#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ng1 n PHE 2 N 0.00 -2.04 -0.21 3.17 3.72 0.25 -4.85 117.46 117.50 3ng1 n PHE 2 Ca 0.00 0.79 -0.07 0.00 -0.05 0.00 0.00 57.45 58.13 3ng1 n PHE 2 Cb 0.00 -4.42 0.03 0.00 -0.94 0.00 0.00 39.48 34.15 3ng1 n PHE 2 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3ng1 h GLN 3 N -1.85 0.80 0.62 -1.08 7.50 -1.76 0.35 115.11 119.69 3ng1 h GLN 3 Ca -0.47 -0.07 -0.03 0.00 0.50 0.00 0.00 58.65 58.57 3ng1 h GLN 3 Cb 1.29 -0.17 0.01 0.00 0.05 0.00 0.00 27.48 28.66 3ng1 h GLN 3 CO 0.43 0.57 -0.30 0.37 -1.50 0.00 0.00 178.83 178.40 3ng1 h GLN 4 N 0.79 -0.80 -0.23 1.46 4.15 -1.90 -1.16 115.11 117.42 3ng1 h GLN 4 Ca 0.21 0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.71 3ng1 h GLN 4 Cb -0.02 0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 3ng1 h GLN 4 CO -0.04 -0.52 0.05 1.25 -1.93 0.00 0.00 178.83 177.64 3ng1 h LEU 5 N -0.88 0.02 0.08 -2.39 5.85 -1.59 -1.59 115.31 114.83 3ng1 h LEU 5 Ca -0.09 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.69 3ng1 h LEU 5 Cb 0.65 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 3ng1 h LEU 5 CO 0.14 0.04 -0.33 0.28 -0.34 0.00 0.00 178.44 178.23 3ng1 h SER 6 N 0.14 -0.97 -0.14 1.25 0.02 -0.24 -0.06 113.55 113.55 3ng1 h SER 6 Ca 0.11 0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.22 3ng1 h SER 6 Cb 0.10 0.37 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 3ng1 h SER 6 CO -0.14 -0.41 -0.17 0.00 -1.14 0.00 0.00 176.83 174.98 3ng1 h ALA 7 N 0.12 -0.08 -0.36 3.77 0.00 -1.05 -1.84 119.26 119.83 3ng1 h ALA 7 Ca 0.04 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3ng1 h ALA 7 Cb 0.58 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3ng1 h ALA 7 CO -0.22 -0.61 0.17 0.00 0.00 0.00 0.00 179.25 178.59 3ng1 h ARG 8 N -0.20 0.34 -0.46 0.00 3.08 -1.02 -0.02 114.38 116.09 3ng1 h ARG 8 Ca 0.10 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.15 3ng1 h ARG 8 Cb 0.35 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3ng1 h ARG 8 CO -0.26 0.22 0.28 -0.07 -1.07 0.00 0.00 179.97 179.07 3ng1 h LEU 9 N 0.35 0.45 -1.10 3.04 3.38 -0.75 -0.19 115.31 120.50 3ng1 h LEU 9 Ca 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 3ng1 h LEU 9 Cb 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ng1 h LEU 9 CO -0.12 0.32 -0.33 1.56 0.09 0.00 0.00 178.44 179.97 3ng1 h GLN 10 N 0.56 0.21 -0.08 1.13 4.20 -1.03 -1.46 115.11 118.65 3ng1 h GLN 10 Ca 0.18 -0.08 -0.21 0.00 0.06 0.00 0.00 58.65 58.60 3ng1 h GLN 10 Cb 0.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3ng1 h GLN 10 CO -0.08 0.52 -0.81 1.49 -0.67 0.00 0.00 178.83 179.29 3ng1 h GLU 11 N 0.19 0.53 -0.33 1.46 4.22 -0.47 -1.41 114.58 118.77 3ng1 h GLU 11 Ca 0.02 -0.46 -0.13 0.00 0.08 0.00 0.00 59.36 58.87 3ng1 h GLU 11 Cb 0.68 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3ng1 h GLU 11 CO 0.05 1.09 -0.29 0.00 -2.18 0.00 0.00 179.01 177.68 3ng1 h ALA 12 N 0.76 0.47 -0.28 2.92 0.00 -0.84 -3.13 119.26 119.17 3ng1 h ALA 12 Ca -0.05 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 3ng1 h ALA 12 Cb 1.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3ng1 h ALA 12 CO 0.15 0.50 -0.35 0.82 0.00 0.00 0.00 179.25 180.36 3ng1 h ILE 13 N 0.54 1.29 0.00 0.00 2.04 -1.28 -3.04 117.51 117.06 3ng1 h ILE 13 Ca 0.06 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.41 3ng1 h ILE 13 Cb 0.86 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3ng1 h ILE 13 CO 0.07 0.48 -0.07 1.23 0.00 0.00 0.00 178.15 179.86 3ng1 h GLY 14 N 1.01 0.00 2.00 5.37 0.00 -1.23 -2.42 103.07 107.80 3ng1 h GLY 14 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3ng1 h GLY 14 CO 0.07 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.82 3ng1 h ARG 15 N 0.00 0.00 -0.19 4.80 3.08 -1.48 0.15 114.38 120.75 3ng1 h ARG 15 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ng1 h ARG 15 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3ng1 h ARG 15 CO 0.01 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.19 3ng1 n LEU 16 N -2.85 2.91 -4.89 3.04 4.77 -0.91 -4.96 117.00 114.10 3ng1 n LEU 16 Ca -0.02 -1.12 -0.34 0.00 -0.03 0.00 0.00 56.01 54.50 3ng1 n LEU 16 Cb 0.09 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 3ng1 n LEU 16 CO 0.18 0.56 -0.09 -0.60 -1.33 0.00 0.00 177.39 176.12 3ng1 s ARG 17 N -1.78 3.54 -1.44 3.23 3.52 0.53 -3.56 118.95 122.99 3ng1 s ARG 17 Ca 0.34 -0.17 -0.07 0.00 -0.13 0.00 0.00 55.73 55.70 3ng1 s ARG 17 Cb 0.21 -3.06 0.01 0.00 -1.56 0.00 0.00 34.95 30.55 3ng1 s ARG 17 CO 0.31 0.64 0.88 0.41 -0.81 0.00 0.00 175.30 176.73 3ng1 n GLY 18 N 0.92 -0.51 2.34 8.12 0.00 -1.26 -4.91 105.19 109.89 3ng1 n GLY 18 Ca -0.10 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 3ng1 n GLY 18 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3ng1 n ARG 19 N -4.46 1.12 0.00 1.61 1.85 -1.26 -5.14 116.66 110.38 3ng1 n ARG 19 Ca -0.05 -2.27 0.00 0.00 -1.00 0.00 0.00 57.85 54.53 3ng1 n ARG 19 Cb 0.59 -0.47 0.00 0.00 -1.05 0.00 0.00 32.46 31.53 3ng1 n ARG 19 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3ng1 n GLY 20 N -0.63 -0.15 3.76 2.89 0.00 -1.26 -4.74 105.19 105.06 3ng1 n GLY 20 Ca -0.05 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 3ng1 n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ng1 s ARG 21 N 0.00 3.57 0.30 1.61 0.52 -1.26 -4.84 118.95 118.85 3ng1 s ARG 21 Ca 0.00 2.33 0.08 0.00 -0.52 0.00 0.00 55.73 57.62 3ng1 s ARG 21 Cb 0.00 -2.55 -0.03 0.00 0.52 0.00 0.00 34.95 32.88 3ng1 s ARG 21 CO 0.00 -0.88 0.22 0.96 0.02 0.00 0.00 175.30 175.62 3ng1 s ILE 22 N -1.24 3.82 0.63 1.52 -4.36 -1.26 -5.13 121.20 115.17 3ng1 s ILE 22 Ca 0.63 -1.46 0.07 0.00 -0.26 0.00 0.00 60.65 59.64 3ng1 s ILE 22 Cb -0.42 -3.22 0.11 0.00 1.25 0.00 0.00 42.46 40.18 3ng1 s ILE 22 CO 0.53 -0.26 0.86 0.35 0.24 0.00 0.00 174.94 176.66 3ng1 n THR 23 N -1.24 0.00 -0.00 8.37 -2.24 -1.26 -4.75 114.28 113.15 3ng1 n THR 23 Ca -0.05 -1.85 -0.05 0.00 -2.27 0.00 0.00 64.05 59.83 3ng1 n THR 23 Cb 0.59 -0.61 0.15 0.00 -2.10 0.00 0.00 70.33 68.36 3ng1 n THR 23 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3ng1 h GLU 24 N 0.00 0.54 -0.05 -0.78 4.81 -1.99 -1.72 114.58 115.39 3ng1 h GLU 24 Ca -0.29 -0.23 -0.14 0.00 -0.13 0.00 0.00 59.36 58.57 3ng1 h GLU 24 Cb 1.25 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3ng1 h GLU 24 CO 0.38 0.79 -0.61 0.93 -0.73 0.00 0.00 179.01 179.77 3ng1 h GLU 25 N 0.46 0.17 -0.38 1.92 4.39 -1.98 0.13 114.58 119.29 3ng1 h GLU 25 Ca 0.06 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 3ng1 h GLU 25 Cb 0.76 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3ng1 h GLU 25 CO 0.06 0.72 0.00 -0.44 -1.16 0.00 0.00 179.01 178.20 3ng1 h ASP 26 N 0.12 0.66 -0.19 1.42 3.32 -1.85 -0.48 116.42 119.42 3ng1 h ASP 26 Ca -0.01 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 3ng1 h ASP 26 Cb 1.10 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 3ng1 h ASP 26 CO 0.09 0.81 0.07 0.25 -1.72 0.00 0.00 179.24 178.73 3ng1 h LEU 27 N 0.50 0.28 -0.97 1.55 5.85 -1.06 -2.90 115.31 118.56 3ng1 h LEU 27 Ca 0.11 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3ng1 h LEU 27 Cb 0.46 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3ng1 h LEU 27 CO 0.02 0.39 0.53 0.11 -0.34 0.00 0.00 178.44 179.15 3ng1 h LYS 28 N 0.14 1.24 -0.62 1.25 1.57 -0.61 -0.66 116.57 118.89 3ng1 h LYS 28 Ca 0.06 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3ng1 h LYS 28 Cb 0.21 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3ng1 h LYS 28 CO -0.00 0.89 0.37 0.00 -0.57 0.00 0.00 179.45 180.13 3ng1 h ALA 29 N 1.32 0.81 -0.45 3.86 0.00 -0.99 -0.99 119.26 122.82 3ng1 h ALA 29 Ca 0.32 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 3ng1 h ALA 29 Cb -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3ng1 h ALA 29 CO -0.06 0.09 -0.00 1.15 0.00 0.00 0.00 179.25 180.43 3ng1 h THR 30 N 0.71 1.26 -0.96 0.00 2.02 -1.24 -2.81 112.91 111.88 3ng1 h THR 30 Ca 0.26 -1.05 0.03 0.00 0.77 0.00 0.00 66.41 66.41 3ng1 h THR 30 Cb 0.07 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 3ng1 h THR 30 CO -0.12 0.36 0.63 -0.07 0.37 0.00 0.00 175.52 176.69 3ng1 h LEU 31 N 0.65 1.07 -0.67 2.58 3.38 -0.62 -1.16 115.31 120.54 3ng1 h LEU 31 Ca 0.13 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3ng1 h LEU 31 Cb 0.50 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3ng1 h LEU 31 CO 0.02 0.75 0.18 0.03 0.09 0.00 0.00 178.44 179.51 3ng1 h ARG 32 N 1.25 1.06 -0.49 1.13 3.08 -1.07 -0.73 114.38 118.61 3ng1 h ARG 32 Ca 0.37 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 3ng1 h ARG 32 Cb -0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3ng1 h ARG 32 CO -0.10 0.94 -0.03 0.93 -1.07 0.00 0.00 179.97 180.63 3ng1 h GLU 33 N 0.98 0.83 -0.12 0.04 5.08 -1.14 0.78 114.58 121.04 3ng1 h GLU 33 Ca 0.21 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3ng1 h GLU 33 Cb 0.34 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3ng1 h GLU 33 CO -0.00 0.85 0.06 0.82 -1.00 0.00 0.00 179.01 179.74 3ng1 h ILE 34 N 0.77 1.13 0.17 3.13 2.04 -0.86 0.96 117.51 124.84 3ng1 h ILE 34 Ca 0.14 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.62 3ng1 h ILE 34 Cb 0.51 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3ng1 h ILE 34 CO 0.03 0.12 -0.24 -0.09 0.00 0.00 0.00 178.15 177.97 3ng1 h ARG 35 N 0.06 -0.45 -0.92 2.37 9.65 -0.76 -0.43 114.38 123.90 3ng1 h ARG 35 Ca 0.04 0.03 0.15 0.00 -1.10 0.00 0.00 59.98 59.10 3ng1 h ARG 35 Cb 0.14 0.10 -0.08 0.00 -1.39 0.00 0.00 29.97 28.75 3ng1 h ARG 35 CO -0.00 -0.30 0.59 -0.09 2.80 0.00 0.00 179.97 182.97 3ng1 h ARG 36 N -0.47 0.72 -0.11 0.20 9.65 -0.70 0.21 114.38 123.88 3ng1 h ARG 36 Ca 0.02 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 3ng1 h ARG 36 Cb 0.47 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.88 3ng1 h ARG 36 CO -0.10 0.47 0.01 0.00 2.80 0.00 0.00 179.97 183.15 3ng1 h ALA 37 N 1.59 0.15 -0.89 2.80 0.00 0.10 -0.89 119.26 122.12 3ng1 h ALA 37 Ca 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3ng1 h ALA 37 Cb 0.72 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3ng1 h ALA 37 CO -0.23 -0.18 0.48 -0.07 0.00 0.00 0.00 179.25 179.25 3ng1 h LEU 38 N -0.05 1.12 -0.73 0.00 3.38 -0.24 -1.87 115.31 116.92 3ng1 h LEU 38 Ca 0.03 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3ng1 