 s ILE 22 Cb -0.39 -2.96 -0.01 0.00 1.25 0.00 0.00 42.46 40.35 1ng1 s ILE 22 CO 0.44 -0.25 0.72 0.42 0.24 0.00 0.00 174.94 176.51 1ng1 s THR 23 N -2.01 4.22 0.28 8.37 -4.23 -1.26 -4.73 115.64 116.27 1ng1 s THR 23 Ca 0.30 -0.28 0.30 0.00 -1.18 0.00 0.00 61.69 60.82 1ng1 s THR 23 Cb -0.08 -3.58 0.32 0.00 1.34 0.00 0.00 72.50 70.50 1ng1 s THR 23 CO 0.20 -0.47 2.01 1.05 -0.54 0.00 0.00 174.62 176.87 1ng1 h GLU 24 N 0.30 0.00 0.00 3.99 4.11 -1.99 0.09 114.58 121.09 1ng1 h GLU 24 Ca -0.47 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.86 1ng1 h GLU 24 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1ng1 h GLU 24 CO 0.59 0.11 -0.52 0.93 0.07 0.00 0.00 179.01 180.19 1ng1 h GLU 25 N 0.00 0.00 -0.22 1.06 4.39 -1.98 0.29 114.58 118.12 1ng1 h GLU 25 Ca -0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1ng1 h GLU 25 Cb 0.46 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1ng1 h GLU 25 CO 0.01 0.52 -0.09 -0.44 -1.16 0.00 0.00 179.01 177.85 1ng1 h ASP 26 N 0.00 0.46 -0.24 1.42 3.32 -1.39 -2.16 116.42 117.82 1ng1 h ASP 26 Ca -0.01 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 1ng1 h ASP 26 Cb 0.91 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1ng1 h ASP 26 CO 0.07 0.76 0.12 0.25 -1.72 0.00 0.00 179.24 178.71 1ng1 h LEU 27 N 0.16 0.32 -1.02 1.55 5.85 -0.81 -2.78 115.31 118.57 1ng1 h LEU 27 Ca 0.05 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.71 1ng1 h LEU 27 Cb 0.58 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 1ng1 h LEU 27 CO 0.03 0.36 0.65 0.11 -0.34 0.00 0.00 178.44 179.24 1ng1 h LYS 28 N 0.26 1.13 -0.68 1.25 1.57 -0.39 0.29 116.57 120.00 1ng1 h LYS 28 Ca 0.08 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1ng1 h LYS 28 Cb 0.12 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1ng1 h LYS 28 CO -0.01 0.75 0.36 0.00 -0.57 0.00 0.00 179.45 179.98 1ng1 h ALA 29 N 1.46 0.87 -0.41 3.86 0.00 -1.16 -0.07 119.26 123.82 1ng1 h ALA 29 Ca 0.43 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 1ng1 h ALA 29 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ng1 h ALA 29 CO -0.17 0.40 -0.28 1.15 0.00 0.00 0.00 179.25 180.35 1ng1 h THR 30 N 0.94 1.27 -0.60 0.00 2.02 -1.11 -2.34 112.91 113.09 1ng1 h THR 30 Ca 0.24 -1.44 -0.06 0.00 0.77 0.00 0.00 66.41 65.92 1ng1 h THR 30 Cb 0.06 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1ng1 h THR 30 CO -0.04 0.48 0.12 -0.07 0.37 0.00 0.00 175.52 176.38 1ng1 h LEU 31 N 0.75 0.89 -0.61 2.58 3.38 -0.52 -0.95 115.31 120.83 1ng1 h LEU 31 Ca 0.09 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1ng1 h LEU 31 Cb 0.84 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1ng1 h LEU 31 CO 0.07 0.89 -0.22 0.03 0.09 0.00 0.00 178.44 179.30 1ng1 h ARG 32 N 0.90 0.87 -0.60 1.13 3.08 -0.90 -1.36 114.38 117.48 1ng1 h ARG 32 Ca 0.19 -0.36 -0.09 0.00 0.07 0.00 0.00 59.98 59.79 1ng1 h ARG 32 Cb 0.36 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1ng1 h ARG 32 CO 0.01 1.00 0.02 0.93 -1.07 0.00 0.00 179.97 180.86 1ng1 h GLU 33 N 0.75 1.04 -0.44 0.04 5.08 -1.05 -0.82 114.58 119.18 1ng1 h GLU 33 Ca 0.10 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1ng1 h GLU 33 Cb 0.76 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1ng1 h GLU 33 CO 0.06 1.00 0.19 0.82 -1.00 0.00 0.00 179.01 180.08 1ng1 h ILE 34 N 0.96 1.19 -0.53 3.13 2.04 -0.97 0.50 117.51 123.83 1ng1 h ILE 34 Ca 0.18 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.47 1ng1 h ILE 34 Cb 0.52 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1ng1 h ILE 34 CO 0.03 0.22 0.33 -0.09 0.00 0.00 0.00 178.15 178.63 1ng1 h ARG 35 N 0.57 0.64 -0.60 2.37 2.43 -0.92 -1.13 114.38 117.75 1ng1 h ARG 35 Ca 0.15 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1ng1 h ARG 35 Cb 0.16 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1ng1 h ARG 35 CO -0.01 0.42 0.22 -0.09 -1.51 0.00 0.00 179.97 179.00 1ng1 h ARG 36 N 0.66 0.88 -0.47 0.20 9.65 -0.82 -1.54 114.38 122.93 1ng1 h ARG 36 Ca 0.21 -0.14 -0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1ng1 h ARG 36 Cb -0.00 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.40 1ng1 h ARG 36 CO -0.08 0.73 0.28 0.00 2.80 0.00 0.00 179.97 183.70 1ng1 h ALA 37 N 1.38 0.61 -0.26 2.80 0.00 0.18 -0.96 119.26 123.01 1ng1 h ALA 37 Ca 0.20 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1ng1 h ALA 37 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ng1 h ALA 37 CO -0.02 0.10 -0.02 -0.07 0.00 0.00 0.00 179.25 179.25 1ng1 h LEU 38 N 0.63 0.48 -1.25 0.00 3.38 -0.91 -1.80 115.31 115.84 1ng1 h LEU 38 Ca 0.17 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1ng1 h LEU 38 Cb 0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1ng1 h LEU 38 CO -0.03 0.69 0.42 0.24 0.09 0.00 0.00 178.44 179.85 1ng1 h MET 39 N 0.25 0.93 0.00 1.13 2.86 -1.14 -1.38 114.93 117.59 1ng1 h MET 39 Ca 0.07 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1ng1 h MET 39 Cb 0.46 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1ng1 h MET 39 CO 0.02 0.65 -0.14 -0.44 1.06 0.00 0.00 176.91 178.06 1ng1 h ASP 40 N 0.95 0.00 -0.19 1.22 3.32 -1.03 -2.71 116.42 117.99 1ng1 h ASP 40 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1ng1 h ASP 40 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1ng1 h ASP 40 CO -0.05 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 1ng1 n ALA 41 N -2.16 2.51 -3.00 3.45 0.00 -0.57 -4.91 120.51 115.83 1ng1 n ALA 41 Ca 0.01 -0.46 -0.15 0.00 0.00 0.00 0.00 53.44 52.84 1ng1 n ALA 41 Cb 0.45 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 18.86 1ng1 n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ng1 n ASP 42 N 0.18 -4.71 -4.80 0.00 2.03 -1.02 -1.30 116.55 106.94 1ng1 n ASP 42 Ca 0.13 -0.28 -0.39 0.00 0.52 0.00 0.00 54.79 54.78 1ng1 n ASP 42 Cb 0.26 -3.42 -0.06 0.00 -0.72 0.00 0.00 41.12 37.18 1ng1 n ASP 42 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ng1 s VAL 43 N -3.09 4.67 0.20 5.18 1.01 -0.92 -4.15 120.40 123.30 1ng1 s VAL 43 Ca 0.30 1.35 -0.31 0.00 0.00 0.00 0.00 61.98 63.32 1ng1 s VAL 43 Cb -0.13 -3.97 -0.16 0.00 0.00 0.00 0.00 36.38 32.12 1ng1 s VAL 43 CO 0.37 0.53 0.93 -3.20 0.00 0.00 0.00 175.10 173.73 1ng1 n ASN 44 N 1.83 0.53 0.03 3.32 2.85 -1.26 -4.71 115.26 117.84 1ng1 n ASN 44 Ca -0.09 1.15 -0.10 0.00 -0.11 0.00 0.00 54.58 55.43 1ng1 n ASN 44 Cb 0.50 -1.15 -0.04 0.00 1.24 0.00 0.00 39.78 40.34 1ng1 n ASN 44 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1ng1 h LEU 45 N 2.26 -0.75 -1.03 1.20 5.85 -1.99 0.30 115.31 121.16 1ng1 h LEU 45 Ca -0.39 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1ng1 h LEU 45 Cb 1.37 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 42.68 1ng1 h LEU 45 CO 0.63 -0.31 0.56 -0.08 -0.34 0.00 0.00 178.44 178.91 1ng1 h GLU 46 N -0.34 1.23 -0.49 1.25 4.57 -1.99 0.09 114.58 118.89 1ng1 h GLU 46 Ca 0.08 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 1ng1 h GLU 46 Cb 0.47 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1ng1 h GLU 46 CO -0.27 0.85 0.20 0.28 -1.18 0.00 0.00 179.01 178.88 1ng1 h VAL 47 N 1.25 1.21 -0.45 0.32 2.07 -1.80 -0.72 116.25 118.14 1ng1 h VAL 47 Ca 0.33 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1ng1 h VAL 47 Cb -0.07 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1ng1 h VAL 47 CO -0.06 0.25 0.15 0.00 0.02 0.00 0.00 177.57 177.93 1ng1 h ALA 48 N 1.04 0.59 -0.03 1.67 0.00 -0.30 0.25 119.26 122.48 1ng1 h ALA 48 Ca 0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ng1 h ALA 48 Cb 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ng1 h ALA 48 CO -0.01 0.23 0.02 0.00 0.00 0.00 0.00 179.25 179.48 1ng1 h ARG 49 N 0.59 0.05 -0.56 0.00 2.47 -0.82 -2.35 114.38 113.76 1ng1 h ARG 49 Ca 0.15 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.87 1ng1 h ARG 49 Cb 0.24 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.53 1ng1 h ARG 49 CO -0.01 0.12 0.37 -0.44 0.56 0.00 0.00 179.97 180.57 1ng1 h ASP 50 N -0.03 0.64 0.03 7.04 3.32 -1.05 -1.35 116.42 125.02 1ng1 h ASP 50 Ca 0.01 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1ng1 h ASP 50 Cb 0.08 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1ng1 h ASP 50 CO -0.00 0.46 -0.33 0.15 -1.72 0.00 0.00 179.24 177.80 1ng1 h PHE 51 N 0.76 -0.96 -0.70 4.55 3.04 -0.73 -1.78 116.94 121.12 1ng1 h PHE 51 Ca 0.20 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.17 1ng1 h PHE 51 Cb -0.09 0.41 -0.03 0.00 2.56 0.00 0.00 35.95 38.80 1ng1 h PHE 51 CO -0.04 -0.36 0.40 0.28 -2.02 0.00 0.00 178.31 176.57 1ng1 h VAL 52 N -0.43 1.20 -0.29 1.41 2.07 -1.41 -2.19 116.25 116.61 1ng1 h VAL 52 Ca 0.00 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.08 1ng1 h VAL 52 Cb 0.45 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1ng1 h VAL 52 CO -0.20 0.22 0.05 -0.08 0.02 0.00 0.00 177.57 177.58 1ng1 h GLU 53 N 0.97 0.15 0.00 1.57 4.22 -0.86 -1.48 114.58 119.16 1ng1 h GLU 53 Ca 0.25 -0.01 -0.15 0.00 0.08 0.00 0.00 59.36 59.53 1ng1 h GLU 53 Cb -0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1ng1 h GLU 53 CO -0.04 0.10 -0.72 0.07 -2.18 0.00 0.00 179.01 176.24 1ng1 h ARG 54 N 0.16 0.00 -0.34 1.92 0.11 -1.15 -1.41 114.38 113.66 1ng1 h ARG 54 Ca 0.14 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.21 1ng1 h ARG 54 Cb 0.15 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.21 1ng1 h ARG 54 CO -0.18 0.72 0.17 0.28 0.10 0.00 0.00 179.97 181.06 1ng1 h VAL 55 N 0.00 1.16 0.41 0.08 2.07 -1.02 0.32 116.25 119.27 1ng1 h VAL 55 Ca -0.01 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1ng1 h VAL 55 Cb 1.29 