#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g18 h LEU 9 N 0.00 0.00 -2.49 2.46 5.85 -1.99 -2.72 115.31 116.42 2g18 h LEU 9 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2g18 h LEU 9 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2g18 h LEU 9 CO 0.00 0.00 0.00 0.08 -0.34 0.00 0.00 178.44 178.18 2g18 h ARG 10 N 0.00 0.00 -0.47 1.25 0.11 -1.97 0.15 114.38 113.45 2g18 h ARG 10 Ca 0.21 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.21 2g18 h ARG 10 Cb 0.95 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.01 2g18 h ARG 10 CO -0.00 0.00 -0.03 0.93 0.10 0.00 0.00 179.97 180.97 2g18 h GLU 11 N 0.00 0.79 -0.01 0.08 4.39 -1.91 -2.87 114.58 115.06 2g18 h GLU 11 Ca 0.00 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2g18 h GLU 11 Cb 0.14 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2g18 h GLU 11 CO 0.00 0.82 0.00 1.04 -1.16 0.00 0.00 179.01 179.71 2g18 n GLN 12 N -4.20 1.19 -3.50 2.33 6.02 0.04 -4.91 117.38 114.35 2g18 n GLN 12 Ca 0.02 -0.28 -0.20 0.00 -0.01 0.00 0.00 57.00 56.54 2g18 n GLN 12 Cb 0.32 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.09 2g18 n GLN 12 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2g18 s GLN 13 N -1.99 2.81 0.14 -1.09 -0.21 -1.08 -5.05 119.66 113.18 2g18 s GLN 13 Ca 0.43 -1.26 -0.34 0.00 0.02 0.00 0.00 55.36 54.22 2g18 s GLN 13 Cb 0.21 -2.61 -0.17 0.00 1.00 0.00 0.00 33.01 31.44 2g18 s GLN 13 CO 0.34 -0.05 1.00 1.58 -2.12 0.00 0.00 175.29 176.04 2g18 n HIS 14 N -1.58 0.75 -0.00 0.91 -0.00 -1.26 -4.72 115.22 109.31 2g18 n HIS 14 Ca 0.02 0.84 0.14 0.00 -0.00 0.00 0.00 57.72 58.72 2g18 n HIS 14 Cb 0.60 -2.16 0.58 0.00 -0.00 0.00 0.00 29.99 29.01 2g18 n HIS 14 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2g18 h PRO 15 N 2.75 0.20 -0.04 1.57 0.11 -1.92 -0.29 132.00 134.38 2g18 h PRO 15 Ca -0.42 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.53 2g18 h PRO 15 Cb 1.39 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 2g18 h PRO 15 CO 0.66 0.14 -0.63 1.25 -0.21 0.00 0.00 178.00 179.20 2g18 h LEU 16 N 0.21 0.20 -0.33 2.35 5.85 -1.99 -0.66 115.31 120.94 2g18 h LEU 16 Ca 0.22 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2g18 h LEU 16 Cb 0.61 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2g18 h LEU 16 CO -0.04 0.78 0.11 0.40 -0.34 0.00 0.00 178.44 179.35 2g18 h ILE 17 N 0.12 1.20 -0.21 4.05 2.04 -1.42 -0.66 117.51 122.63 2g18 h ILE 17 Ca -0.01 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.24 2g18 h ILE 17 Cb 1.14 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 2g18 h ILE 17 CO 0.09 0.22 -0.03 -0.09 0.00 0.00 0.00 178.15 178.35 2g18 h ARG 18 N 0.39 0.03 -0.52 2.37 2.43 -1.23 -0.06 114.38 117.79 2g18 h ARG 18 Ca 0.11 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2g18 h ARG 18 Cb 0.24 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2g18 h ARG 18 CO -0.00 0.02 0.17 1.96 -1.51 0.00 0.00 179.97 180.61 2g18 h GLN 19 N 0.03 0.81 -0.54 0.20 4.20 -1.04 -1.41 115.11 117.36 2g18 h GLN 19 Ca 0.10 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 2g18 h GLN 19 Cb 0.14 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2g18 h GLN 19 CO -0.20 0.74 -0.13 1.25 -0.67 0.00 0.00 178.83 179.82 2g18 h LEU 20 N 0.71 1.04 -0.19 1.46 5.85 -0.82 -0.74 115.31 122.63 2g18 h LEU 20 Ca 0.17 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2g18 h LEU 20 Cb 0.26 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2g18 h LEU 20 CO -0.01 1.16 0.07 0.00 -0.34 0.00 0.00 178.44 179.32 2g18 h ALA 21 N 0.92 0.24 -0.76 1.25 0.00 -0.83 0.23 119.26 120.31 2g18 h ALA 21 Ca 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2g18 h ALA 21 Cb 0.70 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2g18 h ALA 21 CO 0.05 -0.16 0.35 -0.44 0.00 0.00 0.00 179.25 179.05 2g18 h ASP 22 N 0.15 1.00 -0.21 0.00 3.32 -1.18 -2.14 116.42 117.36 2g18 h ASP 22 Ca 0.06 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 2g18 h ASP 22 Cb 0.18 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2g18 h ASP 22 CO -0.00 0.87 0.03 0.00 -1.72 0.00 0.00 179.24 178.42 2g18 h ILE 24 N 0.14 1.01 -0.42 0.00 2.04 -0.81 -1.69 117.51 117.78 2g18 h ILE 24 Ca 0.06 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.66 2g18 h ILE 24 Cb 0.32 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2g18 h ILE 24 CO 0.00 0.08 -0.18 -0.33 0.00 0.00 0.00 178.15 177.73 2g18 h GLU 25 N 0.45 0.80 -0.35 2.37 5.08 -1.30 -0.78 114.58 120.86 2g18 h GLU 25 Ca 0.17 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2g18 h GLU 25 Cb 0.04 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2g18 h GLU 25 CO -0.10 0.92 0.19 1.49 -1.00 0.00 0.00 179.01 180.51 2g18 h GLU 26 N 0.71 0.48 -0.58 2.33 4.81 -0.58 -1.47 114.58 120.28 2g18 h GLU 26 Ca 0.11 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 2g18 h GLU 26 Cb 