h LEU 38 Cb 0.32 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3ng1 h LEU 38 CO 0.00 0.91 0.13 0.24 0.09 0.00 0.00 178.44 179.81 3ng1 h MET 39 N 1.25 1.10 0.00 1.13 2.86 -0.81 -2.18 114.93 118.29 3ng1 h MET 39 Ca 0.31 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3ng1 h MET 39 Cb 0.04 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.57 3ng1 h MET 39 CO -0.05 0.99 0.00 -0.44 1.06 0.00 0.00 176.91 178.47 3ng1 h ASP 40 N 1.03 0.00 -0.38 1.22 3.32 -0.75 -2.72 116.42 118.14 3ng1 h ASP 40 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3ng1 h ASP 40 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3ng1 h ASP 40 CO 0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3ng1 n ALA 41 N -2.03 2.83 -3.66 3.45 0.00 -0.74 -4.90 120.51 115.46 3ng1 n ALA 41 Ca 0.02 -0.90 -0.25 0.00 0.00 0.00 0.00 53.44 52.31 3ng1 n ALA 41 Cb 0.33 -1.02 0.07 0.00 0.00 0.00 0.00 19.45 18.84 3ng1 n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ng1 n ASP 42 N 0.56 -5.26 -4.80 0.00 2.03 -1.03 -1.52 116.55 106.53 3ng1 n ASP 42 Ca 0.15 -0.62 -0.38 0.00 0.52 0.00 0.00 54.79 54.46 3ng1 n ASP 42 Cb 0.55 -4.73 -0.06 0.00 -0.72 0.00 0.00 41.12 36.16 3ng1 n ASP 42 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3ng1 s VAL 43 N -3.34 4.57 0.20 5.18 1.01 -0.86 -4.31 120.40 122.84 3ng1 s VAL 43 Ca 0.51 1.37 -0.33 0.00 0.00 0.00 0.00 61.98 63.54 3ng1 s VAL 43 Cb -0.23 -3.95 -0.14 0.00 0.00 0.00 0.00 36.38 32.05 3ng1 s VAL 43 CO 0.76 0.41 1.36 -3.20 0.00 0.00 0.00 175.10 174.43 3ng1 n ASN 44 N 1.28 2.32 -0.11 3.32 2.85 -1.26 -4.77 115.26 118.89 3ng1 n ASN 44 Ca -0.06 1.13 -0.05 0.00 -0.11 0.00 0.00 54.58 55.49 3ng1 n ASN 44 Cb 0.50 -1.35 0.01 0.00 1.24 0.00 0.00 39.78 40.19 3ng1 n ASN 44 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3ng1 h LEU 45 N 4.28 -0.25 -0.67 1.20 5.85 -1.98 0.91 115.31 124.64 3ng1 h LEU 45 Ca -0.45 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 3ng1 h LEU 45 Cb 1.30 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.49 3ng1 h LEU 45 CO 0.76 -0.09 0.37 -0.08 -0.34 0.00 0.00 178.44 179.07 3ng1 h GLU 46 N 0.05 0.93 -0.37 1.25 4.57 -1.99 -0.80 114.58 118.22 3ng1 h GLU 46 Ca 0.18 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3ng1 h GLU 46 Cb 0.27 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 3ng1 h GLU 46 CO -0.35 0.70 0.24 0.28 -1.18 0.00 0.00 179.01 178.70 3ng1 h VAL 47 N 0.91 1.10 -0.59 0.32 2.07 -1.78 -0.76 116.25 117.52 3ng1 h VAL 47 Ca 0.24 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 3ng1 h VAL 47 Cb 0.03 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3ng1 h VAL 47 CO -0.04 0.10 0.19 0.00 0.02 0.00 0.00 177.57 177.83 3ng1 h ALA 48 N 1.13 1.21 0.37 1.67 0.00 -0.51 0.12 119.26 123.25 3ng1 h ALA 48 Ca 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3ng1 h ALA 48 Cb -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3ng1 h ALA 48 CO -0.03 0.55 -0.18 0.00 0.00 0.00 0.00 179.25 179.60 3ng1 h ARG 49 N 0.87 -0.48 -0.83 0.00 3.08 -0.81 -2.33 114.38 113.88 3ng1 h ARG 49 Ca 0.20 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.36 3ng1 h ARG 49 Cb 0.25 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.34 3ng1 h ARG 49 CO -0.01 -0.17 0.49 -0.44 -1.07 0.00 0.00 179.97 178.78 3ng1 h ASP 50 N -0.82 0.74 0.02 7.04 3.32 -1.05 0.69 116.42 126.35 3ng1 h ASP 50 Ca -0.05 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3ng1 h ASP 50 Cb 0.53 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3ng1 h ASP 50 CO 0.08 0.45 -0.06 0.15 -1.72 0.00 0.00 179.24 178.14 3ng1 h PHE 51 N 0.86 -0.19 -0.89 4.55 3.04 -0.70 -1.35 116.94 122.26 3ng1 h PHE 51 Ca 0.38 0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.43 3ng1 h PHE 51 Cb 0.27 0.08 -0.06 0.00 2.56 0.00 0.00 35.95 38.79 3ng1 h PHE 51 CO -0.05 -0.07 0.57 0.28 -2.02 0.00 0.00 178.31 177.02 3ng1 h VAL 52 N -0.09 0.98 -0.12 1.41 2.07 -1.26 -2.12 116.25 117.11 3ng1 h VAL 52 Ca -0.00 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.23 3ng1 h VAL 52 Cb 0.09 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 3ng1 h VAL 52 CO -0.03 0.16 -0.02 -0.08 0.02 0.00 0.00 177.57 177.62 3ng1 h GLU 53 N 0.89 0.02 0.00 1.57 4.22 -0.48 -2.20 114.58 118.60 3ng1 h GLU 53 Ca 0.41 -0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.75 3ng1 h GLU 53 Cb 0.39 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3ng1 h GLU 53 CO -0.17 0.01 -0.49 0.07 -2.18 0.00 0.00 179.01 176.25 3ng1 h ARG 54 N 0.02 0.00 -0.49 1.92 0.11 -0.95 -2.25 114.38 112.74 3ng1 h ARG 54 Ca 0.06 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.11 3ng1 h ARG 54 Cb 0.08 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.13 3ng1 h ARG 54 CO -0.11 0.49 0.19 0.28 0.10 0.00 0.00 179.97 180.92 3ng1 h VAL 55 N 0.00 1.21 0.07 0.08 2.07 -1.05 0.86 116.25 119.49 3ng1 h VAL 55 Ca -0.00 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 3ng1 h VAL 55 Cb 1.02 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3ng1 h VAL 55 CO 0.06 0.25 -0.03 -0.09 0.02 0.00 0.00 177.57 177.78 3ng1 h ARG 56 N 0.66 -0.09 -0.29 1.57 2.43 -1.32 -1.98 114.38 115.36 3ng1 h ARG 56 Ca 0.16 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3ng1 h ARG 56 Cb 0.21 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3ng1 h ARG 56 CO -0.01 0.37 0.12 0.93 -1.51 0.00 0.00 179.97 179.86 3ng1 h GLU 57 N -0.57 0.44 -0.42 0.20 4.39 -1.39 0.15 114.58 117.37 3ng1 h GLU 57 Ca -0.01 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 3ng1 h GLU 57 Cb 0.49 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 3ng1 h GLU 57 CO 0.01 0.45 -0.04 1.49 -1.16 0.00 0.00 179.01 179.77 3ng1 h GLU 58 N 0.33 0.70 -0.12 2.33 4.81 -0.92 0.59 114.58 122.29 3ng1 h GLU 58 Ca 0.10 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3ng1 h GLU 58 Cb 0.18 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3ng1 h GLU 58 CO -0.01 0.75 -0.02 0.00 -0.73 0.00 0.00 179.01 178.99 3ng1 h ALA 59 N 1.30 0.17 -0.62 2.92 0.00 -1.08 -2.49 119.26 119.47 3ng1 h ALA 59 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ng1 h ALA 59 Cb 0.47 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3ng1 h ALA 59 CO 0.02 -0.10 0.39 -0.07 0.00 0.00 0.00 179.25 179.50 3ng1 h LEU 60 N -0.07 0.73 -0.83 0.00 3.38 -0.49 -1.17 115.31 116.87 3ng1 h LEU 60 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ng1 h LEU 60 Cb 0.43 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3ng1 h LEU 60 CO 0.01 0.56 0.00 0.61 0.09 0.00 0.00 178.44 179.71 3ng1 n GLY 61 N -1.20 -0.82 1.44 0.83 0.00 0.18 -0.46 105.19 105.16 3ng1 n GLY 61 Ca 0.05 0.11 0.01 0.00 0.00 0.00 0.00 46.02 46.18 3ng1 n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ng1 n LYS 62 N -1.98 3.18 -3.99 1.61 5.02 -0.49 -4.94 118.16 116.56 3ng1 n LYS 62 Ca -0.00 -3.03 -0.31 0.00 -2.02 0.00 0.00 58.31 52.95 3ng1 n LYS 62 Cb 0.06 -2.02 0.01 0.00 -0.02 0.00 0.00 35.03 33.06 3ng1 n LYS 62 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3ng1 n GLN 63 N -0.41 -4.63 0.07 1.97 3.00 0.40 -4.85 117.38 112.93 3ng1 n GLN 63 Ca 0.32 0.52 0.15 0.00 -0.01 0.00 0.00 57.00 57.98 3ng1 n GLN 63 Cb 1.13 -5.28 0.65 0.00 0.00 0.00 0.00 30.24 26.75 3ng1 n GLN 63 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 3ng1 h VAL 64 N -1.88 0.84 0.00 5.09 3.04 -1.57 -0.24 116.25 121.53 3ng1 h VAL 64 Ca -0.59 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 3ng1 h VAL 64 Cb 1.38 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 3ng1 h VAL 64 CO 0.69 0.01 0.00 0.18 -1.01 0.00 0.00 177.57 177.44 3ng1 n LEU 65 N -4.44 0.00 -0.06 3.16 4.77 -1.26 -2.58 117.00 116.59 3ng1 n LEU 65 Ca 0.06 0.33 0.01 0.00 -0.03 0.00 0.00 56.01 56.37 3ng1 n LEU 65 Cb 0.41 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3ng1 n LEU 65 CO 0.36 -0.04 0.28 -0.62 -1.33 0.00 0.00 177.39 176.04 3ng1 n GLU 66 N -1.33 -0.69 -2.63 3.23 1.02 -0.19 -4.61 120.64 115.44 3ng1 n GLU 66 Ca 0.11 -0.62 -0.37 0.00 -0.02 0.00 0.00 57.16 56.27 3ng1 n GLU 66 Cb 0.23 -1.03 -0.05 0.00 -0.02 0.00 0.00 31.44 30.57 3ng1 n GLU 66 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3ng1 s SER 67 N -0.15 6.98 0.06 1.62 0.15 -0.68 -4.95 113.70 116.73 3ng1 s SER 67 Ca 0.02 1.97 0.25 0.00 0.70 0.00 0.00 55.95 58.88 3ng1 s SER 67 Cb 0.01 -2.58 0.42 0.00 -1.71 0.00 0.00 66.02 62.16 3ng1 s SER 67 CO 0.02 -0.33 1.36 0.18 1.20 0.00 0.00 173.24 175.66 3ng1 n LEU 68 N 0.16 0.59 -3.07 3.45 4.77 -1.26 -4.12 117.00 117.53 3ng1 n LEU 68 Ca 0.04 0.13 -0.23 0.00 -0.03 0.00 0.00 56.01 55.92 3ng1 n LEU 68 Cb 0.50 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 3ng1 n LEU 68 CO 0.45 0.03 -0.03 0.35 -1.33 0.00 0.00 177.39 176.85 3ng1 n THR 69 N -1.84 1.54 -0.14 -5.08 -2.24 -1.26 -4.76 114.28 100.50 3ng1 n THR 69 Ca 0.04 -5.11 -0.04 0.00 -2.27 0.00 0.00 64.05 56.68 3ng1 n THR 69 Cb 0.39 -0.90 0.05 0.00 -2.10 0.00 0.00 70.33 67.77 3ng1 n THR 69 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3ng1 h PRO 70 N 3.03 0.26 -0.79 -0.78 0.11 -1.80 -1.93 132.00 130.09 3ng1 h PRO 70 Ca 0.12 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.31 3ng1 h PRO 70 Cb 0.72 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.72 3ng1 h PRO 70 CO 0.67 0.17 0.52 0.00 -0.21 0.00 0.00 178.00 179.15 3ng1 h ALA 71 N 1.32 1.77 -0.39 -0.75 0.00 -1.84 0.11 119.26 119.49 3ng1 h ALA 71 Ca 0.22 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3ng1 h ALA 71 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ng1 h ALA 71 CO -0.26 0.07 -0.26 0.93 0.00 0.00 0.00 179.25 179.73 3ng1 h GLU 72 N 0.72 0.80 -0.18 0.00 3.07 -1.71 0.13 114.58 117.40 3ng1 h GLU 72 Ca 0.36 -0.35 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 3ng1 h GLU 72 Cb 0.45 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 3ng1 h GLU 72 CO -0.14 0.97 0.01 0.28 -1.40 0.00 0.00 179.01 178.73 3ng1 h VAL 73 N 0.69 1.24 -0.79 3.13 2.07 -0.86 -2.42 116.25 119.31 3ng1 h VAL 73 Ca 0.09 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3ng1 h VAL 73 Cb 0.79 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 3ng1 h VAL 73 CO 0.07 0.25 0.42 0.40 0.02 0.00 0.00 177.57 178.72 3ng1 h ILE 74 N 0.09 1.23 -0.81 4.57 1.08 -0.87 -1.48 117.51 121.32 3ng1 h ILE 74 Ca 0.05 -0.60 -0.01 0.00 -0.39 0.00 0.00 64.86 63.92 3ng1 h ILE 74 Cb 0.36 0.