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1ng1 h VAL 55 CO 0.09 0.16 -0.20 -0.09 0.02 0.00 0.00 177.57 177.56 1ng1 h ARG 56 N 0.42 -0.53 -0.49 1.57 2.43 -1.24 -1.85 114.38 114.70 1ng1 h ARG 56 Ca 0.12 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1ng1 h ARG 56 Cb 0.10 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1ng1 h ARG 56 CO -0.02 -0.23 0.20 0.93 -1.51 0.00 0.00 179.97 179.35 1ng1 h GLU 57 N -0.83 0.69 -0.09 0.20 4.39 -1.21 -0.95 114.58 116.79 1ng1 h GLU 57 Ca -0.06 -0.09 -0.22 0.00 0.34 0.00 0.00 59.36 59.33 1ng1 h GLU 57 Cb 0.54 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1ng1 h GLU 57 CO 0.09 0.57 -0.80 1.49 -1.16 0.00 0.00 179.01 179.20 1ng1 h GLU 58 N 0.69 0.70 -0.47 2.33 4.81 -0.39 -2.05 114.58 120.20 1ng1 h GLU 58 Ca 0.17 -0.63 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ng1 h GLU 58 Cb 0.13 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1ng1 h GLU 58 CO -0.02 1.24 0.29 0.00 -0.73 0.00 0.00 179.01 179.79 1ng1 h ALA 59 N 0.48 0.59 -0.39 2.92 0.00 -1.08 -1.48 119.26 120.29 1ng1 h ALA 59 Ca -0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1ng1 h ALA 59 Cb 1.45 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1ng1 h ALA 59 CO 0.16 0.07 0.06 -0.07 0.00 0.00 0.00 179.25 179.47 1ng1 h LEU 60 N 0.63 0.55 -1.20 0.00 3.38 -1.19 -0.97 115.31 116.52 1ng1 h LEU 60 Ca 0.17 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ng1 h LEU 60 Cb -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1ng1 h LEU 60 CO -0.03 0.58 0.00 1.23 0.09 0.00 0.00 178.44 180.31 1ng1 h GLY 61 N 0.84 0.00 -3.61 0.83 0.00 -0.65 -2.32 103.07 98.15 1ng1 h GLY 61 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.20 1ng1 h GLY 61 CO 0.00 0.00 0.31 0.28 0.00 0.00 0.00 176.54 177.14 1ng1 n LYS 62 N -2.89 3.41 -4.05 4.80 5.02 -0.44 -4.94 118.16 119.08 1ng1 n LYS 62 Ca 0.01 -3.08 -0.30 0.00 -2.02 0.00 0.00 58.31 52.92 1ng1 n LYS 62 Cb 0.30 -2.19 -0.02 0.00 -0.02 0.00 0.00 35.03 33.10 1ng1 n LYS 62 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1ng1 n GLN 63 N -0.36 -3.44 -0.14 1.97 3.00 -0.87 -4.86 117.38 112.68 1ng1 n GLN 63 Ca 0.43 0.41 0.11 0.00 -0.01 0.00 0.00 57.00 57.94 1ng1 n GLN 63 Cb 1.41 -4.80 0.45 0.00 0.00 0.00 0.00 30.24 27.30 1ng1 n GLN 63 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 1ng1 h VAL 64 N -1.74 0.91 0.00 5.09 3.04 -1.57 -0.25 116.25 121.72 1ng1 h VAL 64 Ca -0.61 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 64.90 1ng1 h VAL 64 Cb 1.38 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1ng1 h VAL 64 CO 0.68 0.10 0.00 0.18 -1.01 0.00 0.00 177.57 177.52 1ng1 n LEU 65 N -4.48 0.00 -0.00 3.16 4.77 -1.26 -2.70 117.00 116.49 1ng1 n LEU 65 Ca 0.11 0.31 0.02 0.00 -0.03 0.00 0.00 56.01 56.43 1ng1 n LEU 65 Cb 0.36 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1ng1 n LEU 65 CO 0.33 -0.11 -0.02 -0.62 -1.33 0.00 0.00 177.39 175.65 1ng1 n GLU 66 N -1.31 5.20 -2.32 3.23 1.02 -0.16 -4.61 120.64 121.69 1ng1 n GLU 66 Ca 0.09 -0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.85 1ng1 n GLU 66 Cb 0.17 -0.75 -0.02 0.00 -0.02 0.00 0.00 31.44 30.81 1ng1 n GLU 66 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ng1 s SER 67 N -1.51 6.40 0.00 1.62 0.15 -0.85 -4.93 113.70 114.58 1ng1 s SER 67 Ca 0.02 2.28 0.27 0.00 0.70 0.00 0.00 55.95 59.22 1ng1 s SER 67 Cb 0.04 -2.60 0.91 0.00 -1.71 0.00 0.00 66.02 62.65 1ng1 s SER 67 CO 0.22 -0.75 1.66 0.18 1.20 0.00 0.00 173.24 175.74 1ng1 n LEU 68 N -0.20 1.34 -3.17 3.45 4.77 -1.26 -4.06 117.00 117.87 1ng1 n LEU 68 Ca 0.06 -0.41 -0.18 0.00 -0.03 0.00 0.00 56.01 55.44 1ng1 n LEU 68 Cb 0.48 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1ng1 n LEU 68 CO 0.48 0.23 -0.21 0.35 -1.33 0.00 0.00 177.39 176.91 1ng1 n THR 69 N -0.14 -0.21 0.07 -5.08 -2.24 -1.26 -4.77 114.28 100.65 1ng1 n THR 69 Ca 0.16 -4.41 0.08 0.00 -2.27 0.00 0.00 64.05 57.61 1ng1 n THR 69 Cb 0.36 -0.33 0.53 0.00 -2.10 0.00 0.00 70.33 68.79 1ng1 n THR 69 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1ng1 h PRO 70 N 3.09 0.29 -0.06 -0.78 0.13 -1.81 -2.11 132.00 130.75 1ng1 h PRO 70 Ca 0.09 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.14 1ng1 h PRO 70 Cb 0.97 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1ng1 h PRO 70 CO 0.48 0.19 -0.24 0.00 -0.23 0.00 0.00 178.00 178.20 1ng1 h ALA 71 N 1.82 1.48 -0.15 -0.56 0.00 -1.86 -1.37 119.26 118.63 1ng1 h ALA 71 Ca 0.13 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1ng1 h ALA 71 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ng1 h ALA 71 CO -0.03 0.37 -0.61 0.93 0.00 0.00 0.00 179.25 179.92 1ng1 h GLU 72 N 0.10 0.51 -0.18 0.00 3.07 -1.74 -0.84 114.58 115.50 1ng1 h GLU 72 Ca 0.02 -0.35 -0.02 0.00 -0.50 0.00 0.00 59.36 58.50 1ng1 h GLU 72 Cb 0.49 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1ng1 h GLU 72 CO 0.03 0.97 0.02 0.28 -1.40 0.00 0.00 179.01 178.91 1ng1 h VAL 73 N 0.38 1.23 -0.70 3.13 2.07 -1.31 -1.75 116.25 119.31 1ng1 h VAL 73 Ca -0.01 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1ng1 h VAL 73 Cb 1.16 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1ng1 h VAL 73 CO 0.11 0.23 0.23 0.40 0.02 0.00 0.00 177.57 178.56 1ng1 h ILE 74 N 0.07 1.25 -0.67 4.57 1.08 -1.24 -1.34 117.51 121.23 1ng1 h ILE 74 Ca 0.05 -0.85 0.01 0.00 -0.39 0.00 0.00 64.86 63.68 1ng1 h ILE 74 Cb 0.34 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 1ng1 h ILE 74 CO 0.01 0.33 0.45 0.25 -0.69 0.00 0.00 178.15 178.50 1ng1 h LEU 75 N 1.03 0.77 -0.41 1.44 5.85 -1.01 0.21 115.31 123.19 1ng1 h LEU 75 Ca 0.23 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1ng1 h LEU 75 Cb 0.27 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1ng1 h LEU 75 CO -0.01 0.56 0.13 0.00 -0.34 0.00 0.00 178.44 178.78 1ng1 h ALA 76 N 1.25 0.54 0.00 1.25 0.00 -0.79 -0.42 119.26 121.09 1ng1 h ALA 76 Ca 0.25 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1ng1 h ALA 76 Cb -0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1ng1 h ALA 76 CO -0.05 0.18 -0.52 1.79 0.00 0.00 0.00 179.25 180.65 1ng1 h THR 77 N 0.52 1.26 -0.00 0.00 1.35 -0.93 -2.02 112.91 113.09 1ng1 h THR 77 Ca 0.13 -1.84 -0.15 0.00 -0.55 0.00 0.00 66.41 64.00 1ng1 h THR 77 Cb 0.26 2.03 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 1ng1 h THR 77 CO -0.00 0.51 -0.71 0.58 -0.25 0.00 0.00 175.52 175.65 1ng1 h VAL 78 N 0.00 1.50 -0.40 6.82 2.07 -0.37 -1.97 116.25 123.89 1ng1 h VAL 78 Ca -0.01 -2.39 -0.11 0.00 0.82 0.00 0.00 66.70 65.01 1ng1 h VAL 78 Cb 0.98 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1ng1 h VAL 78 CO 0.07 0.68 -0.20 0.22 0.02 0.00 0.00 177.57 178.37 1ng1 h TYR 79 N 0.02 0.96 -0.23 1.57 3.20 -0.68 -1.18 116.97 120.63 1ng1 h TYR 79 Ca -0.01 -0.24 -0.13 0.00 3.14 0.00 0.00 58.73 61.49 1ng1 h TYR 79 Cb 1.25 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1ng1 h TYR 79 CO 0.00 1.01 -0.39 0.93 -1.64 0.00 0.00 178.16 178.07 1ng1 h GLU 80 N 0.65 0.52 -0.43 1.82 4.39 -1.27 -0.17 114.58 120.09 1ng1 h GLU 80 Ca 0.09 -0.26 -0.09 0.00 0.34 0.00 0.00 59.36 59.44 1ng1 h GLU 80 Cb 0.75 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1ng1 h GLU 80 CO 0.06 0.83 -0.10 0.00 -1.16 0.00 0.00 179.01 178.64 1ng1 h ALA 81 N 1.15 0.59 -0.26 3.43 0.00 -1.26 -1.99 119.26 120.92 1ng1 h ALA 81 Ca 0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1ng1 h ALA 81 Cb 0.87 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ng1 h ALA 81 CO 0.07 0.47 0.06 1.25 0.00 0.00 0.00 179.25 181.10 1ng1 h LEU 82 N 0.65 0.39 -0.70 0.00 5.85 -1.07 -2.53 115.31 117.90 1ng1 h LEU 82 Ca 0.11 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1ng1 h LEU 82 Cb 0.63 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1ng1 h LEU 82 CO 0.04 0.52 0.40 0.50 -0.34 0.00 0.00 178.44 179.56 1ng1 h LYS 83 N 0.24 0.72 0.04 1.25 3.64 -0.95 -1.28 116.57 120.24 1ng1 h LYS 83 Ca 0.08 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1ng1 h LYS 83 Cb 0.28 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1ng1 h LYS 83 CO 0.00 0.47 -0.02 1.49 -2.27 0.00 0.00 179.45 179.12 1ng1 h GLU 84 N 0.74 -0.06 -0.64 1.90 4.81 -1.26 0.38 114.58 120.44 1ng1 h GLU 84 Ca 0.31 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.60 1ng1 h GLU 84 Cb 0.18 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1ng1 h GLU 84 CO -0.18 0.07 0.42 0.00 -0.73 0.00 0.00 179.01 178.60 1ng1 h ALA 85 N 0.77 1.76 0.00 2.92 0.00 -1.12 -1.87 119.26 121.72 1ng1 h ALA 85 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ng1 h ALA 85 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ng1 h ALA 85 CO 0.01 0.15 -0.12 1.28 0.00 0.00 0.00 179.25 180.57 1ng1 n LEU 86 N -4.47 0.35 0.00 0.00 4.77 -0.51 -4.42 117.00 112.72 1ng1 n LEU 86 Ca 0.09 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1ng1 n LEU 86 Cb 0.22 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1ng1 n LEU 86 CO 0.34 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1ng1 n GLY 87 N 1.43 0.82 7.00 -0.72 0.00 -0.70 -4.72 105.19 108.30 1ng1 n GLY 87 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ng1 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ng1 n GLY 88 N 0.00 1.23 3.77 -0.02 0.00 0.07 -4.71 105.19 105.53 1ng1 n GLY 88 Ca 0.00 0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 1ng1 n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ng1 s GLU 89 N 0.00 4.38 0.51 1.61 2.02 -1.26 -4.18 118.70 121.78 1ng1 s GLU 89 Ca 0.00 0.89 -0.23 0.00 0.02 0.00 0.00 54.97 55.66 1ng1 s GLU 89 Cb 0.00 -3.31 -0.06 0.00 0.10 0.00 0.00 34.13 30.86 