0.69 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 2g18 h GLU 26 CO 0.05 0.40 0.06 0.28 -0.73 0.00 0.00 179.01 179.07 2g18 h VAL 27 N 0.43 1.26 -0.31 0.32 2.07 -1.16 -0.88 116.25 117.99 2g18 h VAL 27 Ca 0.12 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.65 2g18 h VAL 27 Cb 0.06 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 2g18 h VAL 27 CO -0.02 0.38 0.01 -0.50 0.02 0.00 0.00 177.57 177.46 2g18 h TRP 28 N 0.89 -0.01 -0.03 1.57 6.55 -0.96 -1.78 115.95 122.18 2g18 h TRP 28 Ca 0.17 0.02 -0.08 0.00 0.95 0.00 0.00 58.89 59.95 2g18 h TRP 28 Cb 0.47 0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.81 2g18 h TRP 28 CO 0.03 -0.05 -0.37 0.45 -1.05 0.00 0.00 178.44 177.46 2g18 h HIS 29 N 0.10 0.07 -0.12 0.49 3.86 -0.96 -0.50 115.15 118.09 2g18 h HIS 29 Ca 0.15 -0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.17 2g18 h HIS 29 Cb 0.19 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 28.65 2g18 h HIS 29 CO -0.22 0.43 -0.60 0.37 0.86 0.00 0.00 177.93 178.77 2g18 h GLN 30 N 0.06 0.62 0.00 2.45 4.15 -0.79 -3.39 115.11 118.21 2g18 h GLN 30 Ca 0.00 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 58.92 2g18 h GLN 30 Cb 0.68 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.47 2g18 h GLN 30 CO 0.05 1.12 -0.58 0.72 -1.93 0.00 0.00 178.83 178.21 2g18 n HIS 31 N -4.13 0.00 -4.55 3.99 8.25 -0.70 -5.03 115.22 113.04 2g18 n HIS 31 Ca -0.08 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.12 2g18 n HIS 31 Cb 0.65 -0.03 -0.11 0.00 1.12 0.00 0.00 29.99 31.62 2g18 n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2g18 s LEU 32 N -2.62 2.75 -0.61 2.41 1.43 -0.21 -5.00 118.68 116.83 2g18 s LEU 32 Ca 0.02 -1.24 -0.11 0.00 -1.03 0.00 0.00 54.13 51.77 2g18 s LEU 32 Cb 0.07 -0.95 0.16 0.00 0.03 0.00 0.00 46.19 45.49 2g18 s LEU 32 CO 0.37 -0.27 0.52 -0.62 0.23 0.00 0.00 176.35 176.58 2g18 s ASP 33 N -3.62 6.04 0.06 2.29 2.15 -1.26 -4.72 116.67 117.61 2g18 s ASP 33 Ca 0.33 -2.26 -0.23 0.00 0.43 0.00 0.00 52.55 50.83 2g18 s ASP 33 Cb 0.04 -2.09 -0.06 0.00 -0.30 0.00 0.00 42.92 40.51 2g18 s ASP 33 CO 0.17 -0.65 0.68 -0.76 -0.17 0.00 0.00 175.17 174.44 2g18 s LEU 34 N 0.85 4.49 0.18 -1.34 1.43 -1.26 -4.46 118.68 118.56 2g18 s LEU 34 Ca 0.10 1.36 0.08 0.00 -1.03 0.00 0.00 54.13 54.65 2g18 s LEU 34 Cb -0.21 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 2g18 s LEU 34 CO -0.03 0.13 -0.16 -0.44 0.23 0.00 0.00 176.35 176.09 2g18 s SER 35 N -0.54 2.56 0.65 2.29 0.01 -0.21 -4.97 113.70 113.50 2g18 s SER 35 Ca 0.34 -0.92 -0.16 0.00 1.31 0.00 0.00 55.95 56.52 2g18 s SER 35 Cb -0.20 -0.14 -0.00 0.00 0.21 0.00 0.00 66.02 65.89 2g18 s SER 35 CO 0.21 -0.10 1.16 -2.16 0.41 0.00 0.00 173.24 172.76 2g18 s PRO 36 N -3.12 2.70 -0.17 12.44 0.04 -1.26 -0.82 135.00 144.80 2g18 s PRO 36 Ca 0.18 1.60 -0.00 0.00 0.04 0.00 0.00 61.00 62.81 2g18 s PRO 36 Cb -0.04 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.62 2g18 s PRO 36 CO 0.06 -1.36 -0.07 -0.47 0.04 0.00 0.00 177.00 175.20 2g18 s TYR 37 N -2.04 1.94 -0.33 0.56 5.04 -1.09 -4.48 117.35 116.96 2g18 s TYR 37 Ca 0.72 -1.24 -0.20 0.00 -2.44 0.00 0.00 57.07 53.91 2g18 s TYR 37 Cb -0.25 -1.43 -0.01 0.00 0.35 0.00 0.00 41.96 40.62 2g18 s TYR 37 CO 0.39 -0.66 0.59 -1.01 -1.34 0.00 0.00 175.55 173.53 2g18 s HIS 38 N 1.55 3.19 0.43 4.97 3.76 -1.26 -4.49 115.29 123.44 2g18 s HIS 38 Ca 0.00 0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 55.32 2g18 s HIS 38 Cb -0.15 -2.99 -0.02 0.00 1.11 0.00 0.00 32.58 30.53 2g18 s HIS 38 CO -0.08 -0.52 0.67 -0.51 -0.85 0.00 0.00 174.74 173.45 2g18 s LEU 39 N 2.56 3.73 -0.42 0.89 1.43 -1.26 -5.03 118.68 120.58 2g18 s LEU 39 Ca 0.23 0.50 -0.45 0.00 -1.03 0.00 0.00 54.13 53.39 2g18 s LEU 39 Cb -0.15 -3.39 -0.18 0.00 0.03 0.00 0.00 46.19 42.50 2g18 s LEU 39 CO 0.13 -0.57 1.66 -2.65 0.23 0.00 0.00 176.35 175.15 2g18 n PRO 40 N -2.06 0.40 -0.24 1.29 -0.02 -1.26 -4.77 135.00 128.34 2g18 n PRO 40 Ca -0.01 0.15 0.32 0.00 -2.02 0.00 0.00 63.50 61.94 2g18 n PRO 40 Cb 0.57 -1.71 0.71 0.00 -0.02 0.00 0.00 33.50 33.05 2g18 n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2g18 h ALA 41 N 5.84 2.94 0.00 3.55 0.00 -2.00 1.76 119.26 131.35 2g18 h ALA 41 Ca -0.44 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 2g18 h ALA 41 Cb 1.35 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2g18 h ALA 41 CO 0.98 -1.39 -0.35 0.93 0.00 0.00 0.00 179.25 179.42 2g18 h GLU 42 N 0.00 0.00 -0.00 0.00 5.08 -1.88 -3.22 114.58 114.56 2g18 h GLU 42 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 2g18 h GLU 42 Cb 2.