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.25 3ng1 h ILE 74 CO 0.01 0.27 0.46 0.25 -0.69 0.00 0.00 178.15 178.45 3ng1 h LEU 75 N 1.10 0.98 -0.34 1.44 5.85 -0.59 0.12 115.31 123.88 3ng1 h LEU 75 Ca 0.28 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 3ng1 h LEU 75 Cb 0.04 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3ng1 h LEU 75 CO -0.04 0.77 -0.18 0.00 -0.34 0.00 0.00 178.44 178.65 3ng1 h ALA 76 N 1.39 0.48 -0.11 1.25 0.00 -0.84 -1.61 119.26 119.82 3ng1 h ALA 76 Ca 0.29 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3ng1 h ALA 76 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ng1 h ALA 76 CO -0.05 0.41 -0.45 1.79 0.00 0.00 0.00 179.25 180.95 3ng1 h THR 77 N 0.49 1.32 -0.37 0.00 1.35 -0.91 -2.47 112.91 112.32 3ng1 h THR 77 Ca 0.07 -1.62 -0.15 0.00 -0.55 0.00 0.00 66.41 64.17 3ng1 h THR 77 Cb 0.72 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 3ng1 h THR 77 CO 0.05 0.48 -0.36 0.58 -0.25 0.00 0.00 175.52 176.03 3ng1 h VAL 78 N 0.21 1.28 -0.80 6.82 2.07 -0.90 -2.04 116.25 122.89 3ng1 h VAL 78 Ca 0.01 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 3ng1 h VAL 78 Cb 0.88 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 3ng1 h VAL 78 CO 0.07 0.51 0.49 0.22 0.02 0.00 0.00 177.57 178.88 3ng1 h TYR 79 N 0.71 1.05 -0.52 1.57 5.03 -1.05 -0.86 116.97 122.90 3ng1 h TYR 79 Ca 0.07 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.27 3ng1 h TYR 79 Cb 0.93 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 38.85 3ng1 h TYR 79 CO 0.05 0.70 -0.09 0.93 -1.32 0.00 0.00 178.16 178.43 3ng1 h GLU 80 N 1.09 0.98 -0.47 1.82 4.39 -1.30 0.16 114.58 121.25 3ng1 h GLU 80 Ca 0.29 -0.36 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 3ng1 h GLU 80 Cb -0.05 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 3ng1 h GLU 80 CO -0.05 1.03 0.02 0.00 -1.16 0.00 0.00 179.01 178.85 3ng1 h ALA 81 N 0.92 1.15 -0.23 3.43 0.00 -1.03 -1.61 119.26 121.88 3ng1 h ALA 81 Ca 0.14 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3ng1 h ALA 81 Cb 0.65 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ng1 h ALA 81 CO 0.04 0.55 -0.23 -0.07 0.00 0.00 0.00 179.25 179.54 3ng1 h LEU 82 N 0.72 0.61 -1.00 0.00 3.38 -0.88 -2.37 115.31 115.77 3ng1 h LEU 82 Ca 0.15 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.68 3ng1 h LEU 82 Cb 0.41 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3ng1 h LEU 82 CO 0.02 0.96 0.65 0.50 0.09 0.00 0.00 178.44 180.66 3ng1 h LYS 83 N 0.27 1.20 0.35 1.13 3.64 -0.41 -1.50 116.57 121.24 3ng1 h LYS 83 Ca 0.04 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3ng1 h LYS 83 Cb 0.79 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3ng1 h LYS 83 CO 0.06 0.80 -0.17 1.49 -2.27 0.00 0.00 179.45 179.36 3ng1 h GLU 84 N 1.24 -0.45 -0.87 1.90 4.81 -1.22 0.51 114.58 120.50 3ng1 h GLU 84 Ca 0.41 0.03 0.20 0.00 -0.13 0.00 0.00 59.36 59.87 3ng1 h GLU 84 Cb 0.05 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 3ng1 h GLU 84 CO -0.14 -0.17 0.58 0.00 -0.73 0.00 0.00 179.01 178.55 3ng1 h ALA 85 N -0.12 2.28 -0.00 2.92 0.00 -1.14 -0.00 119.26 123.20 3ng1 h ALA 85 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ng1 h ALA 85 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ng1 h ALA 85 CO 0.08 -0.55 -0.23 1.28 0.00 0.00 0.00 179.25 179.83 3ng1 n LEU 86 N -4.47 0.62 0.00 0.00 4.77 -0.59 -4.46 117.00 112.87 3ng1 n LEU 86 Ca 0.18 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3ng1 n LEU 86 Cb 0.71 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3ng1 n LEU 86 CO 0.32 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3ng1 n GLY 87 N 1.36 1.09 7.00 -0.72 0.00 -0.02 -4.72 105.19 109.19 3ng1 n GLY 87 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3ng1 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ng1 n GLY 88 N 0.00 1.27 3.87 -0.02 0.00 0.18 -4.71 105.19 105.77 3ng1 n GLY 88 Ca 0.00 0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 3ng1 n GLY 88 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ng1 s GLU 89 N 0.00 3.79 0.51 1.61 2.12 -1.26 -4.13 118.70 121.33 3ng1 s GLU 89 Ca 0.00 0.21 -0.19 0.00 0.36 0.00 0.00 54.97 55.35 3ng1 s GLU 89 Cb 0.00 -2.97 -0.07 0.00 0.26 0.00 0.00 34.13 31.34 3ng1 s GLU 89 CO 0.00 0.54 1.05 0.00 -0.54 0.00 0.00 175.26 176.30 3ng1 s ALA 90 N -1.43 2.84 0.02 6.30 0.00 -1.26 -4.89 121.76 123.33 3ng1 s ALA 90 Ca 0.34 0.57 -0.15 0.00 0.00 0.00 0.00 51.96 52.73 3ng1 s ALA 90 Cb -0.14 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.75 3ng1 s ALA 90 CO 0.19 -0.42 0.32 -0.98 0.00 0.00 0.00 175.76 174.87 3ng1 s ARG 91 N -3.40 0.76 0.05 0.00 1.70 -1.26 -5.08 118.95 111.71 3ng1 s ARG 91 Ca 0.67 -0.34 -0.01 0.00 -0.47 0.00 0.00 55.73 55.58 3ng1 s ARG 91 Cb -0.17 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 3ng1 s ARG 91 CO 0.23 -0.23 -0.03 -0.51 -1.08 0.00 0.00 175.30 173.69 3ng1 s LEU 92 N -1.70 2.43 0.48 -1.89 1.43 -1.26 -4.48 118.68 113.68 3ng1 s LEU 92 Ca -0.09 -0.91 -0.23 0.00 -1.03 0.00 0.00 54.13 51.87 3ng1 s LEU 92 Cb -0.03 0.20 -0.08 0.00 0.03 0.00 0.00 46.19 46.31 3ng1 s LEU 92 CO 0.01 -0.55 1.10 -2.65 0.23 0.00 0.00 176.35 174.48 3ng1 n PRO 93 N 0.36 1.42 -3.00 1.29 -0.02 -1.26 -4.91 135.00 128.88 3ng1 n PRO 93 Ca -0.16 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.42 3ng1 n PRO 93 Cb 0.60 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 3ng1 n PRO 93 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ng1 s VAL 94 N -1.32 4.81 0.33 -1.45 0.11 -1.26 -5.03 120.40 116.59 3ng1 s VAL 94 Ca 0.67 0.94 -0.20 0.00 -2.93 0.00 0.00 61.98 60.46 3ng1 s VAL 94 Cb -0.49 -4.13 -0.10 0.00 -1.53 0.00 0.00 36.38 30.13 3ng1 s VAL 94 CO 0.54 -0.31 0.84 -0.76 -3.33 0.00 0.00 175.10 172.08 3ng1 s LEU 95 N 2.92 4.14 0.00 2.54 1.43 -1.26 -5.08 118.68 123.37 3ng1 s LEU 95 Ca 0.30 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 3ng1 s LEU 95 Cb -0.14 -4.09 -0.00 0.00 0.03 0.00 0.00 46.19 41.99 3ng1 s LEU 95 CO 0.14 -0.17 0.00 0.29 0.23 0.00 0.00 176.35 176.84 3ng1 n LYS 96 N -0.02 1.88 -0.12 1.70 5.02 -1.26 -5.04 118.16 120.32 3ng1 n LYS 96 Ca 0.03 -0.21 -0.08 0.00 -2.02 0.00 0.00 58.31 56.03 3ng1 n LYS 96 Cb 0.52 0.06 0.08 0.00 -0.02 0.00 0.00 35.03 35.68 3ng1 n LYS 96 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3ng1 h ASP 97 N 0.07 0.86 -3.14 4.39 5.19 -1.98 -3.40 116.42 118.41 3ng1 h ASP 97 Ca -0.02 -0.27 -0.65 0.00 -0.62 0.00 0.00 57.03 55.46 3ng1 h ASP 97 Cb 0.07 -0.23 -0.35 0.00 0.18 0.00 0.00 39.33 39.00 3ng1 h ASP 97 CO 0.04 0.99 -0.85 -0.60 -3.12 0.00 0.00 179.24 175.70 3ng1 s ARG 98 N -4.78 2.76 -0.06 3.56 3.00 -1.26 -4.70 118.95 117.47 3ng1 s ARG 98 Ca -0.10 -0.75 0.02 0.00 -1.00 0.00 0.00 55.73 53.90 3ng1 s ARG 98 Cb 0.13 -2.35 0.01 0.00 0.00 0.00 0.00 34.95 32.75 3ng1 s ARG 98 CO 0.84 -0.14 -0.11 -0.80 0.00 0.00 0.00 175.30 175.09 3ng1 s ASN 99 N 1.14 1.66 -0.13 -2.12 -0.87 0.15 -5.04 114.94 109.73 3ng1 s ASN 99 Ca -0.00 -0.27 -0.00 0.00 -1.57 0.00 0.00 52.86 51.01 3ng1 s ASN 99 Cb -0.14 -0.75 0.03 0.00 -0.02 0.00 0.00 41.25 40.36 3ng1 s ASN 99 CO -0.08 0.03 -0.08 -0.22 -2.57 0.00 0.00 177.10 174.18 3ng1 s LEU 100 N 0.66 1.31 0.12 0.60 0.20 -1.26 0.28 118.68 120.58 3ng1 s LEU 100 Ca -0.14 -0.38 0.10 0.00 0.69 0.00 0.00 54.13 54.40 3ng1 s LEU 100 Cb -0.15 -0.88 -0.04 0.00 -0.43 0.00 0.00 46.19 44.68 3ng1 s LEU 100 CO 0.03 -0.13 -0.24 0.26 -0.29 0.00 0.00 176.35 175.99 3ng1 s TRP 101 N 1.68 2.39 -0.13 5.38 0.51 0.53 0.62 118.94 129.92 3ng1 s TRP 101 Ca 0.04 -0.34 -0.03 0.00 -2.12 0.00 0.00 56.10 53.65 3ng1 s TRP 101 Cb -0.13 -1.29 -0.03 0.00 -0.81 0.00 0.00 33.47 31.21 3ng1 s TRP 101 CO -0.08 0.35 -0.02 -0.06 -0.51 0.00 0.00 176.95 176.63 3ng1 s PHE 102 N -1.08 3.08 -0.32 -1.98 0.40 -0.36 -0.50 117.98 117.22 3ng1 s PHE 102 Ca 0.15 -0.08 -0.06 0.00 -0.60 0.00 0.00 56.93 56.34 3ng1 s PHE 102 Cb -0.10 -1.90 0.03 0.00 0.51 0.00 0.00 43.02 41.56 3ng1 s PHE 102 CO 0.07 0.16 0.08 -0.51 0.70 0.00 0.00 175.22 175.72 3ng1 s LEU 103 N -0.09 4.10 0.24 -0.37 1.02 0.07 0.43 118.68 124.09 3ng1 s LEU 103 Ca 0.03 -1.03 0.11 0.00 0.02 0.00 0.00 54.13 53.26 3ng1 s LEU 103 Cb -0.13 -1.84 -0.05 0.00 0.02 0.00 0.00 46.19 44.19 3ng1 s LEU 103 CO 0.02 -0.28 -0.17 0.68 0.02 0.00 0.00 176.35 176.63 3ng1 s VAL 104 N 1.41 2.67 0.00 -1.59 -7.23 0.83 -2.35 120.40 114.13 3ng1 s VAL 104 Ca -0.01 -2.16 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 3ng1 s VAL 104 Cb -0.19 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.39 3ng1 s VAL 104 CO 0.02 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 3ng1 n GLY 105 N -0.35 -0.42 3.87 2.32 0.00 -1.26 -0.40 105.19 108.94 3ng1 n GLY 105 Ca -0.08 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 3ng1 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ng1 s LEU 106 N 0.00 3.59 0.07 0.99 1.43 -1.26 -4.48 118.68 119.02 3ng1 s LEU 106 Ca 0.00 1.28 -0.31 0.00 -1.03 0.00 0.00 54.13 54.07 3ng1 s LEU 106 Cb 0.00 -4.23 -0.07 0.00 0.03 0.00 0.00 46.19 41.92 3ng1 s LEU 106 CO 0.00 -0.59 1.44 -1.58 0.23 0.00 0.00 176.35 175.85 3ng1 s GLN 107 N -4.39 4.28 0.00 1.70 0.74 -1.06 -2.15 119.66 118.79 3ng1 s GLN 107 Ca 0.53 2.09 0.00 0.00 0.05 0.00 0.00 55.36 58.04 3ng1 s GLN 107 Cb -0.10 -3.41 0.00 0.00 1.10 0.00 0.00 33.01 30.60 3ng1 s GLN 107 CO 0.39 -0.54 0.00 0.41 -0.55 0.00 0.00 175.29 175.00 3ng1 n GLY 108 N 3.64 0.41 0.01 2.59 0.00 -1.26 -4.57 105.19 106.01 3ng1 n GLY 108 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 3ng1 n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ng1 n SER 109 N 0.00 0.17 0.00 1.61 3.41 -0.91 -4.88 113.62 113.02 3ng1 n SER 109 Ca 0.00 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 3ng1 n SER 109 Cb 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 3ng1 n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ng1 n GLY 110 N 1.48 0.82 0.39 5.00 0.00 -1.26 -3.85 105.19 107.77 3ng1 n GLY 110 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 3ng1 n GLY 110 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ng1 h LYS 111 N 3.95 -0.49 -0.08 1.61 3.64 -1.87 0.30 116.57 123.63 3ng1 h LYS 111 Ca 0.00 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3ng1 h LYS 111 Cb 0.00 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3ng1 h LYS 111 CO 0.00 -0.32 -0.02 1.15 -2.27 0.00 0.00 179.45 