1ng1 s GLU 89 CO 0.00 0.44 1.33 0.00 0.02 0.00 0.00 175.26 177.05 1ng1 s ALA 90 N -0.51 2.94 0.02 5.21 0.00 -1.26 -4.88 121.76 123.28 1ng1 s ALA 90 Ca 0.33 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.59 1ng1 s ALA 90 Cb -0.20 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 1ng1 s ALA 90 CO 0.21 -1.18 -0.07 1.03 0.00 0.00 0.00 175.76 175.75 1ng1 s ARG 91 N -2.75 0.51 0.01 0.00 0.52 -1.26 -5.07 118.95 110.91 1ng1 s ARG 91 Ca 0.67 -0.45 -0.05 0.00 -0.52 0.00 0.00 55.73 55.39 1ng1 s ARG 91 Cb -0.39 -0.41 -0.01 0.00 0.52 0.00 0.00 34.95 34.67 1ng1 s ARG 91 CO 0.47 0.10 0.07 -0.51 0.02 0.00 0.00 175.30 175.45 1ng1 s LEU 92 N -0.76 1.82 0.56 2.53 1.43 -1.26 -4.51 118.68 118.50 1ng1 s LEU 92 Ca -0.03 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 52.53 1ng1 s LEU 92 Cb -0.06 0.46 -0.04 0.00 0.03 0.00 0.00 46.19 46.58 1ng1 s LEU 92 CO 0.00 -0.35 1.36 -2.65 0.23 0.00 0.00 176.35 174.93 1ng1 n PRO 93 N 1.47 1.62 -3.35 1.29 -0.02 -1.26 -4.94 135.00 129.80 1ng1 n PRO 93 Ca -0.23 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 1ng1 n PRO 93 Cb 0.55 -2.58 -0.09 0.00 -0.02 0.00 0.00 33.50 31.37 1ng1 n PRO 93 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ng1 s VAL 94 N -1.30 5.12 0.35 -1.45 1.01 -1.26 -5.06 120.40 117.81 1ng1 s VAL 94 Ca 0.73 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.44 1ng1 s VAL 94 Cb -0.41 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 31.94 1ng1 s VAL 94 CO 0.48 -0.25 0.80 -0.76 0.00 0.00 0.00 175.10 175.37 1ng1 s LEU 95 N 2.10 4.06 0.00 3.92 1.02 -1.26 -5.08 118.68 123.44 1ng1 s LEU 95 Ca 0.12 1.42 0.00 0.00 0.02 0.00 0.00 54.13 55.70 1ng1 s LEU 95 Cb -0.17 -4.17 0.00 0.00 0.02 0.00 0.00 46.19 41.87 1ng1 s LEU 95 CO 0.13 -0.23 0.00 2.29 0.02 0.00 0.00 176.35 178.56 1ng1 n LYS 96 N -0.34 2.22 -0.23 1.70 2.85 -1.26 -5.04 118.16 118.07 1ng1 n LYS 96 Ca 0.04 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.23 1ng1 n LYS 96 Cb 0.53 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.95 1ng1 n LYS 96 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1ng1 h ASP 97 N 0.00 0.91 -3.28 -5.58 5.19 -1.98 -3.41 116.42 108.27 1ng1 h ASP 97 Ca 0.00 -0.19 -0.67 0.00 -0.62 0.00 0.00 57.03 55.55 1ng1 h ASP 97 Cb 0.00 -0.24 -0.30 0.00 0.18 0.00 0.00 39.33 38.97 1ng1 h ASP 97 CO 0.00 0.86 -0.81 -0.60 -3.12 0.00 0.00 179.24 175.56 1ng1 s ARG 98 N -5.46 3.20 -0.09 3.56 3.00 -1.26 -4.73 118.95 117.17 1ng1 s ARG 98 Ca -0.13 -0.77 -0.02 0.00 -1.00 0.00 0.00 55.73 53.82 1ng1 s ARG 98 Cb 0.13 -2.57 0.03 0.00 0.00 0.00 0.00 34.95 32.55 1ng1 s ARG 98 CO 0.81 0.07 0.00 -0.80 0.00 0.00 0.00 175.30 175.38 1ng1 s ASN 99 N 0.68 1.76 -0.21 -2.12 0.01 -0.75 -5.02 114.94 109.28 1ng1 s ASN 99 Ca -0.08 -0.18 0.01 0.00 -0.71 0.00 0.00 52.86 51.90 1ng1 s ASN 99 Cb -0.16 -0.47 0.04 0.00 0.41 0.00 0.00 41.25 41.07 1ng1 s ASN 99 CO 0.02 -0.21 -0.14 -0.22 -1.51 0.00 0.00 177.10 175.05 1ng1 s LEU 100 N 1.95 2.52 0.08 0.60 0.20 -1.26 -0.26 118.68 122.52 1ng1 s LEU 100 Ca 0.04 -0.93 0.07 0.00 0.69 0.00 0.00 54.13 54.00 1ng1 s LEU 100 Cb -0.13 -1.39 -0.04 0.00 -0.43 0.00 0.00 46.19 44.20 1ng1 s LEU 100 CO -0.06 -0.11 -0.12 0.26 -0.29 0.00 0.00 176.35 176.04 1ng1 s TRP 101 N 1.29 2.70 -0.09 5.38 0.51 0.73 0.67 118.94 130.12 1ng1 s TRP 101 Ca -0.01 -0.17 -0.01 0.00 -2.12 0.00 0.00 56.10 53.79 1ng1 s TRP 101 Cb -0.16 -1.45 -0.03 0.00 -0.81 0.00 0.00 33.47 31.02 1ng1 s TRP 101 CO -0.09 0.38 -0.05 -0.06 -0.51 0.00 0.00 176.95 176.62 1ng1 s PHE 102 N -1.12 3.00 -0.26 -1.98 0.40 -0.52 -0.67 117.98 116.82 1ng1 s PHE 102 Ca 0.19 -0.03 -0.04 0.00 -0.60 0.00 0.00 56.93 56.45 1ng1 s PHE 102 Cb -0.11 -1.78 0.02 0.00 0.51 0.00 0.00 43.02 41.65 1ng1 s PHE 102 CO 0.11 0.26 -0.01 -0.51 0.70 0.00 0.00 175.22 175.77 1ng1 s LEU 103 N -0.53 3.39 0.24 -0.37 1.02 -0.12 -0.35 118.68 121.95 1ng1 s LEU 103 Ca 0.08 -0.78 0.10 0.00 0.02 0.00 0.00 54.13 53.56 1ng1 s LEU 103 Cb -0.12 -1.74 -0.05 0.00 0.02 0.00 0.00 46.19 44.30 1ng1 s LEU 103 CO 0.02 -0.14 -0.18 0.68 0.02 0.00 0.00 176.35 176.75 1ng1 s VAL 104 N 1.40 2.19 0.00 -1.59 -7.23 0.16 -2.66 120.40 112.67 1ng1 s VAL 104 Ca 0.01 -2.29 0.00 0.00 -1.81 0.00 0.00 61.98 57.89 1ng1 s VAL 104 Cb -0.17 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.60 1ng1 s VAL 104 CO -0.02 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 1ng1 n GLY 105 N -0.43 2.34 3.71 2.32 0.00 -1.26 -0.30 105.19 111.57 1ng1 n GLY 105 Ca -0.07 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 1ng1 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ng1 s LEU 106 N 0.00 2.06 0.38 0.99 1.43 -1.26 -4.55 118.68 117.73 1ng1 s LEU 106 Ca 0.00 1.39 -0.27 0.00 -1.03 0.00 0.00 54.13 54.22 1ng1 s LEU 106 Cb 0.00 -3.74 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 1ng1 s LEU 106 CO 0.00 -2.78 1.30 -1.58 0.23 0.00 0.00 176.35 173.52 1ng1 s GLN 107 N -4.95 4.10 0.00 1.70 0.74 -0.37 -2.60 119.66 118.28 1ng1 s GLN 107 Ca 0.64 2.16 0.00 0.00 0.05 0.00 0.00 55.36 58.21 1ng1 s GLN 107 Cb -0.18 -2.86 0.00 0.00 1.10 0.00 0.00 33.01 31.07 1ng1 s GLN 107 CO 0.57 -0.38 0.00 0.41 -0.55 0.00 0.00 175.29 175.34 1ng1 n GLY 108 N 0.70 1.41 0.24 2.59 0.00 -1.26 -4.76 105.19 104.11 1ng1 n GLY 108 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 1ng1 n GLY 108 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ng1 h SER 109 N 0.00 0.00 0.00 1.61 4.64 -1.83 -3.47 113.55 114.50 1ng1 h SER 109 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ng1 h SER 109 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ng1 h SER 109 CO 0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1ng1 n GLY 110 N 0.54 1.62 0.30 -0.77 0.00 -1.26 -3.97 105.19 101.64 1ng1 n GLY 110 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1ng1 n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ng1 h LYS 111 N 0.08 -0.54 -0.63 1.61 1.57 -1.91 -0.56 116.57 116.20 1ng1 h LYS 111 Ca 0.00 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1ng1 h LYS 111 Cb 0.00 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1ng1 h LYS 111 CO 0.00 -0.36 0.32 1.15 -0.57 0.00 0.00 179.45 179.99 1ng1 h THR 112 N -0.56 1.21 -0.56 -0.16 2.02 -1.96 -0.53 112.91 112.37 1ng1 h THR 112 Ca -0.00 -0.59 -0.09 0.00 0.77 0.00 0.00 66.41 66.50 1ng1 h THR 112 Cb 0.52 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1ng1 h THR 112 CO -0.07 0.24 0.01 0.74 0.37 0.00 0.00 175.52 176.81 1ng1 h THR 113 N 0.87 1.26 -0.45 3.16 2.02 -1.97 -2.90 112.91 114.90 1ng1 h THR 113 Ca 0.22 -1.11 -0.08 0.00 0.77 0.00 0.00 66.41 66.20 1ng1 h THR 113 Cb 0.10 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1ng1 h THR 113 CO -0.03 0.40 -0.06 0.74 0.37 0.00 0.00 175.52 176.94 1ng1 h THR 114 N 0.88 1.25 -0.18 3.16 2.02 -0.85 -0.95 112.91 118.24 1ng1 h THR 114 Ca 0.16 -1.10 0.02 0.00 0.77 0.00 0.00 66.41 66.27 1ng1 h THR 114 Cb 0.53 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1ng1 h THR 114 CO 0.03 0.38 0.04 0.00 0.37 0.00 0.00 175.52 176.34 1ng1 h ALA 115 N 1.21 0.19 -0.60 6.16 0.00 -0.93 -0.02 119.26 125.27 1ng1 h ALA 115 Ca 0.13 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1ng1 h ALA 115 Cb 0.53 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1ng1 h ALA 115 CO 0.03 -0.39 0.05 0.00 0.00 0.00 0.00 179.25 178.94 1ng1 h ALA 116 N 1.13 0.95 -0.59 0.00 0.00 -1.32 -1.42 119.26 118.00 1ng1 h ALA 116 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ng1 h ALA 116 Cb 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1ng1 h ALA 116 CO -0.10 0.64 0.38 0.87 0.00 0.00 0.00 179.25 181.04 1ng1 h LYS 117 N 0.94 0.79 -0.27 0.00 1.57 -0.74 -0.71 116.57 118.14 1ng1 h LYS 117 Ca 0.18 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1ng1 h LYS 117 Cb 0.48 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1ng1 h LYS 117 CO 0.02 0.54 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.11 1ng1 h LEU 118 N 0.80 0.54 -0.01 2.94 3.38 -0.75 0.11 115.31 122.31 1ng1 h LEU 118 Ca 0.21 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ng1 h LEU 118 Cb -0.06 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1ng1 h LEU 118 CO -0.04 0.79 0.00 0.00 0.09 0.00 0.00 178.44 179.28 1ng1 h ALA 119 N 1.26 0.01 -0.72 1.53 0.00 -0.65 -1.36 119.26 119.33 1ng1 h ALA 119 Ca 0.07 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1ng1 h ALA 119 Cb 0.70 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1ng1 h ALA 119 CO 0.05 -0.42 0.22 1.25 0.00 0.00 0.00 179.25 180.36 1ng1 h LEU 120 N -0.11 1.04 0.38 0.00 5.85 -1.02 -0.13 115.31 121.32 1ng1 h LEU 120 Ca 0.00 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1ng1 h LEU 120 Cb 0.13 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1ng1 h LEU 120 CO -0.00 0.97 -0.18 0.22 -0.34 0.00 0.00 178.44 179.11 1ng1 h TYR 121 N 1.07 -0.47 0.00 1.25 3.20 -0.72 -3.01 116.97 118.28 1ng1 h TYR 121 Ca 0.23 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1ng1 h TYR 121 Cb 0.30 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1ng1 h TYR 121 CO 0.02 -0.28 -0.09 1.88 -1.64 0.00 0.00 178.16 178.05 1ng1 h TYR 122 N -0.52 0.00 -0.85 -3.82 0.05 -1.23 -3.18 116.97 107.41 1ng1 h TYR 122 Ca -0.05 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.81 1ng1 h TYR 122 Cb 0.40 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.08 1ng1 h TYR 122 CO -0.05 0.09 0.55 -0.22 -1.05 0.00 0.00 178.16 177.48 1ng1 h LYS 123 N 0.00 0.83 -0.55 4.88 3.64 -0.88 0.24 116.57 124.73 1ng1 h LYS 123 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1ng1 h LYS 123 Cb 0.88 