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.45 2g18 h GLU 42 CO -0.01 0.35 -0.27 1.28 -1.00 0.00 0.00 179.01 179.37 2g18 n LEU 43 N -3.38 0.46 0.10 1.33 4.77 0.60 -3.85 117.00 117.03 2g18 n LEU 43 Ca 0.01 0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 56.01 2g18 n LEU 43 Cb 0.55 -0.27 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 2g18 n LEU 43 CO 0.36 0.10 0.39 1.23 -1.33 0.00 0.00 177.39 178.14 2g18 h GLY 44 N 4.98 0.13 -6.94 -0.72 0.00 -1.52 -3.42 103.07 95.59 2g18 h GLY 44 Ca 0.00 -0.19 -0.33 0.00 0.00 0.00 0.00 47.33 46.81 2g18 h GLY 44 CO 0.00 0.17 -0.66 -0.47 0.00 0.00 0.00 176.54 175.58 2g18 s TYR 45 N -3.45 -0.13 -0.07 5.60 5.04 -1.25 -0.82 117.35 122.28 2g18 s TYR 45 Ca -0.02 0.37 0.04 0.00 -2.44 0.00 0.00 57.07 55.02 2g18 s TYR 45 Cb 0.12 -0.36 -0.00 0.00 0.35 0.00 0.00 41.96 42.06 2g18 s TYR 45 CO 0.80 -0.36 -0.20 0.08 -1.34 0.00 0.00 175.55 174.52 2g18 s VAL 46 N 2.27 1.69 -0.01 3.14 1.01 -0.02 -4.83 120.40 123.65 2g18 s VAL 46 Ca 0.04 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.25 2g18 s VAL 46 Cb -0.13 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 2g18 s VAL 46 CO -0.07 0.48 -0.22 -1.61 0.00 0.00 0.00 175.10 173.68 2g18 s GLU 47 N 0.21 1.73 0.00 2.72 2.02 -1.26 -0.57 118.70 123.55 2g18 s GLU 47 Ca -0.11 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.09 2g18 s GLU 47 Cb -0.15 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.39 2g18 s GLU 47 CO 0.05 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.20 2g18 n GLY 48 N 2.47 2.60 2.97 -1.39 0.00 0.51 -4.99 105.19 107.36 2g18 n GLY 48 Ca -0.16 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 2g18 n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2g18 s ARG 49 N -1.17 0.30 -0.24 1.61 1.81 -1.26 -0.51 118.95 119.50 2g18 s ARG 49 Ca 0.00 -0.43 -0.05 0.00 -1.72 0.00 0.00 55.73 53.53 2g18 s ARG 49 Cb 0.00 -0.09 0.13 0.00 -0.45 0.00 0.00 34.95 34.54 2g18 s ARG 49 CO 0.00 0.01 0.45 -1.17 -0.68 0.00 0.00 175.30 173.92 2g18 s LEU 50 N -0.93 -0.81 -1.47 2.53 2.96 -0.13 -4.68 118.68 116.15 2g18 s LEU 50 Ca -0.08 0.72 -0.06 0.00 -0.22 0.00 0.00 54.13 54.49 2g18 s LEU 50 Cb -0.06 1.49 0.03 0.00 0.50 0.00 0.00 46.19 48.14 2g18 s LEU 50 CO -0.00 -0.26 0.58 -0.62 -1.32 0.00 0.00 176.35 174.73 2g18 n GLU 51 N 5.39 -4.51 0.00 1.98 -0.58 -1.26 -0.09 120.64 121.58 2g18 n GLU 51 Ca -0.06 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.46 2g18 n GLU 51 Cb 0.50 -5.59 0.00 0.00 -0.57 0.00 0.00 31.44 25.77 2g18 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2g18 n GLY 52 N -1.43 3.01 3.79 0.62 0.00 -1.26 -5.02 105.19 104.91 2g18 n GLY 52 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2g18 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g18 s GLU 53 N -0.05 4.42 0.14 1.61 0.41 0.87 -5.01 118.70 121.09 2g18 s GLU 53 Ca 0.00 1.31 -0.31 0.00 -0.41 0.00 0.00 54.97 55.57 2g18 s GLU 53 Cb 0.00 -2.61 -0.08 0.00 -1.78 0.00 0.00 34.13 29.67 2g18 s GLU 53 CO 0.00 0.13 1.30 0.21 -0.49 0.00 0.00 175.26 176.41 2g18 s LYS 54 N -2.40 4.38 -0.16 1.61 2.20 -1.26 -0.96 119.74 123.15 2g18 s LYS 54 Ca 0.54 1.98 -0.05 0.00 -0.36 0.00 0.00 55.97 58.09 2g18 s LYS 54 Cb -0.17 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 2g18 s LYS 54 CO 0.22 -0.30 -0.01 -1.17 -0.36 0.00 0.00 175.35 173.73 2g18 s LEU 55 N 0.56 3.41 -0.03 5.43 0.20 0.34 -0.82 118.68 127.77 2g18 s LEU 55 Ca 0.60 -0.06 0.01 0.00 0.69 0.00 0.00 54.13 55.37 2g18 s LEU 55 Cb -0.35 -1.83 0.01 0.00 -0.43 0.00 0.00 46.19 43.59 2g18 s LEU 55 CO 0.33 0.18 -0.05 -0.89 -0.29 0.00 0.00 176.35 175.64 2g18 s THR 56 N 0.30 0.48 -0.07 3.68 2.01 -0.20 -0.37 115.64 121.47 2g18 s THR 56 Ca -0.02 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2g18 s THR 56 Cb -0.14 -0.47 0.02 0.00 0.01 0.00 0.00 72.50 71.93 2g18 s THR 56 CO 0.02 0.18 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.44 2g18 s ILE 57 N 0.47 0.76 -0.21 1.82 1.01 0.26 -1.13 121.20 124.17 2g18 s ILE 57 Ca -0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.38 2g18 s ILE 57 Cb -0.09 -0.77 0.02 0.00 0.01 0.00 0.00 42.46 41.63 2g18 s ILE 57 CO -0.00 0.29 -0.13 -0.70 0.00 0.00 0.00 174.94 174.40 2g18 s GLU 58 N 1.15 2.91 -0.08 2.79 2.12 0.58 -0.84 118.70 127.33 2g18 s GLU 58 Ca -0.07 -0.90 0.02 0.00 0.36 0.00 0.00 54.97 54.38 2g18 s GLU 58 Cb -0.14 -2.79 -0.02 0.00 0.26 0.00 0.00 34.13 31.44 2g18 s GLU 58 CO -0.01 -0.30 -0.12 -0.80 -0.54 0.00 0.00 175.26 173.48 2g18 s ASN 59 N 1.30 4.20 -0.03 -1.70 0.01 0.00 -0.90 114.94 117.82 2g18 s ASN 59 Ca 0.02 -0.18 -0.01 0.00 -0.71 0.00 0.00 52.86 51.98 2g18 s ASN 59 Cb -0.15 -1.12 0.03 0.00 0.41 0.00 0.00 41.25 40.42 2g18 s ASN 59 CO -0.08 0.30 0.04 -0.60 -1.51 0.00 0.00 177.10 175.25 2g18 s ARG 60 N -0.47 0.02 0.05 -0.60 3.52 -0.12 -4.79 118.95 116.56 2g18 s ARG 60 Ca 0.06 0.27 0.06 0.00 -0.13 0.00 0.00 55.73 55.99 2g18 s ARG 60 Cb -0.12 -0.46 -0.03 0.00 -1.56 0.00 0.00 34.95 32.79 2g18 s ARG 60 CO 0.02 -0.26 -0.15 0.00 -0.81 0.00 0.00 175.30 174.10 2g18 s TYR 62 N -0.99 1.51 0.06 0.00 1.51 0.09 -2.67 117.35 116.85 2g18 s TYR 62 Ca 0.02 -1.42 -0.05 0.00 -1.01 0.00 