177.99 3ng1 h THR 112 N -0.50 0.92 -0.82 1.00 2.02 -1.94 -1.84 112.91 111.75 3ng1 h THR 112 Ca 0.07 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 3ng1 h THR 112 Cb 0.62 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 3ng1 h THR 112 CO -0.37 0.00 0.39 0.71 0.37 0.00 0.00 175.52 176.62 3ng1 h THR 113 N -0.00 1.26 -1.00 3.16 1.35 -1.95 -2.25 112.91 113.48 3ng1 h THR 113 Ca 0.04 -0.72 0.05 0.00 -0.55 0.00 0.00 66.41 65.23 3ng1 h THR 113 Cb 0.06 0.22 -0.06 0.00 -1.73 0.00 0.00 68.15 66.64 3ng1 h THR 113 CO -0.08 0.31 0.65 0.74 -0.25 0.00 0.00 175.52 176.88 3ng1 h THR 114 N 1.16 1.12 -0.36 6.82 2.02 -0.63 0.23 112.91 123.28 3ng1 h THR 114 Ca 0.28 -0.41 0.06 0.00 0.77 0.00 0.00 66.41 67.11 3ng1 h THR 114 Cb 0.13 -0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 66.29 3ng1 h THR 114 CO -0.03 0.22 0.00 0.00 0.37 0.00 0.00 175.52 176.08 3ng1 h ALA 115 N 1.43 0.33 -0.13 6.16 0.00 -0.73 0.36 119.26 126.68 3ng1 h ALA 115 Ca 0.42 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 3ng1 h ALA 115 Cb 0.10 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ng1 h ALA 115 CO -0.15 -0.40 0.03 0.00 0.00 0.00 0.00 179.25 178.73 3ng1 h ALA 116 N 1.32 0.18 -0.70 0.00 0.00 -1.03 -1.25 119.26 117.78 3ng1 h ALA 116 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ng1 h ALA 116 Cb 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3ng1 h ALA 116 CO -0.29 -0.18 0.38 0.87 0.00 0.00 0.00 179.25 180.03 3ng1 h LYS 117 N 0.01 0.96 -0.70 0.00 1.57 -0.62 0.36 116.57 118.15 3ng1 h LYS 117 Ca 0.04 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3ng1 h LYS 117 Cb 0.27 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3ng1 h LYS 117 CO 0.00 0.71 0.16 1.25 -0.57 0.00 0.00 179.45 181.00 3ng1 h LEU 118 N 0.97 1.07 -0.37 2.94 5.85 -0.13 0.76 115.31 126.40 3ng1 h LEU 118 Ca 0.25 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3ng1 h LEU 118 Cb 0.02 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3ng1 h LEU 118 CO -0.04 1.02 0.15 0.00 -0.34 0.00 0.00 178.44 179.23 3ng1 h ALA 119 N 1.10 0.48 -0.55 1.25 0.00 -0.16 -2.03 119.26 119.35 3ng1 h ALA 119 Ca 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3ng1 h ALA 119 Cb 0.38 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3ng1 h ALA 119 CO 0.00 0.08 0.27 1.25 0.00 0.00 0.00 179.25 180.86 3ng1 h LEU 120 N 0.45 0.71 0.41 0.00 5.85 -0.62 -0.93 115.31 121.19 3ng1 h LEU 120 Ca 0.12 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3ng1 h LEU 120 Cb 0.19 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3ng1 h LEU 120 CO -0.01 0.63 -0.33 0.22 -0.34 0.00 0.00 178.44 178.60 3ng1 h TYR 121 N 0.73 -0.89 0.00 1.25 3.20 -0.58 -1.36 116.97 119.32 3ng1 h TYR 121 Ca 0.19 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 3ng1 h TYR 121 Cb 0.10 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3ng1 h TYR 121 CO -0.01 -0.49 -0.30 1.88 -1.64 0.00 0.00 178.16 177.61 3ng1 h TYR 122 N -0.75 0.00 -0.54 -3.82 0.05 -1.38 -2.29 116.97 108.25 3ng1 h TYR 122 Ca -0.04 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 3ng1 h TYR 122 Cb 0.65 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.36 3ng1 h TYR 122 CO -0.16 0.30 0.27 -0.22 -1.05 0.00 0.00 178.16 177.30 3ng1 h LYS 123 N 0.00 0.78 0.00 4.88 3.64 -0.86 -0.13 116.57 124.88 3ng1 h LYS 123 Ca -0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3ng1 h LYS 123 Cb 0.70 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3ng1 h LYS 123 CO 0.04 0.63 0.00 0.41 -2.27 0.00 0.00 179.45 178.26 3ng1 n GLY 124 N -0.95 -0.83 1.00 5.01 0.00 -0.54 -2.16 105.19 106.72 3ng1 n GLY 124 Ca 0.03 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.04 3ng1 n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ng1 n LYS 125 N -1.26 2.98 -0.93 1.61 4.76 -0.14 -4.96 118.16 120.23 3ng1 n LYS 125 Ca 0.09 -2.42 0.00 0.00 -2.87 0.00 0.00 58.31 53.11 3ng1 n LYS 125 Cb 0.13 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 3ng1 n LYS 125 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ng1 n GLY 126 N 0.80 1.03 3.63 0.72 0.00 -0.92 -5.05 105.19 105.40 3ng1 n GLY 126 Ca 0.18 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 3ng1 n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ng1 s ARG 127 N -2.21 2.22 -0.71 1.61 1.81 -0.74 -5.03 118.95 115.89 3ng1 s ARG 127 Ca 0.00 -1.47 0.03 0.00 -1.72 0.00 0.00 55.73 52.57 3ng1 s ARG 127 Cb 0.00 -2.11 0.17 0.00 -0.45 0.00 0.00 34.95 32.56 3ng1 s ARG 127 CO 0.00 0.35 0.52 1.03 -0.68 0.00 0.00 175.30 176.52 3ng1 s ARG 128 N -3.66 2.58 0.67 3.54 0.52 -1.26 -4.32 118.95 117.02 3ng1 s ARG 128 Ca 0.31 -3.16 -0.11 0.00 -0.52 0.00 0.00 55.73 52.26 3ng1 s ARG 128 Cb -0.06 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 3ng1 s ARG 128 CO 0.19 -1.24 1.05 -1.25 0.02 0.00 0.00 175.30 174.07 3ng1 s PRO 129 N -1.14 3.15 -0.06 3.54 0.04 -1.26 -1.39 135.00 137.88 3ng1 s PRO 129 Ca 0.24 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.15 3ng1 s PRO 129 Cb -0.10 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.45 3ng1 s PRO 129 CO -0.12 -0.93 0.02 -1.17 0.04 0.00 0.00 177.00 174.84 3ng1 s LEU 130 N -5.41 0.50 0.00 -3.56 2.96 0.11 -4.43 118.68 108.85 3ng1 s LEU 130 Ca 0.57 -0.04 -0.21 0.00 -0.22 0.00 0.00 54.13 54.24 3ng1 s LEU 130 Cb -0.13 -0.35 -0.05 0.00 0.50 0.00 0.00 46.19 46.16 3ng1 s LEU 130 CO 0.54 -0.20 0.60 -0.76 -1.32 0.00 0.00 176.35 175.21 3ng1 s LEU 131 N 1.97 4.43 -0.16 -0.68 1.43 -0.13 -0.46 118.68 125.08 3ng1 s LEU 131 Ca 0.04 1.18 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 3ng1 s LEU 131 Cb -0.12 -2.93 0.02 0.00 0.03 0.00 0.00 46.19 43.19 3ng1 s LEU 131 CO -0.04 0.12 -0.16 -0.69 0.23 0.00 0.00 176.35 175.80 3ng1 s VAL 132 N -0.28 1.72 -0.72 -1.59 1.01 0.18 -0.50 120.40 120.22 3ng1 s VAL 132 Ca 0.31 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 3ng1 s VAL 132 Cb -0.18 -1.59 0.10 0.00 0.00 0.00 0.00 36.38 34.70 3ng1 s VAL 132 CO 0.18 0.48 0.96 0.00 0.00 0.00 0.00 175.10 176.71 3ng1 s ALA 133 N 1.41 3.25 -2.05 5.51 0.00 -0.57 -0.75 121.76 128.56 3ng1 s ALA 133 Ca 0.04 -2.19 0.15 0.00 0.00 0.00 0.00 51.96 49.96 3ng1 s ALA 133 Cb -0.13 -3.84 0.77 0.00 0.00 0.00 0.00 23.12 19.92 3ng1 s ALA 133 CO -0.11 -2.75 1.51 0.00 0.00 0.00 0.00 175.76 174.42 3ng1 n ALA 134 N 7.08 2.56 -2.56 0.00 0.00 -0.52 -2.53 120.51 124.55 3ng1 n ALA 134 Ca 0.03 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 3ng1 n ALA 134 Cb 0.46 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 3ng1 n ALA 134 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ng1 s ASP 135 N -1.42 6.64 0.00 0.00 -1.08 -1.26 -4.56 116.67 114.98 3ng1 s ASP 135 Ca 0.23 0.63 0.27 0.00 -0.52 0.00 0.00 52.55 53.15 3ng1 s ASP 135 Cb 0.11 -2.55 0.78 0.00 -1.46 0.00 0.00 42.92 39.80 3ng1 s ASP 135 CO 0.18 -1.22 1.58 0.35 0.52 0.00 0.00 175.17 176.58 3ng1 n THR 136 N 6.72 0.00 -0.11 1.71 -2.24 -1.26 -4.29 114.28 114.81 3ng1 n THR 136 Ca 0.13 -0.16 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 3ng1 n THR 136 Cb 0.48 0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 69.09 3ng1 n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ng1 n GLN 137 N -0.42 0.52 -3.58 -0.78 6.02 -1.26 -1.28 117.38 116.59 3ng1 n GLN 137 Ca 0.14 0.13 -0.41 0.00 -0.01 0.00 0.00 57.00 56.85 3ng1 n GLN 137 Cb 0.36 -1.40 -0.11 0.00 1.02 0.00 0.00 30.24 30.11 3ng1 n GLN 137 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3ng1 s ARG 138 N -2.42 2.78 0.55 -1.09 0.52 -1.26 -4.93 118.95 113.10 3ng1 s ARG 138 Ca -0.29 -1.19 0.34 0.00 -0.52 0.00 0.00 55.73 54.07 3ng1 s ARG 138 Cb 0.08 -3.77 1.49 0.00 0.52 0.00 0.00 34.95 33.27 3ng1 s ARG 138 CO 0.47 -0.79 2.03 -1.35 0.02 0.00 0.00 175.30 175.69 3ng1 h PRO 139 N 8.45 0.00 -0.03 3.54 0.11 -1.91 -2.85 132.00 139.32 3ng1 h PRO 139 Ca -0.25 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 3ng1 h PRO 139 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ng1 h PRO 139 CO 0.70 0.04 -0.00 0.00 -0.21 0.00 0.00 178.00 178.53 3ng1 h ALA 140 N 1.96 0.03 -0.20 -0.75 0.00 -1.96 -1.99 119.26 116.36 3ng1 h ALA 140 Ca -0.00 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3ng1 h ALA 140 Cb 0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3ng1 h ALA 140 CO 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 179.25 178.84 3ng1 h ALA 141 N 0.69 0.05 -0.78 0.00 0.00 -1.90 -1.30 119.26 116.03 3ng1 h ALA 141 Ca 0.01 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.08 3ng1 h ALA 141 Cb 0.33 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3ng1 h ALA 141 CO 0.00 -0.54 0.51 0.00 0.00 0.00 0.00 179.25 179.22 3ng1 h ARG 142 N -0.10 0.74 -0.23 0.00 3.08 -1.48 -2.00 114.38 114.39 3ng1 h ARG 142 Ca 0.11 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 3ng1 h ARG 142 Cb 0.27 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3ng1 h ARG 142 CO -0.26 0.49 -0.43 1.49 -1.07 0.00 0.00 179.97 180.19 3ng1 h GLU 143 N 0.76 0.56 -0.33 0.04 4.57 -0.48 -2.01 114.58 117.70 3ng1 h GLU 143 Ca 0.35 -0.30 0.05 0.00 -1.18 0.00 0.00 59.36 58.28 3ng1 h GLU 143 Cb 0.36 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 3ng1 h GLU 143 CO -0.13 0.89 0.07 0.37 -1.18 0.00 0.00 179.01 179.03 3ng1 h GLN 144 N 0.46 0.18 -0.44 1.92 4.15 -0.55 -0.17 115.11 120.66 3ng1 h GLN 144 Ca 0.03 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 3ng1 h GLN 144 Cb 0.94 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 3ng1 h GLN 144 CO 0.08 0.12 -0.14 1.25 -1.93 0.00 0.00 178.83 178.21 3ng1 h LEU 145 N 0.18 0.89 -0.63 -2.39 5.85 -1.46 -1.50 115.31 116.25 3ng1 h LEU 145 Ca 0.15 -0.37 0.11 0.00 0.84 0.00 0.00 57.88 58.61 3ng1 h LEU 145 Cb 0.17 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.87 3ng1 h LEU 145 CO -0.20 1.06 0.20 -0.09 -0.34 0.00 0.00 178.44 179.07 3ng1 h ARG 146 N 0.71 0.34 -0.37 1.25 2.43 -0.82 0.65 114.38 118.57 3ng1 h ARG 146 Ca 0.11 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 3ng1 h ARG 146 Cb 0.69 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 3ng1 h ARG 146 CO 0.05 0.23 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.46 3ng1 h LEU 147 N 0.35 0.71 -0.63 3.80 3.38 -0.81 -2.92 115.31 119.20 3ng1 h LEU 147 Ca 0.33 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3ng1 h LEU 147 Cb 0.46 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3ng1 