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1ng1 h LYS 123 CO 0.01 0.55 0.00 0.41 -2.27 0.00 0.00 179.45 178.15 1ng1 n GLY 124 N -1.42 1.58 0.40 5.01 0.00 -1.20 -3.95 105.19 105.61 1ng1 n GLY 124 Ca 0.14 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.70 1ng1 n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ng1 n LYS 125 N 0.78 1.69 -0.64 1.61 5.02 0.04 -4.94 118.16 121.71 1ng1 n LYS 125 Ca 0.17 -2.80 0.00 0.00 -2.02 0.00 0.00 58.31 53.65 1ng1 n LYS 125 Cb 0.53 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1ng1 n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ng1 n GLY 126 N -1.18 0.66 3.46 0.72 0.00 -1.23 -5.06 105.19 102.56 1ng1 n GLY 126 Ca 0.19 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 1ng1 n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ng1 s ARG 127 N -1.32 1.65 -0.49 1.61 1.81 -1.01 -5.07 118.95 116.13 1ng1 s ARG 127 Ca 0.00 -1.42 0.03 0.00 -1.72 0.00 0.00 55.73 52.63 1ng1 s ARG 127 Cb 0.00 -1.95 0.13 0.00 -0.45 0.00 0.00 34.95 32.68 1ng1 s ARG 127 CO 0.00 0.42 0.24 1.03 -0.68 0.00 0.00 175.30 176.31 1ng1 s ARG 128 N -2.59 1.95 0.57 3.54 0.52 -1.26 -4.23 118.95 117.45 1ng1 s ARG 128 Ca 0.21 -2.45 -0.14 0.00 -0.52 0.00 0.00 55.73 52.82 1ng1 s ARG 128 Cb -0.09 -3.35 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 1ng1 s ARG 128 CO 0.11 -1.08 1.02 -1.25 0.02 0.00 0.00 175.30 174.11 1ng1 s PRO 129 N -0.00 3.64 -0.07 3.54 0.05 -1.26 -0.97 135.00 139.93 1ng1 s PRO 129 Ca 0.16 0.95 -0.01 0.00 0.05 0.00 0.00 61.00 62.15 1ng1 s PRO 129 Cb -0.24 -2.09 0.03 0.00 0.05 0.00 0.00 34.50 32.25 1ng1 s PRO 129 CO -0.02 -0.53 -0.00 -1.17 0.05 0.00 0.00 177.00 175.32 1ng1 s LEU 130 N -4.58 0.69 0.06 -3.56 2.96 0.53 -4.41 118.68 110.38 1ng1 s LEU 130 Ca 0.59 -0.09 -0.18 0.00 -0.22 0.00 0.00 54.13 54.23 1ng1 s LEU 130 Cb -0.12 -0.44 -0.06 0.00 0.50 0.00 0.00 46.19 46.07 1ng1 s LEU 130 CO 0.40 -0.18 0.53 -0.76 -1.32 0.00 0.00 176.35 175.03 1ng1 s LEU 131 N 1.83 4.50 -0.19 -0.68 1.43 0.30 -0.83 118.68 125.04 1ng1 s LEU 131 Ca 0.03 1.18 -0.00 0.00 -1.03 0.00 0.00 54.13 54.30 1ng1 s LEU 131 Cb -0.12 -2.86 0.05 0.00 0.03 0.00 0.00 46.19 43.28 1ng1 s LEU 131 CO -0.05 0.27 -0.04 -0.69 0.23 0.00 0.00 176.35 176.07 1ng1 s VAL 132 N -1.14 1.16 -0.68 -1.59 1.01 -0.25 0.37 120.40 119.29 1ng1 s VAL 132 Ca 0.29 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 61.21 1ng1 s VAL 132 Cb -0.18 -1.41 0.05 0.00 0.00 0.00 0.00 36.38 34.84 1ng1 s VAL 132 CO 0.18 0.01 1.08 0.00 0.00 0.00 0.00 175.10 176.36 1ng1 s ALA 133 N 1.59 2.99 -1.01 5.51 0.00 -0.80 -0.37 121.76 129.67 1ng1 s ALA 133 Ca -0.02 -1.60 0.10 0.00 0.00 0.00 0.00 51.96 50.44 1ng1 s ALA 133 Cb -0.17 -3.99 0.47 0.00 0.00 0.00 0.00 23.12 19.43 1ng1 s ALA 133 CO -0.07 -2.92 1.28 0.00 0.00 0.00 0.00 175.76 174.05 1ng1 n ALA 134 N 8.28 3.05 -2.63 0.00 0.00 -0.23 -2.28 120.51 126.70 1ng1 n ALA 134 Ca -0.01 -1.04 -0.42 0.00 0.00 0.00 0.00 53.44 51.98 1ng1 n ALA 134 Cb 0.47 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 1ng1 n ALA 134 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ng1 s ASP 135 N -0.64 6.17 -0.00 0.00 -1.08 -1.26 -4.48 116.67 115.38 1ng1 s ASP 135 Ca 0.32 -0.58 0.00 0.00 -0.52 0.00 0.00 52.55 51.78 1ng1 s ASP 135 Cb 0.22 -2.52 0.01 0.00 -1.46 0.00 0.00 42.92 39.17 1ng1 s ASP 135 CO 0.13 -1.73 0.90 0.35 0.52 0.00 0.00 175.17 175.34 1ng1 n THR 136 N 6.27 0.02 0.00 1.71 -2.24 -1.26 -3.65 114.28 115.13 1ng1 n THR 136 Ca 0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1ng1 n THR 136 Cb 0.48 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1ng1 n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ng1 n GLN 137 N -0.36 2.39 -3.97 -0.78 6.02 -1.26 -0.66 117.38 118.77 1ng1 n GLN 137 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.68 1ng1 n GLN 137 Cb 0.07 -0.80 -0.14 0.00 1.02 0.00 0.00 30.24 30.38 1ng1 n GLN 137 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1ng1 s ARG 138 N -1.41 1.64 0.42 -1.09 0.52 -1.24 -4.97 118.95 112.82 1ng1 s ARG 138 Ca 0.00 -1.96 0.09 0.00 -0.52 0.00 0.00 55.73 53.34 1ng1 s ARG 138 Cb 0.00 -3.29 0.90 0.00 0.52 0.00 0.00 34.95 33.08 1ng1 s ARG 138 CO 0.00 -0.98 2.03 -1.00 0.02 0.00 0.00 175.30 175.36 1ng1 h PRO 139 N 7.55 0.36 -0.70 3.54 0.13 -1.94 -2.28 132.00 138.65 1ng1 h PRO 139 Ca -0.06 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 1ng1 h PRO 139 Cb 1.01 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 1ng1 h PRO 139 CO 0.57 0.31 0.33 0.00 -0.23 0.00 0.00 178.00 178.98 1ng1 h ALA 140 N 1.75 1.26 -0.46 -0.56 0.00 -1.95 -1.49 119.26 117.82 1ng1 h ALA 140 Ca 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ng1 h ALA 140 Cb 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1ng1 h ALA 140 CO -0.01 0.57 0.24 0.00 0.00 0.00 0.00 179.25 180.05 1ng1 h ALA 141 N 1.37 0.58 -0.65 0.00 0.00 -1.80 -2.61 119.26 116.16 1ng1 h ALA 141 Ca 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ng1 h ALA 141 Cb 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1ng1 h ALA 141 CO -0.03 0.12 0.33 0.00 0.00 0.00 0.00 179.25 179.67 1ng1 h ARG 142 N 0.60 0.92 -0.94 0.00 3.08 -1.36 -2.62 114.38 114.05 1ng1 h ARG 142 Ca 0.16 -0.12 0.06 0.00 0.07 0.00 0.00 59.98 60.15 1ng1 h ARG 142 Cb 0.08 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 29.89 1ng1 h ARG 142 CO -0.02 0.72 0.61 1.49 -1.07 0.00 0.00 179.97 181.69 1ng1 h GLU 143 N 0.89 1.06 -0.46 0.04 4.57 -1.04 -1.62 114.58 118.02 1ng1 h GLU 143 Ca 0.22 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.42 1ng1 h GLU 143 Cb 0.09 -0.24 -0.07 0.00 -0.16 0.00 0.00 28.75 28.37 1ng1 h GLU 143 CO -0.03 0.70 0.05 1.96 -1.18 0.00 0.00 179.01 180.51 1ng1 h GLN 144 N 1.09 0.17 -0.07 1.92 4.20 -1.09 -0.26 115.11 121.07 1ng1 h GLN 144 Ca 0.40 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 59.00 1ng1 h GLN 144 Cb 0.18 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1ng1 h GLN 144 CO -0.15 0.11 -0.45 1.25 -0.67 0.00 0.00 178.83 178.92 1ng1 h LEU 145 N 0.18 0.18 0.05 1.46 5.85 -1.42 -2.64 115.31 118.96 1ng1 h LEU 145 Ca 0.23 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1ng1 h LEU 145 Cb 0.32 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1ng1 h LEU 145 CO -0.34 0.61 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.19 1ng1 h ARG 146 N 0.14 -0.18 -0.57 1.25 2.43 -0.15 0.18 114.38 117.48 1ng1 h ARG 146 Ca 0.01 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1ng1 h ARG 146 Cb 0.85 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 1ng1 h ARG 146 CO 0.07 -0.12 0.32 -0.07 -1.51 0.00 0.00 179.97 178.66 1ng1 h LEU 147 N -0.18 0.71 -0.80 3.80 3.38 -1.19 -2.50 115.31 118.53 1ng1 h LEU 147 Ca 0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1ng1 h LEU 147 Cb 0.20 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1ng1 h LEU 147 CO -0.06 0.60 0.45 -0.07 0.09 0.00 0.00 178.44 179.45 1ng1 h LEU 148 N 0.77 0.99 -1.36 1.67 3.38 -1.17 -1.87 115.31 117.72 1ng1 h LEU 148 Ca 0.20 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1ng1 h LEU 148 Cb 0.04 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1ng1 h LEU 148 CO -0.03 0.79 0.47 1.23 0.09 0.00 0.00 178.44 180.99 1ng1 h GLY 149 N 1.11 0.96 0.79 0.83 0.00 -0.26 -1.97 103.07 104.53 1ng1 h GLY 149 Ca 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1ng1 h GLY 149 CO -0.05 0.26 0.02 -2.09 0.00 0.00 0.00 176.54 174.68 1ng1 h GLU 150 N 0.81 0.19 -0.93 4.80 4.81 -0.94 0.80 114.58 124.13 1ng1 h GLU 150 Ca 0.29 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 1ng1 h GLU 150 Cb 0.14 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 1ng1 h GLU 150 CO -0.09 0.40 0.61 0.87 -0.73 0.00 0.00 179.01 180.06 1ng1 h LYS 151 N -0.04 1.07 -0.01 1.92 1.57 -0.91 -2.07 116.57 118.10 1ng1 h LYS 151 Ca 0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ng1 h LYS 151 Cb 0.30 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1ng1 h LYS 151 CO 0.00 0.71 -0.18 1.33 -0.57 0.00 0.00 179.45 180.74 1ng1 n VAL 152 N -4.47 0.00 -3.17 0.50 0.24 -0.80 -4.96 118.33 105.67 1ng1 n VAL 152 Ca 0.13 -0.21 -0.15 0.00 -2.04 0.00 0.00 64.34 62.07 1ng1 n VAL 152 Cb 0.16 0.62 0.06 0.00 -1.47 0.00 0.00 33.84 33.21 1ng1 n VAL 152 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ng1 n GLY 153 N 1.30 -0.08 3.00 7.63 0.00 -0.29 -4.88 105.19 111.88 1ng1 n GLY 153 Ca 0.14 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1ng1 n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ng1 s VAL 154 N -3.23 1.05 0.43 1.61 1.01 0.12 -5.03 120.40 116.36 1ng1 s VAL 154 Ca 0.29 -0.43 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 1ng1 s VAL 154 Cb -0.13 -0.97 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 1ng1 s VAL 154 CO 0.50 0.34 1.31 -0.81 0.00 0.00 0.00 175.10 176.44 1ng1 n PRO 155 N 3.86 2.01 -4.00 2.72 -0.04 -1.26 -4.36 135.00 133.93 1ng1 n PRO 155 Ca -0.23 0.72 -0.30 0.00 -0.04 0.00 0.00 63.50 63.64 1ng1 n PRO 155 Cb 0.52 -2.45 -0.16 0.00 -0.04 0.00 0.00 33.50 31.37 1ng1 n PRO 155 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ng1 s VAL 156 N -1.20 1.64 -0.31 0.52 1.01 -1.26 -0.54 120.40 120.27 1ng1 s VAL 156 Ca 0.61 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 1ng1 s VAL 156 Cb -0.49 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1ng1 s VAL 156 CO 0.58 0.23 0.42 -0.22 0.00 0.00 0.00 175.10 176.10 1ng1 s LEU 157 N 1.41 4.21 -0.16 3.92 0.20 0.16 -4.96 118.68 123.45 1ng1 s LEU 157 Ca -0.00 0.11 -0.13 0.00 0.69 0.00 0.00 54.13 54.80 1ng1 s LEU 157 Cb -0.16 -2.47 -0.05 0.00 -0.43 0.00 0.00 46.19 43.09 