0.00 57.07 54.60 2g18 s TYR 62 Cb -0.09 -0.75 -0.01 0.00 -0.11 0.00 0.00 41.96 41.00 2g18 s TYR 62 CO 0.02 -0.61 0.10 1.14 -1.11 0.00 0.00 175.55 175.08 2g18 s GLN 63 N -3.85 0.67 0.29 -0.62 -2.07 -0.00 0.39 119.66 114.47 2g18 s GLN 63 Ca 0.38 -0.93 0.03 0.00 -1.82 0.00 0.00 55.36 53.02 2g18 s GLN 63 Cb 0.05 0.26 -0.04 0.00 -1.09 0.00 0.00 33.01 32.20 2g18 s GLN 63 CO 0.18 -0.18 0.18 0.95 -1.32 0.00 0.00 175.29 175.11 2g18 s THR 64 N -3.30 0.17 0.51 3.63 -4.23 -0.62 -1.05 115.64 110.76 2g18 s THR 64 Ca 0.01 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.77 2g18 s THR 64 Cb 0.03 -2.50 0.42 0.00 1.34 0.00 0.00 72.50 71.79 2g18 s THR 64 CO -0.08 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 175.28 2g18 h PRO 65 N 2.27 0.09 0.00 3.99 0.11 -2.02 -2.56 132.00 133.89 2g18 h PRO 65 Ca -0.32 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 2g18 h PRO 65 Cb 1.25 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2g18 h PRO 65 CO 0.48 0.06 -1.68 1.04 -0.21 0.00 0.00 178.00 177.69 2g18 n GLN 66 N -4.37 0.64 -4.03 1.05 3.00 -1.26 -4.86 117.38 107.55 2g18 n GLN 66 Ca 0.15 -0.08 -0.33 0.00 -0.01 0.00 0.00 57.00 56.72 2g18 n GLN 66 Cb 0.74 -1.63 -0.15 0.00 0.00 0.00 0.00 30.24 29.20 2g18 n GLN 66 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2g18 s PHE 67 N -3.42 3.03 0.41 1.08 0.40 -0.96 -0.79 117.98 117.72 2g18 s PHE 67 Ca -0.06 -1.75 0.12 0.00 -0.60 0.00 0.00 56.93 54.65 2g18 s PHE 67 Cb 0.12 -1.99 0.95 0.00 0.51 0.00 0.00 43.02 42.61 2g18 s PHE 67 CO 0.87 -0.78 1.94 -0.09 0.70 0.00 0.00 175.22 177.85 2g18 h ARG 68 N 7.94 0.51 -1.87 0.44 2.43 -1.03 -1.64 114.38 121.16 2g18 h ARG 68 Ca -0.33 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 58.85 2g18 h ARG 68 Cb 1.10 -0.11 -0.23 0.00 -0.42 0.00 0.00 29.97 30.31 2g18 h ARG 68 CO 0.57 0.34 0.12 0.21 -1.51 0.00 0.00 179.97 179.69 2g18 s LYS 69 N -5.50 0.62 -0.21 0.20 2.20 -1.14 -4.67 119.74 111.25 2g18 s LYS 69 Ca -0.08 1.08 0.01 0.00 -0.36 0.00 0.00 55.97 56.61 2g18 s LYS 69 Cb 0.20 0.13 0.05 0.00 -1.51 0.00 0.00 37.83 36.70 2g18 s LYS 69 CO 0.77 -0.13 -0.08 -1.64 -0.36 0.00 0.00 175.35 173.91 2g18 s MET 70 N 1.58 1.80 -0.16 4.03 -1.94 0.16 -0.19 119.30 124.58 2g18 s MET 70 Ca -0.10 -0.84 0.01 0.00 -1.71 0.00 0.00 55.69 53.05 2g18 s MET 70 Cb -0.05 -2.41 0.02 0.00 2.01 0.00 0.00 34.83 34.41 2g18 s MET 70 CO -0.19 -0.48 -0.17 -1.58 -0.01 0.00 0.00 175.02 172.59 2g18 s HIS 71 N 1.43 2.42 -0.25 -0.03 5.04 0.26 -0.74 115.29 123.43 2g18 s HIS 71 Ca -0.02 -1.37 -0.06 0.00 -1.54 0.00 0.00 55.06 52.07 2g18 s HIS 71 Cb -0.17 -1.72 -0.01 0.00 0.04 0.00 0.00 32.58 30.72 2g18 s HIS 71 CO -0.07 -0.70 0.02 -1.17 -2.34 0.00 0.00 174.74 170.48 2g18 s LEU 72 N 1.32 3.33 -0.13 8.88 2.96 0.88 -1.50 118.68 134.41 2g18 s LEU 72 Ca 0.03 -0.44 -0.00 0.00 -0.22 0.00 0.00 54.13 53.50 2g18 s LEU 72 Cb -0.13 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 2g18 s LEU 72 CO -0.10 -0.07 -0.12 -0.70 -1.32 0.00 0.00 176.35 174.03 2g18 s GLU 73 N 1.52 3.40 -0.08 1.98 2.12 0.88 -0.95 118.70 127.58 2g18 s GLU 73 Ca 0.05 -0.67 0.04 0.00 0.36 0.00 0.00 54.97 54.75 2g18 s GLU 73 Cb -0.15 -2.65 -0.00 0.00 0.26 0.00 0.00 34.13 31.58 2g18 s GLU 73 CO 0.00 0.22 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.22 2g18 s LEU 74 N 0.34 2.01 0.03 2.70 1.43 -0.08 -1.20 118.68 123.90 2g18 s LEU 74 Ca -0.10 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 2g18 s LEU 74 Cb -0.16 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 2g18 s LEU 74 CO 0.05 0.16 -0.07 0.00 0.23 0.00 0.00 176.35 176.72 2g18 s ALA 75 N 0.25 0.53 -0.01 4.21 0.00 -0.20 -0.31 121.76 126.23 2g18 s ALA 75 Ca -0.14 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.26 2g18 s ALA 75 Cb -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2g18 s ALA 75 CO 0.06 0.03 -0.03 0.21 0.00 0.00 0.00 175.76 176.04 2g18 s LYS 76 N -1.05 0.24 -0.27 0.00 2.20 -0.28 -0.38 119.74 120.19 2g18 s LYS 76 Ca -0.06 -0.08 0.02 0.00 -0.36 0.00 0.00 55.97 55.49 2g18 s LYS 76 Cb -0.07 -0.26 0.07 0.00 -1.51 0.00 0.00 37.83 36.07 2g18 s LYS 76 CO 0.00 0.04 -0.03 0.08 -0.36 0.00 0.00 175.35 175.08 2g18 s VAL 77 N 0.07 1.83 0.00 4.02 1.01 -0.07 -1.03 120.40 126.22 2g18 s VAL 77 Ca -0.00 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.34 2g18 s VAL 77 Cb -0.03 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.21 2g18 s VAL 77 CO -0.00 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.45 2g18 n GLY 78 N 4.52 1.98 0.56 4.51 0.00 -0.00 -0.96 105.19 115.80 2g18 n GLY 78 Ca -0.08 0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.16 2g18 n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2g18 n ASN 79 N 1.31 2.97 0.04 1.61 3.02 -1.26 -4.59 115.26 118.35 2g18 n ASN 79 Ca 0.00 -2.31 -0.07 0.00 -0.03 0.00 0.00 54.58 52.18 2g18 n ASN 79 Cb 0.00 -0.28 -0.12 0.00 -0.61 