h LEU 147 CO -0.36 0.91 -0.26 -0.07 0.09 0.00 0.00 178.44 178.75 3ng1 h LEU 148 N 0.63 0.82 -0.29 1.67 3.38 0.10 -2.71 115.31 118.91 3ng1 h LEU 148 Ca 0.09 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.77 3ng1 h LEU 148 Cb 0.68 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3ng1 h LEU 148 CO 0.05 1.04 0.14 1.23 0.09 0.00 0.00 178.44 180.99 3ng1 h GLY 149 N 0.94 0.39 1.60 0.83 0.00 0.38 -1.44 103.07 105.77 3ng1 h GLY 149 Ca 0.09 -0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 3ng1 h GLY 149 CO 0.07 0.08 -0.35 1.05 0.00 0.00 0.00 176.54 177.38 3ng1 h GLU 150 N 0.30 0.45 -0.61 4.80 4.11 -1.55 0.44 114.58 122.53 3ng1 h GLU 150 Ca 0.12 -0.20 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 3ng1 h GLU 150 Cb 0.04 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3ng1 h GLU 150 CO -0.09 0.75 0.36 -0.22 0.07 0.00 0.00 179.01 179.88 3ng1 h LYS 151 N 0.38 0.82 -0.12 1.06 3.64 -1.10 -2.41 116.57 118.85 3ng1 h LYS 151 Ca 0.04 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ng1 h LYS 151 Cb 0.80 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3ng1 h LYS 151 CO 0.06 0.58 0.00 1.33 -2.27 0.00 0.00 179.45 179.16 3ng1 n VAL 152 N -4.41 0.16 -3.04 2.00 0.24 -0.59 -5.00 118.33 107.69 3ng1 n VAL 152 Ca 0.06 -0.58 -0.13 0.00 -2.04 0.00 0.00 64.34 61.65 3ng1 n VAL 152 Cb 0.08 1.28 0.05 0.00 -1.47 0.00 0.00 33.84 33.78 3ng1 n VAL 152 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ng1 n GLY 153 N 1.19 -0.03 2.93 7.63 0.00 0.12 -4.82 105.19 112.21 3ng1 n GLY 153 Ca 0.13 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 3ng1 n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ng1 s VAL 154 N -3.22 0.62 0.51 1.61 1.01 0.73 -5.00 120.40 116.66 3ng1 s VAL 154 Ca 0.18 -0.20 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 3ng1 s VAL 154 Cb -0.08 -0.61 -0.07 0.00 0.00 0.00 0.00 36.38 35.62 3ng1 s VAL 154 CO 0.46 0.23 1.20 -0.81 0.00 0.00 0.00 175.10 176.18 3ng1 n PRO 155 N 3.79 1.53 -3.83 2.72 -0.04 -1.26 -4.25 135.00 133.66 3ng1 n PRO 155 Ca -0.23 0.56 -0.29 0.00 -0.04 0.00 0.00 63.50 63.50 3ng1 n PRO 155 Cb 0.52 -2.36 -0.16 0.00 -0.04 0.00 0.00 33.50 31.46 3ng1 n PRO 155 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ng1 s VAL 156 N -1.31 0.99 -0.14 0.52 1.01 -1.26 -0.96 120.40 119.25 3ng1 s VAL 156 Ca 0.68 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.64 3ng1 s VAL 156 Cb -0.46 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3ng1 s VAL 156 CO 0.52 -0.13 0.55 -0.22 0.00 0.00 0.00 175.10 175.82 3ng1 s LEU 157 N 1.65 4.23 -0.18 3.92 0.20 0.35 -4.94 118.68 123.90 3ng1 s LEU 157 Ca -0.03 0.84 -0.07 0.00 0.69 0.00 0.00 54.13 55.56 3ng1 s LEU 157 Cb -0.18 -2.79 -0.04 0.00 -0.43 0.00 0.00 46.19 42.75 3ng1 s LEU 157 CO -0.07 -0.11 0.06 -1.61 -0.29 0.00 0.00 176.35 174.33 3ng1 s GLU 158 N 1.13 3.95 0.60 1.98 2.02 -1.26 -1.51 118.70 125.61 3ng1 s GLU 158 Ca 0.28 -0.33 -0.16 0.00 0.02 0.00 0.00 54.97 54.78 3ng1 s GLU 158 Cb -0.16 -3.21 -0.03 0.00 0.10 0.00 0.00 34.13 30.83 3ng1 s GLU 158 CO 0.11 0.30 1.06 0.14 0.02 0.00 0.00 175.26 176.90 3ng1 s VAL 159 N 0.30 3.74 0.46 2.63 -7.23 -1.05 -4.98 120.40 114.26 3ng1 s VAL 159 Ca 0.04 0.82 -0.04 0.00 -1.81 0.00 0.00 61.98 60.99 3ng1 s VAL 159 Cb -0.12 -3.35 -0.03 0.00 0.56 0.00 0.00 36.38 33.44 3ng1 s VAL 159 CO 0.00 -0.49 0.74 -0.04 -0.31 0.00 0.00 175.10 175.00 3ng1 s MET 160 N -4.08 3.49 0.11 4.82 1.00 -1.26 -4.89 119.30 118.49 3ng1 s MET 160 Ca 0.64 0.06 -0.32 0.00 0.00 0.00 0.00 55.69 56.07 3ng1 s MET 160 Cb -0.17 -2.44 -0.11 0.00 0.00 0.00 0.00 34.83 32.12 3ng1 s MET 160 CO 0.38 -0.15 1.83 -0.25 0.00 0.00 0.00 175.02 176.83 3ng1 n ASP 161 N -2.17 3.95 -0.60 3.03 8.00 -1.26 -1.58 116.55 125.92 3ng1 n ASP 161 Ca -0.00 0.99 -0.08 0.00 0.71 0.00 0.00 54.79 56.41 3ng1 n ASP 161 Cb 0.55 -1.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.10 3ng1 n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ng1 n GLY 162 N 4.21 0.96 3.76 0.44 0.00 -0.40 -4.98 105.19 109.17 3ng1 n GLY 162 Ca 0.18 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 3ng1 n GLY 162 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ng1 s GLU 163 N -2.44 4.30 0.49 1.61 2.12 -0.62 -5.00 118.70 119.16 3ng1 s GLU 163 Ca 0.00 2.27 -0.19 0.00 0.36 0.00 0.00 54.97 57.41 3ng1 s GLU 163 Cb 0.00 -3.09 -0.09 0.00 0.26 0.00 0.00 34.13 31.21 3ng1 s GLU 163 CO 0.00 -0.33 1.00 -1.54 -0.54 0.00 0.00 175.26 173.85 3ng1 s SER 164 N 0.01 6.53 0.35 -1.70 1.04 -1.26 -4.88 113.70 113.79 3ng1 s SER 164 Ca 0.55 1.75 0.04 0.00 0.48 0.00 0.00 55.95 58.76 3ng1 s SER 164 Cb -0.41 -2.54 0.67 0.00 0.10 0.00 0.00 66.02 63.84 3ng1 s SER 164 CO 0.48 -0.65 1.98 1.55 0.98 0.00 0.00 173.24 177.58 3ng1 h PRO 165 N 1.37 0.81 -0.64 4.02 0.13 -1.95 0.13 132.00 135.87 3ng1 h PRO 165 Ca -0.48 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 64.62 3ng1 h PRO 165 Cb 1.20 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 32.11 3ng1 h PRO 165 CO 0.60 0.53 0.40 0.93 -0.23 0.00 0.00 178.00 180.24 3ng1 h GLU 166 N 0.83 0.77 -0.32 0.86 3.07 -1.95 0.69 114.58 118.54 3ng1 h GLU 166 Ca 0.28 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 58.92 3ng1 h GLU 166 Cb 0.08 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3ng1 h GLU 166 CO -0.08 0.51 -0.48 1.03 -1.40 0.00 0.00 179.01 178.59 3ng1 h SER 167 N 0.80 0.95 -0.19 1.42 0.87 -1.68 -2.30 113.55 113.42 3ng1 h SER 167 Ca 0.25 -0.48 -0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3ng1 h SER 167 Cb -0.01 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 3ng1 h SER 167 CO -0.09 1.27 0.11 0.40 -0.53 0.00 0.00 176.83 177.98 3ng1 h ILE 168 N 0.68 1.09 -0.66 2.23 2.04 0.10 -1.67 117.51 121.33 3ng1 h ILE 168 Ca 0.03 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.71 3ng1 h ILE 168 Cb 1.08 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 3ng1 h ILE 168 CO 0.11 0.09 0.36 -0.09 0.00 0.00 0.00 178.15 178.62 3ng1 h ARG 169 N 0.21 0.64 -0.16 2.37 2.43 0.42 -0.62 114.38 119.67 3ng1 h ARG 169 Ca 0.07 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3ng1 h ARG 169 Cb 0.05 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3ng1 h ARG 169 CO -0.01 0.42 0.08 0.00 -1.51 0.00 0.00 179.97 178.95 3ng1 h ARG 170 N 0.66 0.22 -0.33 0.20 3.08 -1.04 0.14 114.38 117.30 3ng1 h ARG 170 Ca 0.30 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.18 3ng1 h ARG 170 Cb 0.21 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3ng1 h ARG 170 CO -0.19 0.27 -0.36 0.00 -1.07 0.00 0.00 179.97 178.61 3ng1 h ARG 171 N 0.13 0.77 -0.04 0.04 3.08 -1.15 -1.59 114.38 115.62 3ng1 h ARG 171 Ca 0.05 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 3ng1 h ARG 171 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3ng1 h ARG 171 CO -0.01 1.00 -0.01 0.28 -1.07 0.00 0.00 179.97 180.16 3ng1 h VAL 172 N 0.64 1.30 -0.87 2.04 2.07 -1.02 -1.65 116.25 118.76 3ng1 h VAL 172 Ca 0.06 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3ng1 h VAL 172 Cb 0.90 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 3ng1 h VAL 172 CO 0.08 0.25 0.48 -0.08 0.02 0.00 0.00 177.57 178.32 3ng1 h GLU 173 N -0.27 1.21 0.01 1.57 4.22 -0.74 -1.76 114.58 118.83 3ng1 h GLU 173 Ca 0.01 -0.14 -0.00 0.00 0.08 0.00 0.00 59.36 59.31 3ng1 h GLU 173 Cb 0.40 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3ng1 h GLU 173 CO 0.00 0.88 -0.01 1.49 -2.18 0.00 0.00 179.01 179.20 3ng1 h GLU 174 N 1.22 -0.02 -0.50 1.92 4.81 -1.23 -1.64 114.58 119.14 3ng1 h GLU 174 Ca 0.31 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.57 3ng1 h GLU 174 Cb 0.03 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3ng1 h GLU 174 CO -0.05 0.19 0.29 -0.22 -0.73 0.00 0.00 179.01 178.49 3ng1 h LYS 175 N -0.22 0.55 -0.69 1.92 3.64 -1.12 -0.05 116.57 120.62 3ng1 h LYS 175 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ng1 h LYS 175 Cb 0.21 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3ng1 h LYS 175 CO 0.00 0.37 0.43 0.00 -2.27 0.00 0.00 179.45 177.98 3ng1 h ALA 176 N 1.24 0.87 0.15 5.00 0.00 -1.29 0.18 119.26 125.42 3ng1 h ALA 176 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ng1 h ALA 176 Cb 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3ng1 h ALA 176 CO -0.11 0.33 -0.07 -0.09 0.00 0.00 0.00 179.25 179.31 3ng1 h ARG 177 N 0.93 -0.19 0.00 0.00 2.43 -0.78 0.39 114.38 117.16 3ng1 h ARG 177 Ca 0.25 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.36 3ng1 h ARG 177 Cb -0.06 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3ng1 h ARG 177 CO -0.05 0.07 -0.36 -0.07 -1.51 0.00 0.00 179.97 178.06 3ng1 h LEU 178 N -0.46 0.00 -1.17 3.80 3.38 -0.95 -3.10 115.31 116.81 3ng1 h LEU 178 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ng1 h LEU 178 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ng1 h LEU 178 CO 0.03 0.36 -0.26 -0.62 0.09 0.00 0.00 178.44 178.04 3ng1 n GLU 179 N -3.71 1.58 -3.24 1.13 1.02 0.04 -5.01 120.64 112.45 3ng1 n GLU 179 Ca -0.01 -1.10 -0.15 0.00 -0.02 0.00 0.00 57.16 55.88 3ng1 n GLU 179 Cb 0.45 -1.35 0.07 0.00 -0.02 0.00 0.00 31.44 30.60 3ng1 n GLU 179 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ng1 n ALA 180 N 0.27 -2.21 -2.62 0.62 0.00 0.12 -5.00 120.51 111.67 3ng1 n ALA 180 Ca 0.09 0.06 -0.38 0.00 0.00 0.00 0.00 53.44 53.21 3ng1 n ALA 180 Cb 0.41 -4.31 -0.10 0.00 0.00 0.00 0.00 19.45 15.45 3ng1 n ALA 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ng1 s ARG 181 N -4.70 4.02 0.05 0.00 1.81 -0.03 -4.76 118.95 115.34 3ng1 s ARG 181 Ca 0.27 -0.17 0.23 0.00 -1.72 0.00 0.00 55.73 54.34 3ng1 s ARG 181 Cb -0.03 -3.61 -0.00 0.00 -0.45 0.00 0.00 34.95 30.85 3ng1 s ARG 181 CO 0.70 -0.12 0.97 -0.40 -0.68 0.00 0.00 175.30 175.77 3ng1 n ASP 182 N 4.84 0.59 -4.00 0.23 5.68 -0.49 -4.78 116.55 118.63 3ng1 n ASP 182 Ca -0.12 -0.20 -0.30 0.00 -0.50 0.00 0.00 54.79 53.66 3ng1 n ASP 182 Cb 0.52 0.89 -0.16 0.00 -1.14 0.00 0.00 41.12 41.23 3ng1 n ASP 182 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3ng1 s LEU 183 N -4.02 2.21 -0.28 -2.12 2.96 -1.22 -0.67 118.68 115.55 3ng1 s LEU 183 Ca 0.03 -0.84 -0.07 0.00 -0.22 0.00 0.00 54.13 53.02 3ng1 s LEU 183 Cb 0.14 -1.22 -0.01 0.00 0.50 0.00 0.00 46.19 45.60 3ng1 s LEU 183 CO 0.81 -0.14 0.08 -0.63 -1.32 0.00 0.00 176.35 175.16 3ng1 s ILE 184 