1ng1 s LEU 157 CO -0.09 -0.31 0.26 -1.61 -0.29 0.00 0.00 176.35 174.32 1ng1 s GLU 158 N 2.16 4.22 0.50 1.98 2.02 -1.26 -1.90 118.70 126.42 1ng1 s GLU 158 Ca 0.16 0.03 -0.19 0.00 0.02 0.00 0.00 54.97 54.99 1ng1 s GLU 158 Cb -0.16 -3.42 -0.08 0.00 0.10 0.00 0.00 34.13 30.58 1ng1 s GLU 158 CO 0.11 0.27 1.02 0.14 0.02 0.00 0.00 175.26 176.83 1ng1 s VAL 159 N 0.39 3.94 0.34 2.63 -7.23 -0.97 -4.98 120.40 114.52 1ng1 s VAL 159 Ca 0.15 1.14 -0.10 0.00 -1.81 0.00 0.00 61.98 61.36 1ng1 s VAL 159 Cb -0.13 -3.48 -0.07 0.00 0.56 0.00 0.00 36.38 33.27 1ng1 s VAL 159 CO 0.03 -0.33 0.68 -0.04 -0.31 0.00 0.00 175.10 175.13 1ng1 s MET 160 N -3.42 3.78 -0.07 4.82 1.00 -1.26 -4.87 119.30 119.27 1ng1 s MET 160 Ca 0.65 0.37 -0.36 0.00 0.00 0.00 0.00 55.69 56.35 1ng1 s MET 160 Cb -0.15 -2.49 -0.14 0.00 0.00 0.00 0.00 34.83 32.05 1ng1 s MET 160 CO 0.22 0.10 1.70 -0.25 0.00 0.00 0.00 175.02 176.80 1ng1 n ASP 161 N -0.90 2.78 -0.05 3.03 8.00 -1.26 -0.87 116.55 127.29 1ng1 n ASP 161 Ca 0.01 1.05 -0.01 0.00 0.71 0.00 0.00 54.79 56.55 1ng1 n ASP 161 Cb 0.54 -1.28 -0.00 0.00 -0.02 0.00 0.00 41.12 40.35 1ng1 n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ng1 n GLY 162 N 3.87 0.35 3.75 0.44 0.00 0.17 -4.97 105.19 108.79 1ng1 n GLY 162 Ca 0.22 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1ng1 n GLY 162 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ng1 n GLU 163 N -1.47 2.61 -2.66 1.61 2.13 -0.05 -4.95 120.64 117.87 1ng1 n GLU 163 Ca -0.01 0.92 -0.35 0.00 0.66 0.00 0.00 57.16 58.38 1ng1 n GLU 163 Cb 0.21 -2.65 -0.05 0.00 0.27 0.00 0.00 31.44 29.22 1ng1 n GLU 163 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1ng1 s SER 164 N 0.07 6.82 0.57 4.31 1.04 -1.26 -4.88 113.70 120.37 1ng1 s SER 164 Ca 0.57 1.88 0.28 0.00 0.48 0.00 0.00 55.95 59.16 1ng1 s SER 164 Cb -0.50 -2.57 1.50 0.00 0.10 0.00 0.00 66.02 64.56 1ng1 s SER 164 CO 0.58 -0.45 1.98 1.55 0.98 0.00 0.00 173.24 177.88 1ng1 h PRO 165 N 2.23 0.00 -0.21 4.02 0.13 -1.95 -0.02 132.00 136.21 1ng1 h PRO 165 Ca -0.48 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 1ng1 h PRO 165 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ng1 h PRO 165 CO 0.62 0.00 -0.46 0.93 -0.23 0.00 0.00 178.00 178.86 1ng1 h GLU 166 N 0.00 0.67 -0.39 0.86 3.07 -1.97 -1.08 114.58 115.75 1ng1 h GLU 166 Ca 0.20 -0.45 -0.12 0.00 -0.50 0.00 0.00 59.36 58.50 1ng1 h GLU 166 Cb 0.98 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 1ng1 h GLU 166 CO -0.00 1.07 -0.24 1.03 -1.40 0.00 0.00 179.01 179.47 1ng1 h SER 167 N 0.37 0.79 -0.33 1.42 0.87 -1.44 -2.06 113.55 113.18 1ng1 h SER 167 Ca 0.00 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.24 1ng1 h SER 167 Cb 1.06 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 1ng1 h SER 167 CO 0.10 1.00 0.10 0.40 -0.53 0.00 0.00 176.83 177.90 1ng1 h ILE 168 N 0.68 1.21 -0.11 2.23 2.04 -1.12 -1.90 117.51 120.53 1ng1 h ILE 168 Ca 0.09 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.29 1ng1 h ILE 168 Cb 0.75 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1ng1 h ILE 168 CO 0.06 0.23 0.02 -0.09 0.00 0.00 0.00 178.15 178.37 1ng1 h ARG 169 N 0.37 0.06 -0.51 2.37 2.43 -0.99 -0.95 114.38 117.15 1ng1 h ARG 169 Ca 0.10 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1ng1 h ARG 169 Cb 0.26 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1ng1 h ARG 169 CO -0.00 0.04 0.06 0.07 -1.51 0.00 0.00 179.97 178.63 1ng1 h ARG 170 N 0.06 0.82 -0.20 0.20 -0.00 -1.33 -0.59 114.38 113.34 1ng1 h ARG 170 Ca 0.05 -0.20 -0.15 0.00 -0.00 0.00 0.00 59.98 59.68 1ng1 h ARG 170 Cb 0.05 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.97 29.90 1ng1 h ARG 170 CO -0.07 0.78 -0.51 0.00 -0.00 0.00 0.00 179.97 180.18 1ng1 h ARG 171 N 0.78 0.55 -0.06 0.08 3.08 -1.09 -1.94 114.38 115.78 1ng1 h ARG 171 Ca 0.16 -0.33 -0.16 0.00 0.07 0.00 0.00 59.98 59.73 1ng1 h ARG 171 Cb 0.38 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.47 1ng1 h ARG 171 CO 0.01 0.93 -0.57 0.28 -1.07 0.00 0.00 179.97 179.55 1ng1 h VAL 172 N 0.43 1.38 -0.63 2.04 2.07 -1.02 -2.26 116.25 118.27 1ng1 h VAL 172 Ca 0.02 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 65.59 1ng1 h VAL 172 Cb 1.04 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 33.14 1ng1 h VAL 172 CO 0.10 0.58 0.38 -0.08 0.02 0.00 0.00 177.57 178.56 1ng1 h GLU 173 N 0.05 0.85 0.05 1.57 4.22 -1.11 0.19 114.58 120.39 1ng1 h GLU 173 Ca -0.05 -0.07 -0.00 0.00 0.08 0.00 0.00 59.36 59.31 1ng1 h GLU 173 Cb 1.24 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1ng1 h GLU 173 CO 0.12 0.59 -0.02 1.49 -2.18 0.00 0.00 179.01 179.01 1ng1 h GLU 174 N 0.86 -0.06 -0.59 1.92 4.81 -1.32 -0.22 114.58 119.98 1ng1 h GLU 174 Ca 0.23 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1ng1 h GLU 174 Cb -0.04 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1ng1 h GLU 174 CO -0.04 0.37 0.37 -0.22 -0.73 0.00 0.00 179.01 178.76 1ng1 h LYS 175 N -0.52 0.72 -0.61 1.92 3.64 -1.20 0.15 116.57 120.67 1ng1 h LYS 175 Ca -0.01 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 1ng1 h LYS 175 Cb 0.46 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1ng1 h LYS 175 CO 0.01 0.48 0.09 0.00 -2.27 0.00 0.00 179.45 177.76 1ng1 h ALA 176 N 1.24 1.00 -0.15 5.00 0.00 -0.96 0.10 119.26 125.49 1ng1 h ALA 176 Ca 0.23 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1ng1 h ALA 176 Cb -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ng1 h ALA 176 CO -0.08 0.63 -0.34 -0.09 0.00 0.00 0.00 179.25 179.37 1ng1 h ARG 177 N 0.94 0.50 0.00 0.00 2.43 -0.53 -0.48 114.38 117.24 1ng1 h ARG 177 Ca 0.19 -0.34 -0.07 0.00 -0.81 0.00 0.00 59.98 58.95 1ng1 h ARG 177 Cb 0.42 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1ng1 h ARG 177 CO 0.01 0.95 -0.32 -0.07 -1.51 0.00 0.00 179.97 179.03 1ng1 h LEU 178 N 0.12 0.00 -2.29 3.80 3.38 -0.65 -3.26 115.31 116.40 1ng1 h LEU 178 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ng1 h LEU 178 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1ng1 h LEU 178 CO 0.08 0.32 0.00 -0.62 0.09 0.00 0.00 178.44 178.31 1ng1 n GLU 179 N -3.29 1.93 -3.52 1.13 1.02 0.01 -5.01 120.64 112.92 1ng1 n GLU 179 Ca 0.01 -1.70 -0.20 0.00 -0.02 0.00 0.00 57.16 55.25 1ng1 n GLU 179 Cb 0.58 -1.25 0.06 0.00 -0.02 0.00 0.00 31.44 30.80 1ng1 n GLU 179 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ng1 n ALA 180 N 0.58 -2.21 -2.60 0.62 0.00 -0.55 -4.98 120.51 111.37 1ng1 n ALA 180 Ca 0.10 -0.08 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 1ng1 n ALA 180 Cb 0.37 -3.31 -0.10 0.00 0.00 0.00 0.00 19.45 16.41 1ng1 n ALA 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ng1 s ARG 181 N -5.44 3.98 0.00 0.00 1.81 -0.30 -4.70 118.95 114.30 1ng1 s ARG 181 Ca 0.18 -0.19 0.19 0.00 -1.72 0.00 0.00 55.73 54.20 1ng1 s ARG 181 Cb -0.04 -3.65 0.17 0.00 -0.45 0.00 0.00 34.95 30.98 1ng1 s ARG 181 CO 0.78 -0.20 1.13 -0.40 -0.68 0.00 0.00 175.30 175.93 1ng1 n ASP 182 N 5.11 2.65 -3.66 0.23 5.68 -0.15 -4.75 116.55 121.66 1ng1 n ASP 182 Ca -0.12 -1.82 -0.29 0.00 -0.50 0.00 0.00 54.79 52.06 1ng1 n ASP 182 Cb 0.52 -0.01 -0.15 0.00 -1.14 0.00 0.00 41.12 40.33 1ng1 n ASP 182 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1ng1 s LEU 183 N -1.60 1.38 -0.27 -2.12 2.96 -1.18 -1.82 118.68 116.04 1ng1 s LEU 183 Ca 0.23 -1.33 -0.13 0.00 -0.22 0.00 0.00 54.13 52.69 1ng1 s LEU 183 Cb 0.16 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 46.20 1ng1 s LEU 183 CO 0.24 -0.40 0.28 -0.63 -1.32 0.00 0.00 176.35 174.52 1ng1 s ILE 184 N 1.85 5.25 -0.39 6.68 1.01 0.65 -0.35 121.20 135.90 1ng1 s ILE 184 Ca 0.07 0.37 -0.06 0.00 0.00 0.00 0.00 60.65 61.04 1ng1 s ILE 184 Cb -0.17 -3.61 0.08 0.00 0.01 0.00 0.00 42.46 38.78 1ng1 s ILE 184 CO -0.25 0.22 0.19 -0.76 0.00 0.00 0.00 174.94 174.34 1ng1 s LEU 185 N 1.80 4.95 -0.36 2.97 1.43 -0.01 -0.19 118.68 129.27 1ng1 s LEU 185 Ca 0.11 -1.65 -0.21 0.00 -1.03 0.00 0.00 54.13 51.36 1ng1 s LEU 185 Cb -0.16 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1ng1 s LEU 185 CO 0.10 -0.49 0.65 -0.69 0.23 0.00 0.00 176.35 176.15 1ng1 s VAL 186 N 1.29 4.87 -0.67 -1.59 1.01 0.15 -1.09 120.40 124.38 1ng1 s VAL 186 Ca 0.03 0.58 -0.23 0.00 0.00 0.00 0.00 61.98 62.37 1ng1 s VAL 186 Cb -0.22 -4.10 0.07 0.00 0.00 0.00 0.00 36.38 32.13 1ng1 s VAL 186 CO -0.01 -0.35 1.00 -0.62 0.00 0.00 0.00 175.10 175.12 1ng1 s ASP 187 N 1.81 6.18 0.64 3.32 2.15 0.50 -0.95 116.67 130.32 1ng1 s ASP 187 Ca 0.25 -0.95 -0.11 0.00 0.43 0.00 0.00 52.55 52.16 1ng1 s ASP 187 Cb -0.14 -2.43 -0.03 0.00 -0.30 0.00 0.00 42.92 40.02 1ng1 s ASP 187 CO 0.15 -1.48 1.04 0.42 -0.17 0.00 0.00 175.17 175.14 1ng1 s THR 188 N 4.21 4.50 0.68 1.71 -4.23 -1.09 -1.07 115.64 120.35 1ng1 s THR 188 Ca 0.23 0.81 -0.14 0.00 -1.18 0.00 0.00 61.69 61.42 1ng1 s THR 188 Cb -0.16 -3.78 0.01 0.00 1.34 0.00 0.00 72.50 69.91 1ng1 s THR 188 CO 0.10 -1.06 1.09 0.00 -0.54 0.00 0.00 174.62 174.21 1ng1 s ALA 189 N -3.19 2.49 -0.20 3.99 0.00 -1.26 -4.85 121.76 118.75 1ng1 s ALA 189 Ca 0.56 0.40 -0.27 0.00 0.00 0.00 0.00 51.96 52.64 1ng1 s ALA 189 Cb -0.11 -3.28 0.09 0.00 0.00 0.00 0.00 23.12 19.82 1ng1 s ALA 189 CO 0.54 -1.30 0.82 0.20 0.00 0.00 0.00 175.76 176.02 1ng1 s GLY 190 N -2.95 -0.42 0.44 0.00 0.00 -1.26 -4.79 107.32 98.34 1ng1 s GLY 190 Ca 0.64 1.99 0.07 0.00 0.00 0.00 0.00 44.72 47.41 1ng1 s GLY 190 CO 0.46 1.45 0.27 0.50 0.00 0.00 0.00 173.10 175.77 1ng1 s ARG 191 N -0.29 2.31 0.66 2.90 1.81 -1.26 -4.25 118.95 120.82 1ng1 s ARG 191 Ca -0.02 -1.83 0.44 0.00 -1.72 0.00 0.00 55.73 52.60 1ng1 s ARG 191 Cb -0.03 -2.08 