0.00 0.00 39.78 38.77 2g18 n ASN 79 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2g18 h MET 80 N 1.52 0.00 -2.34 3.52 2.86 -1.44 -3.43 114.93 115.62 2g18 h MET 80 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2g18 h MET 80 Cb 0.88 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 32.30 2g18 h MET 80 CO 0.05 0.76 -0.19 -1.17 1.06 0.00 0.00 176.91 177.42 2g18 s LEU 81 N -6.44 -0.59 -0.04 1.22 2.96 -0.97 -4.32 118.68 110.50 2g18 s LEU 81 Ca -0.01 1.19 0.06 0.00 -0.22 0.00 0.00 54.13 55.15 2g18 s LEU 81 Cb 0.09 1.79 -0.01 0.00 0.50 0.00 0.00 46.19 48.55 2g18 s LEU 81 CO 0.82 -0.22 -0.23 -1.81 -1.32 0.00 0.00 176.35 173.59 2g18 s ASP 82 N 1.88 2.77 -0.01 3.68 1.01 -0.33 -0.89 116.67 124.77 2g18 s ASP 82 Ca -0.08 -0.45 0.01 0.00 0.71 0.00 0.00 52.55 52.75 2g18 s ASP 82 Cb -0.08 -0.59 0.00 0.00 1.01 0.00 0.00 42.92 43.26 2g18 s ASP 82 CO -0.16 0.24 -0.05 -0.63 0.21 0.00 0.00 175.17 174.79 2g18 s ILE 83 N -0.27 0.42 -0.08 0.77 1.01 0.49 -1.28 121.20 122.25 2g18 s ILE 83 Ca 0.01 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.52 2g18 s ILE 83 Cb -0.11 -0.38 -0.00 0.00 0.01 0.00 0.00 42.46 41.98 2g18 s ILE 83 CO 0.02 0.13 -0.22 -0.22 0.00 0.00 0.00 174.94 174.65 2g18 s LEU 84 N 0.10 2.00 -0.04 2.97 0.20 0.03 -1.04 118.68 122.89 2g18 s LEU 84 Ca -0.01 -0.49 0.02 0.00 0.69 0.00 0.00 54.13 54.34 2g18 s LEU 84 Cb -0.05 -1.26 0.01 0.00 -0.43 0.00 0.00 46.19 44.46 2g18 s LEU 84 CO -0.00 0.16 -0.08 -2.28 -0.29 0.00 0.00 176.35 173.86 2g18 s HIS 85 N 0.25 0.97 -0.02 5.38 5.65 -0.34 -0.80 115.29 126.39 2g18 s HIS 85 Ca -0.14 -0.29 0.01 0.00 0.25 0.00 0.00 55.06 54.89 2g18 s HIS 85 Cb -0.16 -0.75 0.01 0.00 -1.18 0.00 0.00 32.58 30.50 2g18 s HIS 85 CO 0.06 -0.18 -0.03 0.00 -0.65 0.00 0.00 174.74 173.95 2g18 s VAL 87 N 0.45 0.11 -0.18 0.00 1.01 -0.56 -1.27 120.40 119.95 2g18 s VAL 87 Ca -0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 2g18 s VAL 87 Cb -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 2g18 s VAL 87 CO -0.01 0.02 -0.07 -0.04 0.00 0.00 0.00 175.10 175.00 2g18 s MET 88 N -0.06 3.41 -0.36 2.72 -1.94 -0.42 -0.57 119.30 122.07 2g18 s MET 88 Ca 0.00 -0.63 -0.11 0.00 -1.71 0.00 0.00 55.69 53.24 2g18 s MET 88 Cb -0.01 -2.87 0.02 0.00 2.01 0.00 0.00 34.83 33.98 2g18 s MET 88 CO -0.00 -0.01 0.21 -0.06 -0.01 0.00 0.00 175.02 175.15 2g18 s PHE 89 N 0.97 3.23 0.63 -0.03 0.40 0.73 -3.61 117.98 120.30 2g18 s PHE 89 Ca -0.01 -0.76 -0.16 0.00 -0.60 0.00 0.00 56.93 55.40 2g18 s PHE 89 Cb -0.15 -2.45 -0.02 0.00 0.51 0.00 0.00 43.02 40.92 2g18 s PHE 89 CO -0.00 -0.57 1.11 -2.14 0.70 0.00 0.00 175.22 174.31 2g18 s PRO 90 N 1.60 2.98 0.29 0.24 0.02 -1.26 -0.56 135.00 138.30 2g18 s PRO 90 Ca 0.03 1.42 -0.29 0.00 0.02 0.00 0.00 61.00 62.18 2g18 s PRO 90 Cb -0.19 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.26 2g18 s PRO 90 CO 0.07 -1.11 1.42 1.03 -0.33 0.00 0.00 177.00 178.08 2g18 s ARG 91 N -3.90 4.27 0.00 5.54 0.52 0.03 -4.36 118.95 121.04 2g18 s ARG 91 Ca 0.68 2.32 0.07 0.00 -0.52 0.00 0.00 55.73 58.28 2g18 s ARG 91 Cb -0.21 -3.08 0.29 0.00 0.52 0.00 0.00 34.95 32.47 2g18 s ARG 91 CO 0.38 -0.38 1.19 -0.35 0.02 0.00 0.00 175.30 176.16 2g18 n PRO 92 N 1.68 0.01 0.11 3.54 -0.04 -1.26 -1.29 135.00 137.76 2g18 n PRO 92 Ca 0.04 0.37 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 2g18 n PRO 92 Cb 0.40 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.83 2g18 n PRO 92 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2g18 n GLU 93 N -1.48 0.18 -4.79 0.54 4.71 -1.26 -4.67 120.64 113.87 2g18 n GLU 93 Ca 0.02 0.39 -0.33 0.00 -0.01 0.00 0.00 57.16 57.23 2g18 n GLU 93 Cb 0.07 -1.82 -0.13 0.00 -1.01 0.00 0.00 31.44 28.55 2g18 n GLU 93 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2g18 s TYR 94 N -3.27 2.79 -1.35 -0.32 1.51 -0.41 -0.45 117.35 115.85 2g18 s TYR 94 Ca 0.05 -0.17 -0.14 0.00 -1.01 0.00 0.00 57.07 55.80 2g18 s TYR 94 Cb 0.10 -1.68 0.09 0.00 -0.11 0.00 0.00 41.96 40.35 2g18 s TYR 94 CO 0.39 0.18 1.92 -3.47 -1.11 0.00 0.00 175.55 173.46 2g18 n ASP 95 N 2.46 4.57 -4.11 2.29 2.03 -1.26 -4.83 116.55 117.69 2g18 n ASP 95 Ca -0.17 -2.93 -0.24 0.00 0.52 0.00 0.00 54.79 51.96 2g18 n ASP 95 Cb 0.52 -1.65 -0.16 0.00 -0.72 0.00 0.00 41.12 39.12 2g18 n ASP 95 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2g18 s LEU 96 N 2.37 1.93 1.18 -2.67 1.43 -1.26 -4.89 118.68 116.76 2g18 s LEU 96 Ca 0.47 -0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.09 2g18 s LEU 96 Cb 0.08 -0.86 0.27 0.00 0.03 0.00 0.00 46.19 45.72 2g18 s LEU 96 CO -0.01 0.15 1.07 -2.16 0.23 0.00 0.00 176.35 175.63 2g18 s PRO 97 N -0.06 -1.05 -0.31 1.29 0.04 -1.26 -4.68 135.00 128.97 2g18 s PRO 97 Ca -0.01 0.18 -0.14 0.00 0.04 0.00 0.00 61.00 61.07 2g18 s PRO 97 Cb -0.09 -1.59 -0.02 0.00 0.04 0.00 0.00 34.50 32.83 2g18 s PRO 97 CO 0.01 -3.65 0.34 -1.64 0.04 0.00 0.00 