N 1.41 4.18 -0.33 6.68 1.01 0.14 0.08 121.20 134.37 3ng1 s ILE 184 Ca -0.01 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 3ng1 s ILE 184 Cb -0.16 -3.06 0.03 0.00 0.01 0.00 0.00 42.46 39.28 3ng1 s ILE 184 CO -0.08 0.20 0.11 -0.76 0.00 0.00 0.00 174.94 174.40 3ng1 s LEU 185 N 1.56 4.18 -0.40 2.97 1.43 0.39 -0.34 118.68 128.48 3ng1 s LEU 185 Ca 0.05 -0.96 -0.15 0.00 -1.03 0.00 0.00 54.13 52.04 3ng1 s LEU 185 Cb -0.16 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.18 3ng1 s LEU 185 CO 0.03 -0.28 0.34 -0.69 0.23 0.00 0.00 176.35 175.98 3ng1 s VAL 186 N 1.46 5.20 -0.63 -1.59 1.01 0.34 -0.65 120.40 125.55 3ng1 s VAL 186 Ca 0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 3ng1 s VAL 186 Cb -0.19 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.31 3ng1 s VAL 186 CO 0.03 -0.28 1.09 -0.62 0.00 0.00 0.00 175.10 175.32 3ng1 s ASP 187 N 1.73 6.29 0.71 3.32 2.15 0.08 -0.75 116.67 130.19 3ng1 s ASP 187 Ca 0.08 -0.39 -0.11 0.00 0.43 0.00 0.00 52.55 52.55 3ng1 s ASP 187 Cb -0.18 -2.49 0.02 0.00 -0.30 0.00 0.00 42.92 39.96 3ng1 s ASP 187 CO 0.11 -1.49 1.08 0.42 -0.17 0.00 0.00 175.17 175.13 3ng1 s THR 188 N 4.67 3.64 0.47 1.71 -4.23 -0.99 -1.43 115.64 119.47 3ng1 s THR 188 Ca 0.33 0.53 -0.24 0.00 -1.18 0.00 0.00 61.69 61.13 3ng1 s THR 188 Cb -0.11 -3.46 -0.07 0.00 1.34 0.00 0.00 72.50 70.20 3ng1 s THR 188 CO 0.18 -0.69 1.36 0.00 -0.54 0.00 0.00 174.62 174.93 3ng1 s ALA 189 N -3.27 3.10 0.01 3.99 0.00 -1.26 -4.81 121.76 119.52 3ng1 s ALA 189 Ca 0.58 1.34 0.02 0.00 0.00 0.00 0.00 51.96 53.90 3ng1 s ALA 189 Cb -0.12 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 3ng1 s ALA 189 CO 0.53 -1.14 -0.05 0.20 0.00 0.00 0.00 175.76 175.30 3ng1 s GLY 190 N -0.74 0.29 0.13 0.00 0.00 -1.26 -4.78 107.32 100.96 3ng1 s GLY 190 Ca 0.63 -0.32 0.05 0.00 0.00 0.00 0.00 44.72 45.08 3ng1 s GLY 190 CO 0.51 -0.31 -0.11 0.50 0.00 0.00 0.00 173.10 173.69 3ng1 s ARG 191 N -0.41 1.00 0.60 2.90 1.81 -1.26 -4.30 118.95 119.28 3ng1 s ARG 191 Ca -0.01 -1.30 0.32 0.00 -1.72 0.00 0.00 55.73 53.02 3ng1 s ARG 191 Cb -0.04 -0.70 1.73 0.00 -0.45 0.00 0.00 34.95 35.50 3ng1 s ARG 191 CO -0.00 0.11 1.97 -0.07 -0.68 0.00 0.00 175.30 176.63 3ng1 h LEU 192 N 3.23 0.00 -8.04 2.53 3.38 -1.94 -2.80 115.31 111.67 3ng1 h LEU 192 Ca -0.38 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.46 3ng1 h LEU 192 Cb 1.19 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.77 3ng1 h LEU 192 CO 0.56 0.00 -0.63 -1.10 0.09 0.00 0.00 178.44 177.36 3ng1 s GLN 193 N -3.98 0.52 -0.33 1.13 1.11 -1.26 -4.87 119.66 111.98 3ng1 s GLN 193 Ca -0.04 -0.88 -0.29 0.00 0.01 0.00 0.00 55.36 54.16 3ng1 s GLN 193 Cb 0.09 0.19 -0.01 0.00 -1.01 0.00 0.00 33.01 32.28 3ng1 s GLN 193 CO 0.29 -0.11 1.49 0.42 0.01 0.00 0.00 175.29 177.39 3ng1 s ILE 194 N -2.76 3.85 -0.18 1.08 1.01 -1.26 -4.99 121.20 117.94 3ng1 s ILE 194 Ca -0.04 0.91 -0.03 0.00 0.00 0.00 0.00 60.65 61.49 3ng1 s ILE 194 Cb -0.00 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 3ng1 s ILE 194 CO -0.06 -0.53 -0.05 1.51 0.00 0.00 0.00 174.94 175.81 3ng1 s ASP 195 N 4.04 4.42 0.29 3.58 -4.77 -1.26 -5.02 116.67 117.95 3ng1 s ASP 195 Ca 0.65 -0.29 0.02 0.00 -3.30 0.00 0.00 52.55 49.63 3ng1 s ASP 195 Cb -0.18 -1.73 0.73 0.00 -1.09 0.00 0.00 42.92 40.64 3ng1 s ASP 195 CO 0.30 0.07 1.63 -0.08 0.70 0.00 0.00 175.17 177.78 3ng1 h GLU 196 N 7.43 0.15 0.09 2.11 4.81 -1.99 -2.55 114.58 124.62 3ng1 h GLU 196 Ca -0.35 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 3ng1 h GLU 196 Cb 1.18 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3ng1 h GLU 196 CO 0.60 0.10 -0.27 -1.35 -0.73 0.00 0.00 179.01 177.35 3ng1 h PRO 197 N 0.15 -0.39 -0.75 0.92 0.11 -2.00 -1.37 132.00 128.67 3ng1 h PRO 197 Ca 0.56 0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.82 3ng1 h PRO 197 Cb 1.16 0.09 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 3ng1 h PRO 197 CO -0.71 -0.26 0.34 -0.07 -0.21 0.00 0.00 178.00 177.09 3ng1 h LEU 198 N -0.40 0.38 -1.31 2.35 3.38 -1.94 0.89 115.31 118.66 3ng1 h LEU 198 Ca -0.01 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.17 3ng1 h LEU 198 Cb 0.40 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 3ng1 h LEU 198 CO -0.13 0.18 0.55 -0.03 0.09 0.00 0.00 178.44 179.10 3ng1 h MET 199 N 0.53 0.70 -0.43 1.13 4.05 -1.19 0.69 114.93 120.40 3ng1 h MET 199 Ca 0.39 -0.04 -0.13 0.00 -0.28 0.00 0.00 59.70 59.65 3ng1 h MET 199 Cb 0.53 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 3ng1 h MET 199 CO -0.34 0.46 -0.23 0.78 0.23 0.00 0.00 176.91 177.81 3ng1 h GLY 200 N 0.72 0.99 1.61 1.39 0.00 0.31 -0.46 103.07 107.62 3ng1 h GLY 200 Ca 0.41 -0.90 -0.14 0.00 0.00 0.00 0.00 47.33 46.70 3ng1 h GLY 200 CO -0.17 0.82 -0.50 0.83 0.00 0.00 0.00 176.54 177.51 3ng1 h GLU 201 N 0.74 0.42 -0.48 4.80 5.08 -0.53 -2.53 114.58 122.08 3ng1 h GLU 201 Ca 0.09 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3ng1 h GLU 201 Cb 0.80 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3ng1 h GLU 201 CO 0.07 0.83 0.27 1.25 -1.00 0.00 0.00 179.01 180.43 3ng1 h LEU 202 N 0.33 0.60 -1.50 1.33 5.85 0.62 0.15 115.31 122.69 3ng1 h LEU 202 Ca 0.01 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3ng1 h LEU 202 Cb 1.00 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 3ng1 h LEU 202 CO 0.09 0.51 0.28 0.00 -0.34 0.00 0.00 178.44 178.97 3ng1 h ALA 203 N 1.12 1.62 -0.15 1.25 0.00 -0.87 -0.86 119.26 121.38 3ng1 h ALA 203 Ca 0.17 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 3ng1 h ALA 203 Cb 0.04 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ng1 h ALA 203 CO -0.03 0.33 -0.77 -0.09 0.00 0.00 0.00 179.25 178.69 3ng1 h ARG 204 N 0.63 0.78 -0.67 0.00 9.65 -0.92 -0.83 114.38 123.02 3ng1 h ARG 204 Ca 0.17 -0.64 0.02 0.00 -1.10 0.00 0.00 59.98 58.42 3ng1 h ARG 204 Cb -0.03 0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.65 3ng1 h ARG 204 CO -0.03 1.25 0.43 1.25 2.80 0.00 0.00 179.97 185.67 3ng1 h LEU 205 N 0.52 0.74 -0.13 3.80 5.85 -0.04 0.44 115.31 126.48 3ng1 h LEU 205 Ca -0.05 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3ng1 h LEU 205 Cb 1.40 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3ng1 h LEU 205 CO 0.16 0.53 0.06 0.50 -0.34 0.00 0.00 178.44 179.35 3ng1 h LYS 206 N 0.87 0.18 -0.35 1.25 3.64 -1.11 0.36 116.57 121.42 3ng1 h LYS 206 Ca 0.26 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.68 3ng1 h LYS 206 Cb -0.05 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.67 3ng1 h LYS 206 CO -0.07 0.23 -0.04 1.49 -2.27 0.00 0.00 179.45 178.78 3ng1 h GLU 207 N 0.09 0.05 -0.23 1.90 4.57 -0.28 1.12 114.58 121.80 3ng1 h GLU 207 Ca 0.04 -0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.08 3ng1 h GLU 207 Cb 0.10 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3ng1 h GLU 207 CO -0.01 0.03 -0.42 0.28 -1.18 0.00 0.00 179.01 177.71 3ng1 h VAL 208 N 0.05 1.31 0.00 0.32 2.07 0.08 -3.32 116.25 116.76 3ng1 h VAL 208 Ca 0.17 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.04 3ng1 h VAL 208 Cb 0.25 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3ng1 h VAL 208 CO -0.32 0.52 -0.78 -0.07 0.02 0.00 0.00 177.57 176.94 3ng1 h LEU 209 N 0.42 0.00 -2.38 2.57 3.38 -0.04 -3.49 115.31 115.77 3ng1 h LEU 209 Ca 0.01 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.60 3ng1 h LEU 209 Cb 1.02 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.88 3ng1 h LEU 209 CO 0.10 0.07 -0.87 0.61 0.09 0.00 0.00 178.44 178.43 3ng1 n GLY 210 N 1.18 -0.72 3.71 0.83 0.00 0.38 -4.91 105.19 105.66 3ng1 n GLY 210 Ca 0.00 0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 3ng1 n GLY 210 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ng1 n PRO 211 N -3.99 1.91 0.08 1.61 -0.04 -1.26 -4.92 135.00 128.39 3ng1 n PRO 211 Ca -0.18 0.68 -0.10 0.00 -0.04 0.00 0.00 63.50 63.86 3ng1 n PRO 211 Cb 0.64 -2.41 -0.09 0.00 -0.04 0.00 0.00 33.50 31.60 3ng1 n PRO 211 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3ng1 h ASP 212 N 2.01 0.21 -4.80 3.54 3.32 -0.17 -3.46 116.42 117.07 3ng1 h ASP 212 Ca -0.48 -0.21 -0.23 0.00 0.02 0.00 0.00 57.03 56.13 3ng1 h ASP 212 Cb 1.29 -0.07 -0.19 0.00 0.22 0.00 0.00 39.33 40.59 3ng1 h ASP 212 CO 0.59 1.11 -0.71 -1.61 -1.72 0.00 0.00 179.24 176.90 3ng1 s GLU 213 N -2.87 0.59 -0.26 3.56 0.41 -1.21 -5.04 118.70 113.89 3ng1 s GLU 213 Ca -0.02 -0.95 -0.02 0.00 -0.41 0.00 0.00 54.97 53.57 3ng1 s GLU 213 Cb 0.09 -0.16 0.08 0.00 -1.78 0.00 0.00 34.13 32.37 3ng1 s GLU 213 CO 0.84 -0.00 0.08 0.08 -0.49 0.00 0.00 175.26 175.77 3ng1 s VAL 214 N -2.29 0.57 -0.31 2.63 1.01 -1.26 -1.22 120.40 119.52 3ng1 s VAL 214 Ca -0.03 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 3ng1 s VAL 214 Cb -0.04 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 3ng1 s VAL 214 CO -0.02 -0.48 0.33 -0.76 0.00 0.00 0.00 175.10 174.16 3ng1 s LEU 215 N 1.80 4.25 -0.34 3.92 1.43 0.17 -0.75 118.68 129.16 3ng1 s LEU 215 Ca 0.05 -0.04 -0.21 0.00 -1.03 0.00 0.00 54.13 52.90 3ng1 s LEU 215 Cb -0.17 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.73 3ng1 s LEU 215 CO -0.20 -0.24 0.65 -0.22 0.23 0.00 0.00 176.35 176.57 3ng1 s LEU 216 N 1.98 4.21 -0.17 1.79 2.96 -0.81 -0.12 118.68 128.52 3ng1 s LEU 216 Ca 0.12 0.24 -0.21 0.00 -0.22 0.00 0.00 54.13 54.06 3ng1 s LEU 216 Cb -0.16 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.68 3ng1 s LEU 216 CO 0.11 -0.57 0.63 -0.69 -1.32 0.00 0.00 176.35 174.50 3ng1 s VAL 217 N 2.72 5.04 0.08 1.68 1.01 0.46 -1.48 120.40 129.91 3ng1 s VAL 217 Ca 0.25 1.20 0.09 0.00 0.00 0.00 0.00 61.98 63.52 3ng1 s VAL 217 Cb -0.14 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3ng1 s VAL 217 CO 0.14 0.15 -0.23 -0.76 0.00 0.00 0.00 175.10 174.40 3ng1 s LEU 218 N 1.66 2.25 -0.80 3.92 1.02 0.10 -4.53 118.68 122.30 3ng1 s LEU 218 Ca 0.30 -0.64 -0.19 0.00 0.02 0.00 0.00 54.13 53.62 3ng1 s LEU 218 Cb -0.16 -1.03 0.13 0.00 0.02 0.00 0.00 46.19 45.15 3ng1 s LEU 218 CO 0.11 0.14 0.96 -0.62 0.02 0.00 0.00 176.35 176.96 3ng1 s ASP 219 N -1.65 6.48 0.58 2.29 -1.08 -1.25 0.31 116.67 122.35 3ng1 s ASP 219 Ca 0.09 -1.84 0.33 0.00 -0.52 0.00 0.00 52.55 50.61 3ng1 s ASP 219 Cb -0.10 -2.36 1.37 0.00 -1.46 0.00 0.00 42.92 40.38 3ng1 s ASP 219 CO 0.04 -1.07 1.67 0.00 0.52 0.00 0.00 175.17 176.33 3ng1 h ALA 220 N 8.88 2.84 -0.01 3.66 0.00 -1.31 