2.40 0.00 -0.45 0.00 0.00 34.95 34.79 1ng1 s ARG 191 CO 0.02 -0.25 2.37 -0.07 -0.68 0.00 0.00 175.30 176.69 1ng1 h LEU 192 N 1.19 0.00 -8.24 2.53 3.38 -1.94 -0.98 115.31 111.25 1ng1 h LEU 192 Ca -0.41 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.42 1ng1 h LEU 192 Cb 1.27 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.87 1ng1 h LEU 192 CO 0.65 0.00 -0.56 0.00 0.09 0.00 0.00 178.44 178.61 1ng1 s GLN 193 N -4.18 0.87 0.14 1.13 -2.07 -1.26 -4.73 119.66 109.56 1ng1 s GLN 193 Ca -0.05 -1.27 -0.31 0.00 -1.82 0.00 0.00 55.36 51.91 1ng1 s GLN 193 Cb 0.13 0.27 -0.11 0.00 -1.09 0.00 0.00 33.01 32.22 1ng1 s GLN 193 CO 0.42 -0.25 1.78 0.42 -1.32 0.00 0.00 175.29 176.34 1ng1 s ILE 194 N -3.98 2.45 -0.28 3.63 1.01 -1.26 -4.97 121.20 117.81 1ng1 s ILE 194 Ca 0.16 0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.84 1ng1 s ILE 194 Cb 0.07 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.49 1ng1 s ILE 194 CO -0.03 0.00 0.04 -0.62 0.00 0.00 0.00 174.94 174.33 1ng1 s ASP 195 N 2.26 4.89 0.09 3.58 -1.08 -1.26 -5.02 116.67 120.13 1ng1 s ASP 195 Ca 0.79 -0.73 -0.34 0.00 -0.52 0.00 0.00 52.55 51.75 1ng1 s ASP 195 Cb -0.46 -1.82 -0.15 0.00 -1.46 0.00 0.00 42.92 39.03 1ng1 s ASP 195 CO 0.35 -0.16 1.53 -0.08 0.52 0.00 0.00 175.17 177.33 1ng1 h GLU 196 N 8.17 -0.80 -0.86 4.34 4.57 -1.98 0.31 114.58 128.33 1ng1 h GLU 196 Ca -0.32 0.05 0.13 0.00 -1.18 0.00 0.00 59.36 58.04 1ng1 h GLU 196 Cb 1.12 0.18 -0.09 0.00 -0.16 0.00 0.00 28.75 29.81 1ng1 h GLU 196 CO 0.59 -0.53 0.47 -1.35 -1.18 0.00 0.00 179.01 177.01 1ng1 h PRO 197 N -0.83 0.69 -0.82 0.92 0.11 -2.00 -0.54 132.00 129.54 1ng1 h PRO 197 Ca -0.03 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1ng1 h PRO 197 Cb 0.78 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.69 1ng1 h PRO 197 CO -0.19 0.46 0.43 1.25 -0.21 0.00 0.00 178.00 179.73 1ng1 h LEU 198 N 0.71 1.05 -1.51 2.35 5.85 -1.84 -1.38 115.31 120.54 1ng1 h LEU 198 Ca 0.45 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 1ng1 h LEU 198 Cb 0.55 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1ng1 h LEU 198 CO -0.32 0.86 -0.20 -0.03 -0.34 0.00 0.00 178.44 178.41 1ng1 h MET 199 N 1.16 0.00 -0.13 1.25 4.05 0.11 -1.41 114.93 119.96 1ng1 h MET 199 Ca 0.29 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 59.49 1ng1 h MET 199 Cb 0.07 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 30.87 1ng1 h MET 199 CO -0.04 0.20 -0.77 0.78 0.23 0.00 0.00 176.91 177.31 1ng1 h GLY 200 N 1.37 0.77 0.94 1.39 0.00 -0.14 -2.10 103.07 105.31 1ng1 h GLY 200 Ca -0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 47.33 46.15 1ng1 h GLY 200 CO 0.03 0.97 -0.09 0.83 0.00 0.00 0.00 176.54 178.27 1ng1 h GLU 201 N 0.48 0.69 -0.57 4.80 5.08 -0.99 -2.29 114.58 121.79 1ng1 h GLU 201 Ca -0.05 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1ng1 h GLU 201 Cb 1.39 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 1ng1 h GLU 201 CO 0.15 0.86 0.32 1.25 -1.00 0.00 0.00 179.01 180.59 1ng1 h LEU 202 N 0.48 0.49 -0.75 1.33 5.85 -1.25 0.11 115.31 121.59 1ng1 h LEU 202 Ca 0.09 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1ng1 h LEU 202 Cb 0.60 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1ng1 h LEU 202 CO 0.04 0.34 0.06 0.00 -0.34 0.00 0.00 178.44 178.53 1ng1 h ALA 203 N 1.28 0.96 -0.51 1.25 0.00 -1.32 -1.70 119.26 119.21 1ng1 h ALA 203 Ca 0.24 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1ng1 h ALA 203 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1ng1 h ALA 203 CO -0.14 0.64 -0.06 -0.09 0.00 0.00 0.00 179.25 179.60 1ng1 h ARG 204 N 0.94 0.91 -0.78 0.00 9.65 -0.78 -1.79 114.38 122.54 1ng1 h ARG 204 Ca 0.18 -0.30 -0.05 0.00 -1.10 0.00 0.00 59.98 58.71 1ng1 h ARG 204 Cb 0.47 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.94 1ng1 h ARG 204 CO 0.02 0.95 0.29 1.25 2.80 0.00 0.00 179.97 185.28 1ng1 h LEU 205 N 0.83 1.08 -0.40 3.80 5.85 -0.47 -1.84 115.31 124.17 1ng1 h LEU 205 Ca 0.14 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1ng1 h LEU 205 Cb 0.58 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1ng1 h LEU 205 CO 0.04 0.97 0.13 0.50 -0.34 0.00 0.00 178.44 179.74 1ng1 h LYS 206 N 1.14 0.61 -0.57 1.25 3.64 -1.02 0.18 116.57 121.79 1ng1 h LYS 206 Ca 0.26 -0.13 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1ng1 h LYS 206 Cb 0.24 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1ng1 h LYS 206 CO -0.02 0.61 0.28 1.49 -2.27 0.00 0.00 179.45 179.54 1ng1 h GLU 207 N 0.50 0.51 0.02 1.90 4.57 -0.95 0.56 114.58 121.69 1ng1 h GLU 207 Ca 0.13 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 1ng1 h GLU 207 Cb 0.24 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1ng1 h GLU 207 CO -0.01 0.34 -0.32 -0.39 -1.18 0.00 0.00 179.01 177.45 1ng1 h VAL 208 N 0.53 1.56 0.00 0.32 -1.51 -1.14 -3.34 116.25 112.67 1ng1 h VAL 208 Ca 0.26 -2.08 -0.09 0.00 -1.23 0.00 0.00 66.70 63.56 1ng1 h VAL 208 Cb 0.21 2.88 -0.01 0.00 -2.13 0.00 0.00 31.29 32.24 1ng1 h VAL 208 CO -0.20 0.57 -0.41 -0.07 -1.23 0.00 0.00 177.57 176.23 1ng1 h LEU 209 N -0.51 0.00 -2.90 4.19 3.38 -0.59 -3.49 115.31 115.39 1ng1 h LEU 209 Ca -0.05 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.60 1ng1 h LEU 209 Cb 1.12 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.97 1ng1 h LEU 209 CO 0.06 0.41 -0.80 0.61 0.09 0.00 0.00 178.44 178.82 1ng1 n GLY 210 N 0.61 -1.10 3.75 0.83 0.00 0.20 -4.93 105.19 104.55 1ng1 n GLY 210 Ca 0.01 0.51 -0.37 0.00 0.00 0.00 0.00 46.02 46.17 1ng1 n GLY 210 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ng1 s PRO 211 N -5.01 3.01 0.04 1.61 0.04 -1.26 -4.89 135.00 128.54 1ng1 s PRO 211 Ca 0.38 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.50 1ng1 s PRO 211 Cb -0.10 -2.06 -0.23 0.00 0.04 0.00 0.00 34.50 32.15 1ng1 s PRO 211 CO 0.81 -1.22 0.99 -0.44 0.04 0.00 0.00 177.00 177.18 1ng1 h ASP 212 N 1.12 0.06 -4.84 6.66 3.32 -0.13 -3.46 116.42 119.15 1ng1 h ASP 212 Ca -0.51 -0.09 -0.23 0.00 0.02 0.00 0.00 57.03 56.22 1ng1 h ASP 212 Cb 1.30 -0.02 -0.21 0.00 0.22 0.00 0.00 39.33 40.63 1ng1 h ASP 212 CO 0.56 1.07 -0.72 -1.61 -1.72 0.00 0.00 179.24 176.82 1ng1 s GLU 213 N -2.66 0.48 -0.31 3.56 0.41 -1.22 -5.04 118.70 113.92 1ng1 s GLU 213 Ca -0.03 -0.75 -0.01 0.00 -0.41 0.00 0.00 54.97 53.77 1ng1 s GLU 213 Cb 0.09 -0.14 0.10 0.00 -1.78 0.00 0.00 34.13 32.40 1ng1 s GLU 213 CO 0.83 0.01 0.11 0.08 -0.49 0.00 0.00 175.26 175.80 1ng1 s VAL 214 N -1.60 0.66 -0.25 2.63 1.01 -1.26 -1.44 120.40 120.16 1ng1 s VAL 214 Ca -0.10 -1.31 -0.19 0.00 0.00 0.00 0.00 61.98 60.38 1ng1 s VAL 214 Cb -0.09 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1ng1 s VAL 214 CO -0.01 -0.71 0.56 -0.76 0.00 0.00 0.00 175.10 174.19 1ng1 s LEU 215 N 1.66 4.07 -0.33 3.92 1.43 0.52 -1.15 118.68 128.81 1ng1 s LEU 215 Ca 0.10 0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 53.60 1ng1 s LEU 215 Cb -0.17 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.30 1ng1 s LEU 215 CO -0.26 -0.31 0.71 -0.22 0.23 0.00 0.00 176.35 176.51 1ng1 s LEU 216 N 2.29 4.15 -0.15 1.79 2.96 -0.43 -0.67 118.68 128.63 1ng1 s LEU 216 Ca 0.23 0.42 -0.21 0.00 -0.22 0.00 0.00 54.13 54.35 1ng1 s LEU 216 Cb -0.16 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.57 1ng1 s LEU 216 CO 0.09 -0.60 0.64 -0.69 -1.32 0.00 0.00 176.35 174.47 1ng1 s VAL 217 N 2.85 5.04 -0.07 1.68 1.01 0.59 -1.15 120.40 130.35 1ng1 s VAL 217 Ca 0.29 1.26 0.03 0.00 0.00 0.00 0.00 61.98 63.55 1ng1 s VAL 217 Cb -0.14 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1ng1 s VAL 217 CO 0.14 0.18 -0.15 -0.76 0.00 0.00 0.00 175.10 174.50 1ng1 s LEU 218 N 1.42 1.76 -0.77 3.92 1.43 0.12 -4.58 118.68 121.98 1ng1 s LEU 218 Ca 0.32 -0.35 -0.26 0.00 -1.03 0.00 0.00 54.13 52.80 1ng1 s LEU 218 Cb -0.16 -0.95 0.03 0.00 0.03 0.00 0.00 46.19 45.14 1ng1 s LEU 218 CO 0.13 0.07 1.32 -0.62 0.23 0.00 0.00 176.35 177.48 1ng1 s ASP 219 N 0.52 6.16 0.50 2.29 -1.08 -1.26 -0.42 116.67 123.39 1ng1 s ASP 219 Ca -0.14 -0.54 0.29 0.00 -0.52 0.00 0.00 52.55 51.64 1ng1 s ASP 219 Cb -0.16 -2.56 1.39 0.00 -1.46 0.00 0.00 42.92 40.14 1ng1 s ASP 219 CO 0.05 -1.83 1.84 0.00 0.52 0.00 0.00 175.17 175.75 1ng1 h ALA 220 N 10.19 2.75 0.00 3.66 0.00 -1.61 -0.62 119.26 133.62 1ng1 h ALA 220 Ca -0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ng1 h ALA 220 Cb 1.05 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ng1 h ALA 220 CO 1.30 -1.06 -0.02 0.52 0.00 0.00 0.00 179.25 179.99 1ng1 h MET 221 N 0.12 0.00 0.00 0.00 2.86 -1.79 -1.78 114.93 114.34 1ng1 h MET 221 Ca 0.50 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.14 1ng1 h MET 221 Cb 1.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.44 1ng1 h MET 221 CO -0.08 0.02 0.00 0.25 1.06 0.00 0.00 176.91 178.16 1ng1 n THR 222 N -3.56 0.00 -4.42 2.22 -2.24 -0.24 -5.00 114.28 101.04 1ng1 n THR 222 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1ng1 n THR 222 Cb 0.11 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1ng1 n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ng1 n GLY 223 N 0.55 -0.35 0.05 3.38 0.00 -0.67 -3.30 105.19 104.84 1ng1 n GLY 223 Ca 0.08 -1.07 0.09 0.00 0.00 0.00 0.00 46.02 45.11 1ng1 n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ng1 n GLN 224 N 0.00 0.07 0.22 1.61 10.64 -1.26 -2.17 117.38 126.49 1ng1 n GLN 224 Ca 0.00 0.30 0.05 0.00 -1.83 0.00 0.00 57.00 55.53 1ng1 n GLN 224 Cb 0.00 -1.63 0.50 0.00 -0.86 0.00 0.00 30.24 28.24 1ng1 n GLN 224 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1ng1 h GLU 225 N 0.00 0.00 -0.33 2.61 4.81 -1.92 -2.37 114.58 117.38 1ng1 h GLU 225 Ca 0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1ng1 h GLU 225 Cb 0.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1ng1 h GLU 225 CO 0.00 0.20 0.25 0.00 -0.73 0.00 0.00 179.01 178.73 1ng1 h ALA 226 N 1.80 2.28 0.00 2.92 0.00 -1.52 -1.47 119.26 123.26 1ng1 h ALA 226 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ng1 h ALA 226 Cb 0.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ng1 h ALA 226 CO 0.03 -0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.14 1ng1 n LEU 227 N -4.37 0.00 -0.10 0.00 4.77 -0.89 -4.06 117.00 112.35 1ng1 n LEU 227 Ca 0.05 0.44 0.07 0.00 -0.03 0.00 0.00 56.01 56.54 1ng1 n LEU 227 Cb 0.42 -0.44 0.41 0.00 -2.33 0.00 0.00 43.42 41.49 1ng1 n LEU 227 CO 0.35 -0.01 1.19 0.77 -1.33 0.00 0.00 177.39 178.36 1ng1 h SER 228 N 0.00 0.53 1.28 -1.43 4.64 -1.41 -2.52 113.55 114.64 1ng1 h SER 228 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ng1 h SER 228 Cb 0.43 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1ng1 h SER 228 CO 0.00 0.35 -0.03 1.33 -0.87 0.00 0.00 176.83 177.61 1ng1 n VAL 229 N -4.47 0.38 -0.19 0.95 0.24 -1.26 -4.18 118.33 109.79 1ng1 n VAL 229 Ca 0.08 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1ng1 n VAL 229 Cb 0.21 -0.53 0.10 0.00 -1.47 0.00 0.00 33.84 32.15 1ng1 n VAL 229 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ng1 h ALA 230 N 2.69 0.64 -0.22 2.33 0.00 -1.71 -2.37 119.26 120.62 1ng1 h ALA 230 Ca 0.00 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1ng1 h ALA 230 Cb 0.65 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1ng1 h ALA 230 CO 0.00 -0.35 0.07 -0.09 0.00 0.00 0.00 179.25 178.87 1ng1 h ARG 231 N 0.18 0.16 -0.49 0.00 2.43 -1.78 -2.21 114.38 112.67 1ng1 h ARG 231 Ca 0.31 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.51 1ng1 h ARG 231 Cb 0.48 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1ng1 h ARG 231 CO -0.45 0.11 0.24 0.00 -1.51 0.00 0.00 179.97 178.36 1ng1 h ALA 232 N 1.14 0.63 -0.58 2.80 0.00 -1.70 -1.95 119.26 119.59 1ng1 h ALA 232 Ca 0.10 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1ng1 h ALA 232 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ng1 h ALA 232 CO -0.10 -0.11 0.02 0.74 0.00 0.00 0.00 179.25 179.80 1ng1 h PHE 233 N 0.48 1.10 -0.13 0.00 0.04 -1.31 -2.42 116.94 114.71 1ng1 h PHE 233 Ca 0.22 -0.18 -0.11 0.00 2.80 0.00 0.00 57.97 60.70 1ng1 h PHE 233 Cb 0.13 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 1ng1 h PHE 233 CO -0.10 0.97 -0.41 0.22 -0.60 0.00 0.00 178.31 178.39 1ng1 h ASP 234 N 0.91 0.29 0.03 2.17 3.58 -1.16 0.36 116.42 122.60 1ng1 h ASP 234 Ca 0.17 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1ng1 h ASP 234 Cb 0.52 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1ng1 h ASP 234 CO 0.03 0.67 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.71 1ng1 h GLU 235 N 0.23 -0.04 -0.04 0.28 5.08 -1.30 -2.43 114.58 116.37 1ng1 h GLU 235 Ca 0.02 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.16 1ng1 h GLU 235 Cb 0.82 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.09 1ng1 h GLU 235 CO 0.07 0.58 -0.90 0.87 -1.00 0.00 0.00 179.01 178.63 1ng1 h LYS 236 N -0.71 0.52 0.00 2.33 1.79 -1.46 -3.42 116.57 115.62 1ng1 h LYS 236 Ca -0.00 -0.51 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1ng1 h LYS 236 Cb 0.64 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 1ng1 h LYS 236 CO 0.01 1.14 -0.34 0.28 -1.08 0.00 0.00 179.45 179.46 1ng1 n VAL 237 N -3.81 1.14 0.00 0.50 0.31 0.11 -4.63 118.33 111.95 1ng1 n VAL 237 Ca -0.07 0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1ng1 n VAL 237 Cb 0.81 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 1ng1 n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ng1 n GLY 238 N 2.68 1.23 3.72 2.92 0.00 -0.38 -4.96 105.19 110.40 1ng1 n GLY 238 Ca -0.05 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 1ng1 n GLY 238 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ng1 s VAL 239 N 0.00 4.60 -0.13 1.61 1.01 -1.26 -4.61 120.40 121.62 1ng1 s VAL 239 Ca 0.00 2.04 0.18 0.00 0.00 0.00 0.00 61.98 64.20 1ng1 s VAL 239 Cb 0.00 -4.31 -0.26 0.00 0.00 0.00 0.00 36.38 31.82 1ng1 s VAL 239 CO 0.00 0.26 0.20 0.35 0.00 0.00 0.00 175.10 175.90 1ng1 n THR 240 N 3.18 0.83 -3.87 3.92 -2.24 -0.30 -4.96 114.28 110.85 1ng1 n THR 240 Ca 0.04 -0.68 -0.09 0.00 -2.27 0.00 0.00 64.05 61.06 1ng1 n THR 240 Cb 0.50 -0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.41 1ng1 n THR 240 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ng1 s GLY 241 N -4.95 0.32 0.21 3.38 0.00 -1.16 -4.52 107.32 100.60 1ng1 s GLY 241 Ca -0.09 -0.67 0.09 0.00 0.00 0.00 0.00 44.72 44.05 1ng1 s GLY 241 CO 0.79 -0.32 -0.16 1.08 0.00 0.00 0.00 173.10 174.49 1ng1 s LEU 242 N -3.03 2.54 -0.14 0.66 1.43 0.66 -1.31 118.68 119.50 1ng1 s LEU 242 Ca 0.16 -1.00 -0.02 0.00 -1.03 0.00 0.00 54.13 52.25 1ng1 s LEU 242 Cb -0.05 -0.76 0.04 0.00 0.03 0.00 0.00 46.19 45.45 1ng1 s LEU 242 CO 0.10 -0.12 -0.00 -0.69 0.23 0.00 0.00 176.35 175.87 1ng1 s VAL 243 N -2.75 0.63 -0.40 -1.59 1.01 -0.30 -0.99 120.40 116.00 1ng1 s VAL 243 Ca 0.22 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 1ng1 s VAL 243 Cb -0.02 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1ng1 s VAL 243 CO 0.08 0.08 0.37 -0.76 0.00 0.00 0.00 175.10 174.87 1ng1 s LEU 244 N 1.84 4.82 0.45 3.92 2.01 -0.95 0.11 118.68 130.89 1ng1 s LEU 244 Ca 0.02 -0.63 0.06 0.00 0.01 0.00 0.00 54.13 53.59 1ng1 s LEU 244 Cb -0.15 -2.30 0.02 0.00 0.01 0.00 0.00 46.19 43.77 1ng1 s LEU 244 CO -0.07 -0.47 0.62 0.42 1.01 0.00 0.00 176.35 177.86 1ng1 s THR 245 N 1.96 2.94 -1.47 5.49 -4.23 0.44 0.12 115.64 120.89 1ng1 s THR 245 Ca 0.10 -0.92 -0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1ng1 s THR 245 Cb -0.18 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.66 1ng1 s THR 245 CO 0.12 -0.00 0.02 0.29 -0.54 0.00 0.00 174.62 174.50 1ng1 n LYS 246 N -1.97 -2.00 0.25 3.99 5.02 -1.14 -1.66 118.16 120.66 1ng1 n LYS 246 Ca 0.08 0.83 0.17 0.00 -2.02 0.00 0.00 58.31 57.37 1ng1 n LYS 246 Cb 0.59 -5.47 0.74 0.00 -0.02 0.00 0.00 35.03 30.87 1ng1 n LYS 246 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1ng1 h LEU 247 N -0.04 0.00 -0.33 -0.35 3.38 -1.49 -1.17 115.31 115.31 1ng1 h LEU 247 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1ng1 h LEU 247 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1ng1 h LEU 247 CO 0.48 0.00 0.00 -2.24 0.09 0.00 0.00 178.44 176.77 1ng1 h ASP 248 N 0.00 0.00 -0.30 -0.43 2.03 -1.78 -2.85 116.42 113.09 1ng1 h ASP 248 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ng1 h ASP 248 Cb 0.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 1ng1 h ASP 248 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1ng1 n GLY 249 N 0.76 1.89 3.43 7.15 0.00 -0.46 -4.93 105.19 113.04 1ng1 n GLY 249 Ca 0.04 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 1ng1 n GLY 249 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ng1 s ASP 250 N -1.04 5.65 0.01 1.61 2.15 -1.08 -4.93 116.67 119.05 1ng1 s ASP 250 Ca 0.24 -0.64 0.22 0.00 0.43 0.00 0.00 52.55 52.80 1ng1 s ASP 250 Cb 0.14 -2.02 -0.11 0.00 -0.30 0.00 0.00 42.92 40.62 1ng1 s ASP 250 CO 0.18 -0.25 0.90 0.00 -0.17 0.00 0.00 175.17 175.83 1ng1 n ALA 251 N 5.00 3.95 -0.05 3.66 0.00 -1.26 -3.38 120.51 128.43 1ng1 n ALA 251 Ca -0.13 -0.51 -0.03 0.00 0.00 0.00 0.00 53.44 52.77 1ng1 n ALA 251 Cb 0.48 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 1ng1 n ALA 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ng1 h ARG 252 N 0.00 0.00 0.00 0.00 3.08 -1.86 -2.81 114.38 112.79 1ng1 h ARG 252 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ng1 h ARG 252 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1ng1 h ARG 252 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1ng1 n GLY 253 N 1.68 0.78 0.26 0.04 0.00 -1.26 -4.55 105.19 102.13 1ng1 n GLY 253 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.00 1ng1 n GLY 253 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ng1 h GLY 254 N 0.00 1.03 1.01 -0.02 0.00 -1.41 -1.35 103.07 102.33 1ng1 h GLY 254 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 1ng1 h GLY 254 CO 0.00 -0.02 0.18 0.00 0.00 0.00 0.00 176.54 176.70 1ng1 h ALA 255 N 1.47 0.80 -0.60 3.60 0.00 -1.79 -1.24 119.26 121.50 1ng1 h ALA 255 Ca 0.36 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1ng1 h ALA 255 Cb 0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1ng1 h ALA 255 CO -0.33 0.48 0.01 0.00 0.00 0.00 0.00 179.25 179.41 1ng1 h ALA 256 N 1.06 0.88 0.00 0.00 0.00 -1.79 -0.55 119.26 118.86 1ng1 h ALA 256 Ca 0.20 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1ng1 h ALA 256 Cb 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ng1 h ALA 256 CO -0.00 0.66 -0.33 -0.07 0.00 0.00 0.00 179.25 179.50 1ng1 h LEU 257 N 0.96 0.00 0.00 0.00 3.38 -1.12 -3.31 115.31 115.22 1ng1 h LEU 257 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ng1 h LEU 257 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ng1 h LEU 257 CO 0.03 0.33 -1.62 -1.20 0.09 0.00 0.00 178.44 176.07 1ng1 n SER 258 N -3.27 0.31 -0.23 -0.43 7.64 -0.48 -4.55 113.62 112.62 1ng1 n SER 258 Ca 0.02 -0.05 -0.01 0.00 1.01 0.00 0.00 58.87 59.84 1ng1 n SER 258 Cb 0.60 1.50 0.06 0.00 -1.01 0.00 0.00 64.21 65.35 1ng1 n SER 258 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ng1 h ALA 259 N 2.14 0.30 -0.08 -0.43 0.00 -1.19 -1.55 119.26 118.45 1ng1 h ALA 259 Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1ng1 h