0.19 119.26 133.51 3ng1 h ALA 220 Ca -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3ng1 h ALA 220 Cb 1.05 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3ng1 h ALA 220 CO 1.07 -1.40 -0.19 0.52 0.00 0.00 0.00 179.25 179.25 3ng1 h MET 221 N 0.00 0.02 0.00 0.00 2.86 -1.75 -2.30 114.93 113.76 3ng1 h MET 221 Ca 0.47 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 3ng1 h MET 221 Cb 2.25 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.90 3ng1 h MET 221 CO -0.00 0.21 0.00 0.25 1.06 0.00 0.00 176.91 178.42 3ng1 n THR 222 N -4.30 0.00 -4.97 2.22 -2.24 0.66 -4.96 114.28 100.69 3ng1 n THR 222 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3ng1 n THR 222 Cb 0.26 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3ng1 n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ng1 n GLY 223 N 0.14 0.97 0.36 3.38 0.00 -0.87 -3.33 105.19 105.84 3ng1 n GLY 223 Ca 0.01 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.46 3ng1 n GLY 223 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3ng1 h GLN 224 N 0.00 0.70 -0.84 1.61 4.15 -1.84 -1.68 115.11 117.22 3ng1 h GLN 224 Ca 0.00 -0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.51 3ng1 h GLN 224 Cb 0.00 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 27.47 3ng1 h GLN 224 CO 0.00 0.46 0.55 1.49 -1.93 0.00 0.00 178.83 179.40 3ng1 h GLU 225 N 0.72 0.63 -1.22 1.69 4.57 -1.93 -1.69 114.58 117.35 3ng1 h GLU 225 Ca 0.38 -0.04 0.35 0.00 -1.18 0.00 0.00 59.36 58.88 3ng1 h GLU 225 Cb 0.50 -0.14 -0.09 0.00 -0.16 0.00 0.00 28.75 28.86 3ng1 h GLU 225 CO -0.15 0.42 0.82 0.00 -1.18 0.00 0.00 179.01 178.91 3ng1 h ALA 226 N 1.61 2.73 0.00 2.92 0.00 -1.30 0.36 119.26 125.58 3ng1 h ALA 226 Ca 0.41 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3ng1 h ALA 226 Cb 0.67 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3ng1 h ALA 226 CO -0.17 -1.18 0.00 -0.07 0.00 0.00 0.00 179.25 177.83 3ng1 h LEU 227 N 0.17 0.00 -0.47 0.00 3.38 -1.48 -3.34 115.31 113.57 3ng1 h LEU 227 Ca 0.66 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.73 3ng1 h LEU 227 Cb 2.15 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.80 3ng1 h LEU 227 CO -0.22 0.00 -0.30 0.77 0.09 0.00 0.00 178.44 178.78 3ng1 h SER 228 N 0.00 -1.01 -0.08 -0.43 4.64 -0.42 -1.97 113.55 114.28 3ng1 h SER 228 Ca 0.00 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3ng1 h SER 228 Cb 0.55 0.50 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3ng1 h SER 228 CO 0.00 -0.30 0.05 -0.37 -0.87 0.00 0.00 176.83 175.35 3ng1 h VAL 229 N -0.19 1.02 -0.96 0.95 -1.51 -1.77 -3.29 116.25 110.50 3ng1 h VAL 229 Ca 0.20 -0.04 0.13 0.00 -1.23 0.00 0.00 66.70 65.76 3ng1 h VAL 229 Cb 0.52 0.90 -0.14 0.00 -2.13 0.00 0.00 31.29 30.44 3ng1 h VAL 229 CO -0.58 0.02 -0.44 0.00 -1.23 0.00 0.00 177.57 175.34 3ng1 n ALA 230 N -2.53 -0.29 -0.31 5.19 0.00 -0.74 -1.02 120.51 120.81 3ng1 n ALA 230 Ca -0.02 0.91 0.05 0.00 0.00 0.00 0.00 53.44 54.38 3ng1 n ALA 230 Cb 0.08 -0.33 0.24 0.00 0.00 0.00 0.00 19.45 19.45 3ng1 n ALA 230 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3ng1 h ARG 231 N 0.00 0.99 0.53 0.00 2.43 -1.74 -1.40 114.38 115.19 3ng1 h ARG 231 Ca 0.27 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 3ng1 h ARG 231 Cb 0.51 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3ng1 h ARG 231 CO -0.94 0.66 -0.27 0.00 -1.51 0.00 0.00 179.97 177.91 3ng1 h ALA 232 N 1.51 -0.73 -0.72 2.80 0.00 -1.29 -0.22 119.26 120.61 3ng1 h ALA 232 Ca 0.41 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.19 3ng1 h ALA 232 Cb 0.26 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3ng1 h ALA 232 CO -0.17 -0.92 0.46 0.74 0.00 0.00 0.00 179.25 179.36 3ng1 h PHE 233 N -0.73 0.85 -0.26 0.00 -1.00 -1.20 -1.37 116.94 113.22 3ng1 h PHE 233 Ca -0.07 0.02 -0.14 0.00 2.81 0.00 0.00 57.97 60.59 3ng1 h PHE 233 Cb 0.57 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 3ng1 h PHE 233 CO -0.05 0.49 -0.43 0.22 -1.61 0.00 0.00 178.31 176.94 3ng1 h ASP 234 N 0.89 0.69 0.28 2.17 3.58 -1.18 0.58 116.42 123.44 3ng1 h ASP 234 Ca 0.29 -0.32 -0.16 0.00 0.42 0.00 0.00 57.03 57.25 3ng1 h ASP 234 Cb 0.01 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 3ng1 h ASP 234 CO -0.11 1.03 -0.65 -0.33 -2.88 0.00 0.00 179.24 176.30 3ng1 h GLU 235 N 0.53 0.34 0.01 0.28 5.08 -0.79 -2.54 114.58 117.50 3ng1 h GLU 235 Ca 0.04 -0.25 -0.34 0.00 -1.00 0.00 0.00 59.36 57.81 3ng1 h GLU 235 Cb 0.95 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.19 3ng1 h GLU 235 CO 0.09 0.88 -2.06 1.17 -1.00 0.00 0.00 179.01 178.08 3ng1 n LYS 236 N -3.86 0.67 -0.02 2.33 3.00 -0.54 -4.81 118.16 114.93 3ng1 n LYS 236 Ca -0.03 0.16 -0.06 0.00 -0.00 0.00 0.00 58.31 58.38 3ng1 n LYS 236 Cb 0.65 -1.66 -0.02 0.00 0.00 0.00 0.00 35.03 34.01 3ng1 n LYS 236 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3ng1 n VAL 237 N -2.98 0.73 0.00 3.15 0.31 0.19 -4.66 118.33 115.07 3ng1 n VAL 237 Ca -0.27 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3ng1 n VAL 237 Cb 1.09 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 3ng1 n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ng1 n GLY 238 N 2.68 0.96 3.79 2.92 0.00 -0.58 -4.97 105.19 110.00 3ng1 n GLY 238 Ca -0.11 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 3ng1 n GLY 238 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ng1 s VAL 239 N 0.00 4.56 -0.04 1.61 1.01 -1.26 -4.61 120.40 121.67 3ng1 s VAL 239 Ca 0.00 1.44 0.15 0.00 0.00 0.00 0.00 61.98 63.57 3ng1 s VAL 239 Cb 0.00 -4.01 -0.22 0.00 0.00 0.00 0.00 36.38 32.15 3ng1 s VAL 239 CO 0.00 0.53 0.29 0.35 0.00 0.00 0.00 175.10 176.27 3ng1 n THR 240 N 1.64 0.13 -3.78 3.92 -2.24 0.08 -4.94 114.28 109.09 3ng1 n THR 240 Ca -0.08 -0.37 -0.04 0.00 -2.27 0.00 0.00 64.05 61.29 3ng1 n THR 240 Cb 0.50 0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 3ng1 n THR 240 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3ng1 s GLY 241 N -3.85 -0.18 0.28 3.38 0.00 -1.14 -4.49 107.32 101.33 3ng1 s GLY 241 Ca -0.06 0.03 0.11 0.00 0.00 0.00 0.00 44.72 44.80 3ng1 s GLY 241 CO 0.61 0.11 -0.14 1.08 0.00 0.00 0.00 173.10 174.75 3ng1 s LEU 242 N -2.97 2.75 -0.15 0.66 1.43 0.26 -1.93 118.68 118.73 3ng1 s LEU 242 Ca 0.13 -0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 52.24 3ng1 s LEU 242 Cb -0.02 -1.24 0.06 0.00 0.03 0.00 0.00 46.19 45.01 3ng1 s LEU 242 CO 0.03 0.01 0.11 -0.69 0.23 0.00 0.00 176.35 176.04 3ng1 s VAL 243 N -2.47 -0.13 -0.27 -1.59 1.01 -0.55 -0.71 120.40 115.68 3ng1 s VAL 243 Ca 0.31 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 3ng1 s VAL 243 Cb -0.05 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3ng1 s VAL 243 CO 0.16 -0.19 0.32 -0.76 0.00 0.00 0.00 175.10 174.64 3ng1 s LEU 244 N 2.17 4.03 0.16 3.92 1.43 -1.14 0.01 118.68 129.26 3ng1 s LEU 244 Ca 0.03 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 3ng1 s LEU 244 Cb -0.15 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 3ng1 s LEU 244 CO -0.08 -0.15 0.27 0.42 0.23 0.00 0.00 176.35 177.04 3ng1 s THR 245 N 1.97 5.24 -1.09 5.49 -4.23 0.15 -0.04 115.64 123.13 3ng1 s THR 245 Ca 0.13 -0.75 -0.06 0.00 -1.18 0.00 0.00 61.69 59.84 3ng1 s THR 245 Cb -0.16 -3.70 0.01 0.00 1.34 0.00 0.00 72.50 69.98 3ng1 s THR 245 CO 0.10 -0.11 0.94 0.29 -0.54 0.00 0.00 174.62 175.31 3ng1 n LYS 246 N -0.58 -6.33 0.13 3.99 5.02 -1.20 -0.92 118.16 118.27 3ng1 n LYS 246 Ca -0.07 0.69 -0.01 0.00 -2.02 0.00 0.00 58.31 56.89 3ng1 n LYS 246 Cb 0.54 -5.28 0.11 0.00 -0.02 0.00 0.00 35.03 30.38 3ng1 n LYS 246 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3ng1 h LEU 247 N -2.09 0.00 -1.06 -0.35 3.38 -1.58 -2.71 115.31 110.90 3ng1 h LEU 247 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3ng1 h LEU 247 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3ng1 h LEU 247 CO 0.45 0.66 0.00 -2.24 0.09 0.00 0.00 178.44 177.40 3ng1 h ASP 248 N 0.00 0.00 -0.02 -0.43 2.03 -1.77 -2.50 116.42 113.72 3ng1 h ASP 248 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 3ng1 h ASP 248 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 3ng1 h ASP 248 CO 0.09 0.00 -0.11 0.61 -1.03 0.00 0.00 179.24 178.80 3ng1 n GLY 249 N 0.09 0.53 3.65 7.15 0.00 -1.04 -4.70 105.19 110.87 3ng1 n GLY 249 Ca 0.01 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 3ng1 n GLY 249 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ng1 s ASP 250 N -1.89 6.52 -0.03 1.61 2.15 -0.94 -4.94 116.67 119.15 3ng1 s ASP 250 Ca 0.23 0.62 0.20 0.00 0.43 0.00 0.00 52.55 54.02 3ng1 s ASP 250 Cb 0.17 -2.28 -0.23 0.00 -0.30 0.00 0.00 42.92 40.28 3ng1 s ASP 250 CO 0.33 -0.20 0.52 0.00 -0.17 0.00 0.00 175.17 175.65 3ng1 n ALA 251 N 4.95 2.21 -1.01 3.66 0.00 -1.26 -0.58 120.51 128.48 3ng1 n ALA 251 Ca -0.05 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3ng1 n ALA 251 Cb 0.50 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3ng1 n ALA 251 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ng1 n ARG 252 N -2.59 0.00 0.00 0.00 1.74 -1.26 -2.98 116.66 111.56 3ng1 n ARG 252 Ca -0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 3ng1 n ARG 252 Cb 0.79 -0.39 0.00 0.00 -1.02 0.00 0.00 32.46 31.84 3ng1 n ARG 252 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ng1 n GLY 253 N 2.54 1.18 0.33 -0.13 0.00 -1.26 -4.54 105.19 103.32 3ng1 n GLY 253 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3ng1 n GLY 253 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ng1 h GLY 254 N 0.00 1.54 0.85 -0.02 0.00 -1.47 -1.74 103.07 102.23 3ng1 h GLY 254 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 3ng1 h GLY 254 CO 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 176.54 176.46 3ng1 h ALA 255 N 1.56 0.35 -0.48 3.60 0.00 -1.80 -0.49 119.26 121.99 3ng1 h ALA 255 Ca 0.49 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3ng1 h ALA 255 Cb 0.