ALA 259 Cb 0.93 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 1ng1 h ALA 259 CO 0.00 -0.50 -0.23 -0.09 0.00 0.00 0.00 179.25 178.44 1ng1 h ARG 260 N -0.05 -0.30 0.64 0.00 2.43 -1.80 -0.26 114.38 115.03 1ng1 h ARG 260 Ca 0.30 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.46 1ng1 h ARG 260 Cb 0.53 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1ng1 h ARG 260 CO -0.71 -0.20 -0.31 1.25 -1.51 0.00 0.00 179.97 178.49 1ng1 h HIS 261 N -0.31 -0.80 -0.24 2.20 2.76 -1.70 -0.84 115.15 116.22 1ng1 h HIS 261 Ca 0.09 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1ng1 h HIS 261 Cb 0.43 0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 1ng1 h HIS 261 CO -0.31 -0.46 0.10 0.28 -1.30 0.00 0.00 177.93 176.25 1ng1 h VAL 262 N -0.99 1.16 0.01 5.26 2.07 -1.29 -3.36 116.25 119.12 1ng1 h VAL 262 Ca -0.09 -0.47 -0.35 0.00 0.82 0.00 0.00 66.70 66.61 1ng1 h VAL 262 Cb 0.69 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 1ng1 h VAL 262 CO 0.14 0.16 -2.14 0.35 0.02 0.00 0.00 177.57 176.10 1ng1 n THR 263 N -4.80 1.50 -1.05 2.57 -2.24 -0.11 -4.93 114.28 105.21 1ng1 n THR 263 Ca -0.03 -0.79 -0.02 0.00 -2.27 0.00 0.00 64.05 60.94 1ng1 n THR 263 Cb 0.12 -0.86 -0.01 0.00 -2.10 0.00 0.00 70.33 67.48 1ng1 n THR 263 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ng1 n GLY 264 N 1.76 0.47 3.60 3.38 0.00 -0.32 -5.00 105.19 109.08 1ng1 n GLY 264 Ca -0.29 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 1ng1 n GLY 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ng1 s LYS 265 N -1.15 2.44 0.52 1.61 -0.14 -1.26 -5.06 119.74 116.70 1ng1 s LYS 265 Ca 0.00 -0.81 -0.18 0.00 -1.36 0.00 0.00 55.97 53.61 1ng1 s LYS 265 Cb 0.00 -2.45 -0.07 0.00 -1.68 0.00 0.00 37.83 33.63 1ng1 s LYS 265 CO 0.00 0.57 1.03 -1.25 -0.76 0.00 0.00 175.35 174.94 1ng1 s PRO 266 N -1.71 3.71 -0.35 -1.68 0.04 -1.26 -4.59 135.00 129.15 1ng1 s PRO 266 Ca 0.19 1.22 -0.15 0.00 0.04 0.00 0.00 61.00 62.30 1ng1 s PRO 266 Cb -0.11 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1ng1 s PRO 266 CO 0.10 -0.49 0.36 0.42 0.04 0.00 0.00 177.00 177.44 1ng1 s ILE 267 N -2.26 5.17 -0.11 0.56 1.01 -1.26 -0.25 121.20 124.06 1ng1 s ILE 267 Ca 0.64 -0.04 -0.24 0.00 0.00 0.00 0.00 60.65 61.01 1ng1 s ILE 267 Cb -0.14 -3.85 -0.28 0.00 0.01 0.00 0.00 42.46 38.20 1ng1 s ILE 267 CO 0.27 -0.14 0.74 1.88 0.00 0.00 0.00 174.94 177.69 1ng1 h TYR 268 N 8.50 0.26 -3.60 3.97 0.05 -1.30 -3.41 116.97 121.45 1ng1 h TYR 268 Ca -0.29 -0.19 -0.31 0.00 0.05 0.00 0.00 58.73 57.99 1ng1 h TYR 268 Cb 1.14 -0.01 -0.15 0.00 1.01 0.00 0.00 36.73 38.72 1ng1 h TYR 268 CO 0.68 1.23 -0.68 -0.06 -1.05 0.00 0.00 178.16 178.28 1ng1 s PHE 269 N -2.34 1.26 -0.04 4.88 0.08 -1.22 -0.83 117.98 119.77 1ng1 s PHE 269 Ca -0.18 -0.93 0.04 0.00 0.12 0.00 0.00 56.93 55.97 1ng1 s PHE 269 Cb 0.00 -0.71 0.00 0.00 -0.57 0.00 0.00 43.02 41.74 1ng1 s PHE 269 CO 0.74 -0.11 -0.14 0.00 -0.10 0.00 0.00 175.22 175.62 1ng1 s ALA 270 N -3.53 1.27 -0.24 5.36 0.00 0.57 -2.23 121.76 122.96 1ng1 s ALA 270 Ca 0.22 -0.55 -0.18 0.00 0.00 0.00 0.00 51.96 51.46 1ng1 s ALA 270 Cb 0.05 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1ng1 s ALA 270 CO 0.03 0.22 0.51 0.20 0.00 0.00 0.00 175.76 176.72 1ng1 s GLY 271 N 0.13 1.91 0.00 0.00 0.00 0.12 -1.39 107.32 108.09 1ng1 s GLY 271 Ca -0.04 -0.55 0.06 0.00 0.00 0.00 0.00 44.72 44.18 1ng1 s GLY 271 CO 0.02 1.18 1.08 3.33 0.00 0.00 0.00 173.10 178.71 1ng1 n VAL 272 N 4.97 0.89 -3.60 1.40 0.24 0.16 -1.49 118.33 120.89 1ng1 n VAL 272 Ca -0.04 -0.94 -0.03 0.00 -2.04 0.00 0.00 64.34 61.29 1ng1 n VAL 272 Cb 0.50 0.57 -0.02 0.00 -1.47 0.00 0.00 33.84 33.43 1ng1 n VAL 272 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1ng1 s SER 273 N -0.94 -0.12 0.23 -1.34 1.04 -1.22 -4.45 113.70 106.89 1ng1 s SER 273 Ca 0.11 -0.05 0.26 0.00 0.48 0.00 0.00 55.95 56.75 1ng1 s SER 273 Cb 0.06 0.17 0.81 0.00 0.10 0.00 0.00 66.02 67.15 1ng1 s SER 273 CO 0.08 -0.28 1.76 1.05 0.98 0.00 0.00 173.24 176.83 1ng1 h GLU 274 N 2.00 0.00 -7.05 4.02 4.11 -1.97 -3.41 114.58 112.28 1ng1 h GLU 274 Ca -0.16 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 58.82 1ng1 h GLU 274 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1ng1 h GLU 274 CO 0.25 0.00 0.36 0.15 0.07 0.00 0.00 179.01 179.83 1ng1 s LYS 275 N -3.13 4.12 0.64 1.06 1.02 -1.26 -4.93 119.74 117.25 1ng1 s LYS 275 Ca 0.10 1.22 0.28 0.00 0.02 0.00 0.00 55.97 57.58 1ng1 s LYS 275 Cb 0.12 -2.20 1.53 0.00 -0.52 0.00 0.00 37.83 36.75 1ng1 s LYS 275 CO 0.58 -0.14 1.85 -1.35 -0.92 0.00 0.00 175.35 175.38 1ng1 h PRO 276 N 1.89 0.00 0.00 -1.68 0.11 -1.92 0.27 132.00 130.67 1ng1 h PRO 276 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ng1 h PRO 276 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ng1 h PRO 276 CO 0.61 0.00 -0.47 0.39 -0.21 0.00 0.00 178.00 178.32 1ng1 n GLU 277 N -2.81 0.02 -0.73 1.05 4.71 -1.26 -4.38 120.64 117.24 1ng1 n GLU 277 Ca -0.02 0.01 -0.13 0.00 -0.01 0.00 0.00 57.16 57.00 1ng1 n GLU 277 Cb 0.38 -1.51 -0.08 0.00 -1.01 0.00 0.00 31.44 29.22 1ng1 n GLU 277 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ng1 n GLY 278 N 1.49 2.65 2.96 0.62 0.00 0.95 -4.81 105.19 109.05 1ng1 n GLY 278 Ca 0.05 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 1ng1 n GLY 278 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ng1 s LEU 279 N 0.03 1.78 -0.03 0.99 2.96 -1.26 -0.66 118.68 122.48 1ng1 s LEU 279 Ca 0.45 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1ng1 s LEU 279 Cb 0.18 -0.40 0.01 0.00 0.50 0.00 0.00 46.19 46.48 1ng1 s LEU 279 CO -0.01 0.04 0.09 -1.61 -1.32 0.00 0.00 176.35 173.53 1ng1 s GLU 280 N 0.21 0.11 0.38 1.98 2.02 -0.48 -4.96 118.70 117.95 1ng1 s GLU 280 Ca -0.02 0.10 -0.27 0.00 0.02 0.00 0.00 54.97 54.79 1ng1 s GLU 280 Cb -0.07 0.05 -0.10 0.00 0.10 0.00 0.00 34.13 34.12 1ng1 s GLU 280 CO -0.00 -0.01 1.35 -1.25 0.02 0.00 0.00 175.26 175.36 1ng1 s PRO 281 N -0.01 4.12 -0.18 0.39 0.04 -1.26 -0.32 135.00 137.78 1ng1 s PRO 281 Ca -0.01 2.28 -0.29 0.00 0.04 0.00 0.00 61.00 63.02 1ng1 s PRO 281 Cb -0.01 -2.91 -0.02 0.00 0.04 0.00 0.00 34.50 31.60 1ng1 s PRO 281 CO 0.00 -0.41 1.41 0.12 0.04 0.00 0.00 177.00 178.16 1ng1 s PHE 282 N -1.19 2.51 -0.41 0.56 5.36 -0.01 -4.76 117.98 120.04 1ng1 s PHE 282 Ca 0.53 0.74 0.01 0.00 -0.96 0.00 0.00 56.93 57.26 1ng1 s PHE 282 Cb -0.41 -3.74 0.11 0.00 -0.34 0.00 0.00 43.02 38.64 1ng1 s PHE 282 CO 0.54 -2.35 0.16 0.71 -1.46 0.00 0.00 175.22 172.82 1ng1 s TYR 283 N 4.07 3.60 0.17 10.12 2.02 -1.26 -4.33 117.35 131.73 1ng1 s TYR 283 Ca 0.62 -2.84 -0.21 0.00 -0.37 0.00 0.00 57.07 54.27 1ng1 s TYR 283 Cb -0.24 -3.02 0.08 0.00 -0.40 0.00 0.00 41.96 38.38 1ng1 s TYR 283 CO 0.22 -0.92 1.61 -1.35 -1.57 0.00 0.00 175.55 173.54 1ng1 h PRO 284 N 7.52 -0.20 -0.78 -1.71 0.11 -1.84 0.07 132.00 135.16 1ng1 h PRO 284 Ca -0.07 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 1ng1 h PRO 284 Cb 1.00 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1ng1 h PRO 284 CO 0.61 -0.13 0.31 0.93 -0.21 0.00 0.00 178.00 179.51 1ng1 h GLU 285 N -0.21 1.17 -0.11 1.05 5.08 -1.89 -0.33 114.58 119.34 1ng1 h GLU 285 Ca 0.18 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1ng1 h GLU 285 Cb 0.50 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ng1 h GLU 285 CO -0.51 0.95 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.36 1ng1 h ARG 286 N 1.14 0.19 -0.70 2.33 2.43 -1.86 -2.04 114.38 115.87 1ng1 h ARG 286 Ca 0.26 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1ng1 h ARG 286 Cb 0.22 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1ng1 h ARG 286 CO -0.02 0.45 0.36 1.25 -1.51 0.00 0.00 179.97 180.50 1ng1 h LEU 287 N -0.09 0.89 -0.44 3.80 5.85 -0.86 -0.58 115.31 123.89 1ng1 h LEU 287 Ca 0.03 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1ng1 h LEU 287 Cb 0.37 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1ng1 h LEU 287 CO 0.01 0.75 0.27 0.00 -0.34 0.00 0.00 178.44 179.13 1ng1 h ALA 288 N 1.18 0.56 -0.76 1.25 0.00 -1.02 -0.53 119.26 119.94 1ng1 h ALA 288 Ca 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1ng1 h ALA 288 Cb 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1ng1 h ALA 288 CO -0.04 -0.04 0.35 0.78 0.00 0.00 0.00 179.25 180.30 1ng1 h GLY 289 N 0.55 1.18 0.82 0.00 0.00 -0.91 -2.67 103.07 102.03 1ng1 h GLY 289 Ca 0.17 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1ng1 h GLY 289 CO -0.07 0.56 -0.01 3.21 0.00 0.00 0.00 176.54 180.24 1ng1 h ARG 290 N 1.09 0.36 -0.75 4.80 3.08 -0.58 0.56 114.38 122.94 1ng1 h ARG 290 Ca 0.26 -0.12 0.09 0.00 0.07 0.00 0.00 59.98 60.29 1ng1 h ARG 290 Cb 0.14 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 1ng1 h ARG 290 CO -0.03 0.56 0.49 0.82 -1.07 0.00 0.00 179.97 180.74 1ng1 h ILE 291 N 0.11 0.94 -0.23 2.04 2.04 -0.96 0.10 117.51 121.56 1ng1 h ILE 291 Ca 0.06 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1ng1 h ILE 291 Cb 0.41 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1ng1 h ILE 291 CO 0.01 0.12 0.00 0.18 0.00 0.00 0.00 178.15 178.46 1ng1 n LEU 292 N -4.50 1.47 -2.46 1.44 4.77 -1.02 -4.38 117.00 112.32 1ng1 n LEU 292 Ca 0.12 -0.69 -0.15 0.00 -0.03 0.00 0.00 56.01 55.27 1ng1 n LEU 292 Cb 0.32 -0.15 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1ng1 n LEU 292 CO 0.33 0.34 0.15 0.61 -1.33 0.00 0.00 177.39 177.49 1ng1 n GLY 293 N 1.01 0.00 0.91 -0.72 0.00 0.36 -4.95 105.19 101.80 1ng1 n GLY 293 Ca 0.12 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1ng1 n GLY 293 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35