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3ng1 h ALA 255 CO -0.33 0.20 -0.01 0.00 0.00 0.00 0.00 179.25 179.10 3ng1 h ALA 256 N 0.73 1.07 0.00 0.00 0.00 -1.85 0.36 119.26 119.58 3ng1 h ALA 256 Ca 0.06 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 3ng1 h ALA 256 Cb 0.60 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3ng1 h ALA 256 CO 0.03 0.58 -0.76 -0.07 0.00 0.00 0.00 179.25 179.04 3ng1 h LEU 257 N 0.75 0.00 0.00 0.00 3.38 -1.30 -3.33 115.31 114.81 3ng1 h LEU 257 Ca 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3ng1 h LEU 257 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3ng1 h LEU 257 CO 0.02 0.76 -1.58 -1.20 0.09 0.00 0.00 178.44 176.53 3ng1 n SER 258 N -3.39 0.41 -0.34 -0.43 7.64 -0.20 -4.54 113.62 112.78 3ng1 n SER 258 Ca 0.00 0.16 -0.05 0.00 1.01 0.00 0.00 58.87 60.00 3ng1 n SER 258 Cb 0.80 1.15 -0.01 0.00 -1.01 0.00 0.00 64.21 65.15 3ng1 n SER 258 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ng1 h ALA 259 N 1.88 -0.10 -0.05 -0.43 0.00 -0.40 -0.14 119.26 120.02 3ng1 h ALA 259 Ca -0.05 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3ng1 h ALA 259 Cb 1.14 1.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.92 3ng1 h ALA 259 CO 0.01 -0.74 -0.43 -0.09 0.00 0.00 0.00 179.25 178.00 3ng1 h ARG 260 N -0.06 -0.53 -0.24 0.00 2.43 -1.80 0.19 114.38 114.37 3ng1 h ARG 260 Ca 0.26 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 3ng1 h ARG 260 Cb 0.55 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3ng1 h ARG 260 CO -0.89 -0.35 0.09 1.25 -1.51 0.00 0.00 179.97 178.56 3ng1 h HIS 261 N -0.55 0.36 -0.12 2.20 2.76 -1.66 0.29 115.15 118.44 3ng1 h HIS 261 Ca 0.05 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 3ng1 h HIS 261 Cb 0.65 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 3ng1 h HIS 261 CO -0.45 0.39 -0.06 0.28 -1.30 0.00 0.00 177.93 176.79 3ng1 h VAL 262 N 0.23 1.32 0.00 5.26 2.07 -0.89 -3.37 116.25 120.87 3ng1 h VAL 262 Ca 0.08 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 3ng1 h VAL 262 Cb 0.18 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3ng1 h VAL 262 CO -0.01 0.31 -1.91 0.35 0.02 0.00 0.00 177.57 176.34 3ng1 n THR 263 N -4.69 0.17 -1.03 2.57 -2.24 0.66 -4.96 114.28 104.75 3ng1 n THR 263 Ca -0.06 -0.48 -0.01 0.00 -2.27 0.00 0.00 64.05 61.23 3ng1 n THR 263 Cb 0.28 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.49 3ng1 n THR 263 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ng1 n GLY 264 N 1.50 0.26 3.73 3.38 0.00 0.10 -4.97 105.19 109.19 3ng1 n GLY 264 Ca -0.07 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 3ng1 n GLY 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ng1 s LYS 265 N -1.55 2.97 0.39 1.61 -0.14 -1.26 -5.04 119.74 116.72 3ng1 s LYS 265 Ca 0.00 -0.49 -0.25 0.00 -1.36 0.00 0.00 55.97 53.87 3ng1 s LYS 265 Cb 0.00 -2.80 -0.09 0.00 -1.68 0.00 0.00 37.83 33.27 3ng1 s LYS 265 CO 0.00 0.66 1.06 -1.25 -0.76 0.00 0.00 175.35 175.06 3ng1 s PRO 266 N -1.46 4.20 -0.51 -1.68 0.04 -1.26 -4.54 135.00 129.79 3ng1 s PRO 266 Ca 0.19 1.56 -0.21 0.00 0.04 0.00 0.00 61.00 62.57 3ng1 s PRO 266 Cb -0.12 -2.61 0.04 0.00 0.04 0.00 0.00 34.50 31.86 3ng1 s PRO 266 CO 0.10 -0.12 0.76 0.42 0.04 0.00 0.00 177.00 178.20 3ng1 s ILE 267 N -1.60 4.67 -0.09 0.56 1.01 -1.26 0.91 121.20 125.40 3ng1 s ILE 267 Ca 0.56 -0.06 -0.25 0.00 0.00 0.00 0.00 60.65 60.91 3ng1 s ILE 267 Cb -0.23 -4.38 -0.21 0.00 0.01 0.00 0.00 42.46 37.64 3ng1 s ILE 267 CO 0.29 -0.89 0.91 1.88 0.00 0.00 0.00 174.94 177.14 3ng1 h TYR 268 N 9.10 -0.03 -2.76 3.97 0.05 -1.14 -3.40 116.97 122.74 3ng1 h TYR 268 Ca -0.26 -0.00 -0.47 0.00 0.05 0.00 0.00 58.73 58.04 3ng1 h TYR 268 Cb 1.09 0.01 -0.14 0.00 1.01 0.00 0.00 36.73 38.70 3ng1 h TYR 268 CO 0.81 0.66 -0.66 -0.06 -1.05 0.00 0.00 178.16 177.87 3ng1 s PHE 269 N -3.04 1.90 -0.01 4.88 0.40 -1.22 -1.27 117.98 119.61 3ng1 s PHE 269 Ca -0.16 -0.78 0.01 0.00 -0.60 0.00 0.00 56.93 55.39 3ng1 s PHE 269 Cb -0.01 -1.13 0.01 0.00 0.51 0.00 0.00 43.02 42.40 3ng1 s PHE 269 CO 0.62 0.18 -0.01 0.00 0.70 0.00 0.00 175.22 176.71 3ng1 s ALA 270 N -3.12 0.20 -0.47 5.36 0.00 0.10 -2.91 121.76 120.92 3ng1 s ALA 270 Ca 0.31 0.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.03 3ng1 s ALA 270 Cb 0.05 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.07 3ng1 s ALA 270 CO 0.12 0.00 0.87 0.20 0.00 0.00 0.00 175.76 176.95 3ng1 s GLY 271 N 0.31 1.52 0.00 0.00 0.00 0.94 -1.10 107.32 108.99 3ng1 s GLY 271 Ca -0.03 -0.97 0.23 0.00 0.00 0.00 0.00 44.72 43.95 3ng1 s GLY 271 CO -0.01 1.93 1.11 3.33 0.00 0.00 0.00 173.10 179.47 3ng1 n VAL 272 N 6.26 0.00 -3.61 1.40 0.24 -0.18 -1.73 118.33 120.71 3ng1 n VAL 272 Ca 0.04 -0.21 -0.02 0.00 -2.04 0.00 0.00 64.34 62.11 3ng1 n VAL 272 Cb 0.48 1.13 -0.01 0.00 -1.47 0.00 0.00 33.84 33.97 3ng1 n VAL 272 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3ng1 s SER 273 N -2.55 -0.09 0.39 -1.34 1.04 -1.20 -4.43 113.70 105.53 3ng1 s SER 273 Ca 0.18 -0.04 0.28 0.00 0.48 0.00 0.00 55.95 56.85 3ng1 s SER 273 Cb 0.18 0.12 1.13 0.00 0.10 0.00 0.00 66.02 67.54 3ng1 s SER 273 CO 0.61 -0.20 1.83 -0.33 0.98 0.00 0.00 173.24 176.13 3ng1 h GLU 274 N 2.00 0.00 -7.12 4.02 4.39 -1.96 -3.37 114.58 112.54 3ng1 h GLU 274 Ca -0.15 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.03 3ng1 h GLU 274 Cb 1.17 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.93 3ng1 h GLU 274 CO 0.24 0.00 0.44 0.15 -1.16 0.00 0.00 179.01 178.68 3ng1 s LYS 275 N -3.46 2.91 0.65 2.33 1.02 -1.26 -4.86 119.74 117.07 3ng1 s LYS 275 Ca 0.03 1.70 0.33 0.00 0.02 0.00 0.00 55.97 58.05 3ng1 s LYS 275 Cb 0.09 -1.94 1.81 0.00 -0.52 0.00 0.00 37.83 37.27 3ng1 s LYS 275 CO 0.48 -1.22 2.06 -1.00 -0.92 0.00 0.00 175.35 174.74 3ng1 h PRO 276 N 0.64 0.00 -0.29 -1.68 0.13 -2.01 0.77 132.00 129.56 3ng1 h PRO 276 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3ng1 h PRO 276 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3ng1 h PRO 276 CO 0.55 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.71 3ng1 n GLU 277 N -3.17 2.24 -0.47 0.86 4.71 -1.26 -4.57 120.64 118.97 3ng1 n GLU 277 Ca -0.01 -1.87 -0.02 0.00 -0.01 0.00 0.00 57.16 55.25 3ng1 n GLU 277 Cb 0.32 -1.47 -0.03 0.00 -1.01 0.00 0.00 31.44 29.25 3ng1 n GLU 277 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3ng1 n GLY 278 N 1.38 2.15 2.80 0.62 0.00 0.27 -4.65 105.19 107.75 3ng1 n GLY 278 Ca 0.18 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 3ng1 n GLY 278 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ng1 s LEU 279 N 0.00 0.11 0.08 0.99 2.96 -1.26 -1.01 118.68 120.55 3ng1 s LEU 279 Ca 0.12 0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 54.24 3ng1 s LEU 279 Cb 0.06 0.15 -0.03 0.00 0.50 0.00 0.00 46.19 46.88 3ng1 s LEU 279 CO 0.00 -0.23 0.08 -1.83 -1.32 0.00 0.00 176.35 173.04 3ng1 s GLU 280 N 2.10 0.77 0.44 1.98 -1.05 -0.26 -4.94 118.70 117.73 3ng1 s GLU 280 Ca 0.02 -1.16 -0.25 0.00 -0.15 0.00 0.00 54.97 53.43 3ng1 s GLU 280 Cb -0.12 0.27 -0.09 0.00 -0.44 0.00 0.00 34.13 33.75 3ng1 s GLU 280 CO -0.05 -0.20 1.36 -2.30 0.95 0.00 0.00 175.26 175.02 3ng1 n PRO 281 N 0.00 2.10 -2.82 -4.83 -0.02 -1.26 0.03 135.00 128.20 3ng1 n PRO 281 Ca -0.13 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3ng1 n PRO 281 Cb 0.62 -2.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 3ng1 n PRO 281 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3ng1 s PHE 282 N -1.20 3.35 -0.38 6.00 5.36 -0.40 -4.68 117.98 126.04 3ng1 s PHE 282 Ca 0.61 1.27 -0.02 0.00 -0.96 0.00 0.00 56.93 57.83 3ng1 s PHE 282 Cb -0.47 -3.11 0.10 0.00 -0.34 0.00 0.00 43.02 39.20 3ng1 s PHE 282 CO 0.58 -0.38 0.15 0.71 -1.46 0.00 0.00 175.22 174.82 3ng1 s TYR 283 N 2.75 3.54 0.17 10.12 2.02 -1.26 -4.49 117.35 130.20 3ng1 s TYR 283 Ca 0.39 -2.35 -0.14 0.00 -0.37 0.00 0.00 57.07 54.59 3ng1 s TYR 283 Cb -0.16 -2.98 0.12 0.00 -0.40 0.00 0.00 41.96 38.55 3ng1 s TYR 283 CO 0.08 -0.93 1.75 -1.35 -1.57 0.00 0.00 175.55 173.53 3ng1 h PRO 284 N 8.00 0.29 -0.27 -1.71 0.11 -1.84 -0.75 132.00 135.83 3ng1 h PRO 284 Ca -0.14 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 3ng1 h PRO 284 Cb 1.05 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3ng1 h PRO 284 CO 0.65 0.19 0.11 0.93 -0.21 0.00 0.00 178.00 179.68 3ng1 h GLU 285 N 0.30 0.39 -0.51 1.05 5.08 -1.90 0.67 114.58 119.66 3ng1 h GLU 285 Ca 0.20 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3ng1 h GLU 285 Cb 0.20 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3ng1 h GLU 285 CO -0.22 0.41 0.29 -0.09 -1.00 0.00 0.00 179.01 178.40 3ng1 h ARG 286 N 0.28 0.70 -0.37 2.33 9.65 -1.92 -1.77 114.38 123.29 3ng1 h ARG 286 Ca 0.09 -0.08 -0.13 0.00 -1.10 0.00 0.00 59.98 58.76 3ng1 h ARG 286 Cb 0.16 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 3ng1 h ARG 286 CO -0.01 0.54 -0.30 1.25 2.80 0.00 0.00 179.97 184.25 3ng1 h LEU 287 N 0.68 0.83 -0.34 3.80 5.85 -0.99 -1.66 115.31 123.48 3ng1 h LEU 287 Ca 0.18 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3ng1 h LEU 287 Cb 0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3ng1 h LEU 287 CO -0.03 1.07 0.22 0.00 -0.34 0.00 0.00 178.44 179.36 3ng1 h ALA 288 N 0.98 0.43 -0.53 1.25 0.00 -0.64 -1.39 119.26 119.36 3ng1 h ALA 288 Ca 0.08 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3ng1 h ALA 288 Cb 0.84 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3ng1 h ALA 288 CO 0.07 -0.12 -0.03 0.78 0.00 0.00 0.00 179.25 179.95 3ng1 h GLY 289 N 0.45 1.00 1.28 0.00 0.00 -1.21 -2.72 103.07 101.86 3ng1 h GLY 289 Ca 0.12 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 46.63 3ng1 h GLY 289 CO -0.03 0.67 -0.13 3.21 0.00 0.00 0.00 176.54 180.26 3ng1 h ARG 290 N 0.85 0.85 -0.79 4.80 3.08 -1.05 0.40 114.38 122.52 3ng1 h ARG 290 Ca 0.15 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 3ng1 h ARG 290 Cb 0.55 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 3ng1 h ARG 290 CO 0.03 0.93 0.34 0.82 -1.07 0.00 0.00 179.97 181.02 3ng1 h ILE 291 N 0.76 1.26 -0.18 2.04 2.04 -1.14 -1.19 117.51 121.10 3ng1 h ILE 291 Ca 0.12 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 3ng1 h ILE 291 Cb 0.64 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3ng1 h ILE 291 CO 0.04 0.32 0.02 0.18 0.00 0.00 0.00 178.15 178.72 3ng1 n LEU 292 N -4.31 2.54 -2.23 1.44 4.77 -1.04 -4.49 117.00 113.69 3ng1 n LEU 292 Ca 0.07 -1.29 -0.14 0.00 -0.03 0.00 0.00 56.01 54.62 3ng1 n LEU 292 Cb 0.17 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 3ng1 n LEU 292 CO 0.40 0.39 -0.18 0.61 -1.33 0.00 0.00 177.39 177.28 3ng1 n GLY 293 N 0.17 -0.12 0.28 -0.72 0.00 -0.45 -5.00 105.19 99.36 3ng1 n GLY 293 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.26 3ng1 n GLY 293 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35