177.00 172.10 2g18 s MET 98 N -5.16 3.74 0.12 4.56 -1.94 0.51 -4.70 119.30 116.43 2g18 s MET 98 Ca 0.69 -0.29 -0.30 0.00 -1.71 0.00 0.00 55.69 54.08 2g18 s MET 98 Cb -0.14 -3.74 -0.06 0.00 2.01 0.00 0.00 34.83 32.90 2g18 s MET 98 CO 0.58 -0.41 0.98 0.12 -0.01 0.00 0.00 175.02 176.28 2g18 s PHE 99 N 1.98 3.79 -0.05 -0.03 5.36 -1.24 -0.87 117.98 126.93 2g18 s PHE 99 Ca 0.12 1.77 -0.05 0.00 -0.96 0.00 0.00 56.93 57.82 2g18 s PHE 99 Cb -0.16 -3.08 0.01 0.00 -0.34 0.00 0.00 43.02 39.45 2g18 s PHE 99 CO 0.11 0.11 0.13 0.20 -1.46 0.00 0.00 175.22 174.31 2g18 s GLY 100 N 0.01 -0.10 0.01 13.12 0.00 -0.48 -1.30 107.32 118.58 2g18 s GLY 100 Ca 0.47 0.39 -0.03 0.00 0.00 0.00 0.00 44.72 45.55 2g18 s GLY 100 CO 0.30 0.35 0.04 0.00 0.00 0.00 0.00 173.10 173.79 2g18 s ASP 102 N -1.33 0.50 -0.04 0.00 1.01 -0.30 -0.34 116.67 116.17 2g18 s ASP 102 Ca -0.14 -0.28 0.00 0.00 0.71 0.00 0.00 52.55 52.84 2g18 s ASP 102 Cb -0.09 0.00 0.03 0.00 1.01 0.00 0.00 42.92 43.87 2g18 s ASP 102 CO 0.00 -0.09 -0.01 -0.22 0.21 0.00 0.00 175.17 175.06 2g18 s LEU 103 N -0.74 1.15 -0.05 1.23 2.96 0.02 -1.18 118.68 122.07 2g18 s LEU 103 Ca -0.05 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 2g18 s LEU 103 Cb -0.05 -0.29 0.00 0.00 0.50 0.00 0.00 46.19 46.35 2g18 s LEU 103 CO -0.00 -0.10 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.08 2g18 s VAL 104 N 1.08 1.33 0.00 1.68 1.01 -0.13 -0.79 120.40 124.58 2g18 s VAL 104 Ca -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2g18 s VAL 104 Cb -0.14 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.09 2g18 s VAL 104 CO -0.01 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2g18 n GLY 105 N 3.28 3.13 0.00 4.51 0.00 -0.41 -1.54 105.19 114.17 2g18 n GLY 105 Ca -0.19 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2g18 n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g18 n GLY 106 N 0.00 2.68 3.73 -0.02 0.00 -1.24 -1.19 105.19 109.15 2g18 n GLY 106 Ca 0.00 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 2g18 n GLY 106 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2g18 s ARG 107 N -0.63 3.30 0.00 1.61 3.52 -1.26 -4.13 118.95 121.35 2g18 s ARG 107 Ca 0.00 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.28 2g18 s ARG 107 Cb 0.00 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 2g18 s ARG 107 CO 0.00 0.64 0.00 0.41 -0.81 0.00 0.00 175.30 175.54 2g18 n GLY 108 N 2.36 1.68 3.51 8.12 0.00 -1.26 -4.90 105.19 114.70 2g18 n GLY 108 Ca -0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 2g18 n GLY 108 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2g18 s GLN 109 N -0.06 1.07 -0.17 1.61 2.00 -1.26 -5.14 119.66 117.70 2g18 s GLN 109 Ca 0.00 0.19 -0.00 0.00 -2.00 0.00 0.00 55.36 53.55 2g18 s GLN 109 Cb 0.00 0.50 0.04 0.00 0.80 0.00 0.00 33.01 34.35 2g18 s GLN 109 CO 0.00 -0.35 -0.07 0.42 -0.50 0.00 0.00 175.29 174.80 2g18 s ILE 110 N -1.41 1.23 0.05 -2.34 1.01 -1.26 -3.61 121.20 114.87 2g18 s ILE 110 Ca -0.10 -0.69 0.11 0.00 0.00 0.00 0.00 60.65 59.97 2g18 s ILE 110 Cb -0.00 -1.37 -0.08 0.00 0.01 0.00 0.00 42.46 41.02 2g18 s ILE 110 CO 0.08 0.16 1.39 0.77 0.00 0.00 0.00 174.94 177.34 2g18 h SER 111 N 8.09 0.00 -3.36 3.58 4.64 -1.63 -3.37 113.55 121.50 2g18 h SER 111 Ca -0.26 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.92 2g18 h SER 111 Cb 1.11 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.93 2g18 h SER 111 CO 0.42 0.76 -0.35 0.00 -0.87 0.00 0.00 176.83 176.79 2g18 s ALA 112 N -2.93 -0.88 -0.06 5.18 0.00 -1.07 -4.46 121.76 117.54 2g18 s ALA 112 Ca 0.02 1.29 -0.00 0.00 0.00 0.00 0.00 51.96 53.26 2g18 s ALA 112 Cb 0.10 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.45 2g18 s ALA 112 CO 0.78 -0.23 -0.02 0.00 0.00 0.00 0.00 175.76 176.29 2g18 s ALA 113 N 1.17 0.73 -0.01 0.00 0.00 0.10 -0.95 121.76 122.80 2g18 s ALA 113 Ca -0.08 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.79 2g18 s ALA 113 Cb -0.08 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 2g18 s ALA 113 CO -0.09 -0.30 -0.10 -1.50 0.00 0.00 0.00 175.76 173.76 2g18 s ILE 114 N 1.58 0.82 -0.10 0.00 2.07 -0.32 -1.09 121.20 124.16 2g18 s ILE 114 Ca -0.01 -0.44 -0.09 0.00 -1.41 0.00 0.00 60.65 58.70 2g18 s ILE 114 Cb -0.13 -0.69 0.03 0.00 0.13 0.00 0.00 42.46 41.80 2g18 s ILE 114 CO -0.04 0.23 0.27 0.00 -1.91 0.00 0.00 174.94 173.50 2g18 s ALA 115 N -0.24 -0.67 0.07 1.50 0.00 -0.04 -1.15 121.76 121.22 2g18 s ALA 115 Ca 0.04 0.78 -0.20 0.00 0.00 0.00 0.00 51.96 52.58 2g18 s ALA 115 Cb -0.04 -0.46 0.05 0.00 0.00 0.00 0.00 23.12 22.67 2g18 s ALA 115 CO -0.00 -0.13 0.47 0.34 0.00 0.00 0.00 175.76 176.44 2g18 s ASP 116 N 0.19 -0.37 -0.68 0.00 2.15 0.09 -1.06 116.67 116.99 2g18 s ASP 116 Ca -0.00 0.01 -0.04 0.00 0.43 0.00 0.00 52.55 52.95 2g18 s ASP 116 Cb -0.02 0.48 0.18 0.00 -0.30 0.00 0.00 42.92 43.25 2g18 s ASP 116 CO 0.00 -0.75 0.52 -0.76 -0.17 0.00 0.00 175.17 174.00 2g18 s LEU 117 N -2.22 5.48 0.13 -1.34 1.43 -1.26 -1.39 118.68 119.52 2g18 s LEU 117 Ca -0.03 -2.92 -0.30 0.00 -1.03 0.00 0.00 54.13 49.85 2g18 s LEU 117 Cb -0.00 -1.91 -0.06 0.00 0.03 0.00 0.00 46.19 44.25 2g18 s LEU 117 CO -0.05 -0.38 0.97 -0.44 0.23 0.00 0.00 176.35 176.68 2g18 s SER 118 N 0.80 7.50 0.56 2.29 0.01 -0.05 -4.39 113.70 120.43 2g18 s SER 118 Ca 0.18 1.83 -0.19 0.00 1.31 0.00 0.00 55.95 59.08 2g18 s SER 118 Cb -0.18 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.41 2g18 s SER 118 CO -0.05 -0.05 1.12 -2.16 0.41 0.00 0.00 173.24 172.51 2g18 s PRO 119 N -0.14 3.26 -0.00 12.44 0.04 -1.25 -0.36 135.00 148.99 2g18 s PRO 119 Ca 0.46 1.55 0.10 0.00 0.04 0.00 0.00 61.00 63.15 2g18 s PRO 119 Cb -0.24 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 32.18 2g18 s PRO 119 CO 0.30 -0.91 0.37 1.33 0.04 0.00 0.00 177.00 178.14 2g18 n VAL 120 N -1.52 0.00 -2.11 -0.36 0.24 -1.26 -4.78 118.33 108.54 2g18 n VAL 120 Ca 0.11 -0.26 -0.40 0.00 -2.04 0.00 0.00 64.34 61.75 2g18 n VAL 120 Cb 0.51 0.83 -0.01 0.00 -1.47 0.00 0.00 33.84 33.70 2g18 n VAL 120 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2g18 s HIS 121 N -2.11 2.96 0.04 6.34 3.76 -1.26 -3.93 115.29 121.09 2g18 s HIS 121 Ca 0.02 1.43 0.32 0.00 -0.15 0.00 0.00 55.06 56.68 2g18 s HIS 121 Cb 0.07 -3.65 1.23 0.00 1.11 0.00 0.00 32.58 31.35 2g18 s HIS 121 CO 0.41 -1.89 1.94 -0.07 -0.85 0.00 0.00 174.74 174.27 2g18 h LEU 122 N 3.03 0.00 -1.53 0.89 3.38 -1.92 -2.09 115.31 117.07 2g18 h LEU 122 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2g18 h LEU 122 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2g18 h LEU 122 CO 0.64 0.01 0.00 -0.90 0.09 0.00 0.00 178.44 178.28 2g18 n ASP 123 N -3.10 2.22 0.00 -0.43 5.68 -1.26 -4.94 116.55 114.72 2g18 n ASP 123 Ca 0.01 -2.13 0.00 0.00 -0.50 0.00 0.00 54.79 52.17 2g18 n ASP 123 Cb 0.34 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2g18 n ASP 123 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2g18 n ARG 124 N 0.42 -0.41 -1.80 0.11 1.74 -0.78 -5.01 116.66 110.93 2g18 n ARG 124 Ca 0.12 0.10 -0.31 0.00 -0.77 0.00 0.00 57.85 56.99 2g18 n ARG 124 Cb 0.41 -3.62 0.03 0.00 -1.02 0.00 0.00 32.46 28.26 2g18 n ARG 124 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2g18 s THR 125 N -2.15 4.23 0.23 0.55 -4.23 -1.26 -4.71 115.64 108.29 2g18 s THR 125 Ca 0.00 0.73 0.08 0.00 -1.18 0.00 0.00 61.69 61.31 2g18 s THR 125 Cb 0.00 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 2g18 s THR 125 CO 0.00 -0.95 0.09 -0.76 -0.54 0.00 0.00 174.62 172.46 2g18 s LEU 126 N -5.32 3.52 0.85 4.79 1.43 -1.26 -4.26 118.68 118.43 2g18 s LEU 126 Ca 0.57 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 53.16 2g18 s LEU 126 Cb -0.12 -2.09 0.08 0.00 0.03 0.00 0.00 46.19 44.10 2g18 s LEU 126 CO 0.54 0.02 1.03 -2.65 0.23 0.00 0.00 176.35 175.51 2g18 n PRO 127 N -0.75 -0.03 -0.16 1.29 -0.02 -1.26 -4.69 135.00 129.39 2g18 n PRO 127 Ca -0.08 0.07 -0.04 0.00 -2.02 0.00 0.00 63.50 61.43 2g18 n PRO 127 Cb 0.57 -2.30 0.06 0.00 -0.02 0.00 0.00 33.50 31.81 2g18 n PRO 127 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2g18 h GLU 128 N -1.19 0.39 -0.44 -0.52 4.39 -1.99 -0.93 114.58 114.29 2g18 h GLU 128 Ca -0.45 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.30 2g18 h GLU 128 Cb 1.29 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 2g18 h GLU 128 CO 0.43 0.26 0.30 0.66 -1.16 0.00 0.00 179.01 179.50 2g18 h SER 129 N 0.40 0.24 -0.11 1.42 4.64 -2.00 -0.99 113.55 117.15 2g18 h SER 129 Ca 0.23 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.47 2g18 h SER 129 Cb 0.20 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2g18 h SER 129 CO -0.20 0.16 -0.24 1.88 -0.87 0.00 0.00 176.83 177.55 2g18 h TYR 130 N 0.28 0.45 -0.29 4.77 -1.99 -1.53 -2.70 116.97 115.95 2g18 h TYR 130 Ca 0.20 -0.17 0.05 0.00 2.00 0.00 0.00 58.73 60.81 2g18 h TYR 130 Cb 0.43 -0.08 -0.04 0.00 2.00 0.00 0.00 36.73 39.04 2g18 h TYR 130 CO -0.00 0.85 0.02 -0.91 -0.00 0.00 0.00 178.16 178.12 2g18 h ASN 131 N -0.07 -0.07 -0.24 3.88 2.35 -0.57 0.50 115.58 121.36 2g18 h ASN 131 Ca 0.00 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2g18 h ASN 131 Cb 0.83 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 2g18 h ASN 131 CO 0.05 0.00 0.16 0.28 -1.65 0.00 0.00 177.43 176.27 2g18 h SER 132 N 0.12 0.28 -0.49 5.81 0.02 -1.29 -0.82 113.55 117.18 2g18 h SER 132 Ca 0.14 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 2g18 h SER 132 Cb 0.17 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 2g18 h SER 132 CO -0.21 0.20 -0.04 0.00 -1.14 0.00 0.00 176.83 175.64 2g18 h ALA 133 N 1.08 0.66 -0.07 3.77 0.00 -1.12 -2.48 119.26 121.11 2g18 h ALA 133 Ca 0.09 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 2g18 h ALA 133 Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2g18 h ALA 133 CO -0.02 0.51 -0.63 -0.07 0.00 0.00 0.00 179.25 179.04 2g18 h LEU 134 N 0.75 0.29 -0.19 0.00 3.38 -0.72 -2.58 115.31 116.24 2g18 h LEU 134 Ca 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2g18 h LEU 134 Cb 0.57 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2g18 h LEU 134 CO 0.03 0.84 0.00 0.35 0.09 0.00 0.00 178.44 179.76 2g18 n THR 135 N -3.85 0.61 0.22 0.22 -2.24 -0.33 -2.46 114.28 106.45 2g18 n THR 135 Ca -0.03 -0.10 0.11 0.00 -2.27 0.00 0.00 64.05 61.77 2g18 n THR 135 Cb 0.64 -0.75 0.34 0.00 -2.10 0.00 0.00 70.33 68.46 2g18 n THR 135 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2g18 h SER 136 N 0.00 0.00 -3.92 3.42 0.02 -1.02 -3.45 113.55 108.59 2g18 h SER 136 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 2g18 h SER 136 Cb 0.59 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.18 2g18 h SER 136 CO 0.00 0.16 0.52 -0.76 -1.14 0.00 0.00 176.83 175.61 2g18 s LEU 137 N -6.41 4.27 0.74 5.07 1.43 -1.03 -4.98 118.68 117.77 2g18 s LEU 137 Ca 0.03 2.40 -0.15 0.00 -1.03 0.00 0.00 54.13 55.38 2g18 s LEU 137 Cb 0.08 -3.92 0.04 0.00 0.03 0.00 0.00 46.19 42.42 2g18 s LEU 137 CO 0.65 -0.60 1.21 0.20 0.23 0.00 0.00 176.35 178.04 2g18 s ASN 138 N -1.00 4.12 -0.10 2.29 0.01 -1.26 -4.97 114.94 114.03 2g18 s ASN 138 Ca 0.54 2.38 -0.30 0.00 -0.71 0.00 0.00 52.86 54.78 2g18 s ASN 138 Cb -0.32 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.73 2g18 s ASN 138 CO 0.41 -2.31 1.01 -0.89 -1.51 0.00 0.00 177.10 173.81 2g18 s THR 139 N -1.96 4.79 -0.24 1.60 2.01 -1.26 -5.02 115.64 115.54 2g18 s THR 139 Ca 0.75 2.05 -0.19 0.00 0.31 0.00 0.00 61.69 64.61 2g18 s THR 139 Cb -0.30 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 67.87 2g18 s THR 139 CO 0.46 0.01 0.54 -0.76 -0.69 0.00 0.00 174.62 174.18 2g18 s LEU 140 N 1.97 4.08 -1.17 4.42 1.43 -1.26 -5.00 118.68 123.14 2g18 s LEU 140 Ca 0.49 0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 54.00 2g18 s LEU 140 Cb -0.18 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 2g18 s LEU 140 CO 0.18 -0.28 1.93 -3.20 0.23 0.00 0.00 176.35 175.21 2g18 n ASN 141 N 5.39 3.63 -4.73 2.29 5.15 -1.26 -4.96 115.26 120.77 2g18 n ASN 141 Ca -0.03 -2.78 -0.41 0.00 -0.60 0.00 0.00 54.58 50.75 2g18 n ASN 141 Cb 0.50 -1.59 -0.04 0.00 -0.53 0.00 0.00 39.78 38.12 2g18 n ASN 141 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2g18 s PHE 142 N 6.36 3.79 -0.44 1.20 0.40 -1.26 -4.96 117.98 123.07 2g18 s PHE 142 Ca 0.58 1.77 0.26 0.00 -0.60 0.00 0.00 56.93 58.94 2g18 s PHE 142 Cb 0.07 -3.05 0.71 0.00 0.51 0.00 0.00 43.02 41.25 2g18 s PHE 142 CO 0.08 0.18 1.73 0.66 0.70 0.00 0.00 175.22 178.57 2g18 h SER 143 N 5.74 0.00 -2.00 1.36 4.64 -1.93 -3.40 113.55 117.95 2g18 h SER 143 Ca -0.43 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.38 2g18 h SER 143 Cb 1.21 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.90 2g18 h SER 143 CO 0.72 0.00 -1.16 1.67 -0.87 0.00 0.00 176.83 177.19 2g18 n GLN 144 N -2.77 0.92 -1.45 4.77 -0.06 -1.26 -5.11 117.38 112.42 2g18 n GLN 144 Ca 0.04 -3.35 -0.31 0.00 -2.00 0.00 0.00 57.00 51.38 2g18 n GLN 144 Cb 0.44 -1.55 0.07 0.00 -4.06 0.00 0.00 30.24 25.14 2g18 n GLN 144 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2g18 s PRO 145 N -2.01 2.52 0.15 3.69 0.04 -1.26 -1.13 135.00 137.00 2g18 s PRO 145 Ca 0.38 0.97 0.08 0.00 0.04 0.00 0.00 61.00 62.48 2g18 s PRO 145 Cb 0.29 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 2g18 s PRO 145 CO -0.09 -1.40 -0.19 1.03 0.04 0.00 0.00 177.00 176.39 2g18 s ARG 146 N -5.01 1.23 0.05 4.56 0.52 -0.17 -4.80 118.95 115.32 2g18 s ARG 146 Ca 0.60 -1.33 -0.23 0.00 -0.52 0.00 0.00 55.73 54.24 2g18 s ARG 146 Cb -0.15 -1.34 -0.06 0.00 0.52 0.00 0.00 34.95 33.92 2g18 s ARG 146 CO 0.55 0.28 0.69 -2.00 0.02 0.00 0.00 175.30 174.85 2g18 s GLU 147 N -2.54 4.42 0.55 3.54 2.12 -1.26 -4.79 118.70 120.74 2g18 s GLU 147 Ca 0.13 0.94 -0.19 0.00 0.36 0.00 0.00 54.97 56.21 2g18 s GLU 147 Cb -0.07 -3.33 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 2g18 s GLU 147 CO 0.06 0.38 1.10 -0.51 -0.54 0.00 0.00 175.26 175.75 2g18 s LEU 148 N -0.35 3.70 0.62 2.70 1.43 -1.26 -5.06 118.68 120.47 2g18 s LEU 148 Ca 0.35 2.05 -0.10 0.00 -1.03 0.00 0.00 54.13 55.40 2g18 s LEU 148 Cb -0.20 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.43 2g18 s LEU 148 CO 0.21 -1.16 1.01 -2.16 0.23 0.00 0.00 176.35 174.49 2g18 s PRO 149 N -3.46 3.36 0.42 1.29 0.05 -1.26 -4.92 135.00 130.47 2g18 s PRO 149 Ca 0.70 0.57 0.19 0.00 0.05 0.00 0.00 61.00 62.51 2g18 s PRO 149 Cb -0.21 -2.11 1.12 0.00 0.05 0.00 0.00 34.50 33.36 2g18 s PRO 149 CO 0.28 -0.66 1.81 1.49 0.05 0.00 0.00 177.00 179.98 2g18 h GLU 150 N -0.34 0.36 0.00 4.56 4.57 -2.06 0.86 114.58 122.54 2g18 h GLU 150 Ca -0.45 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2g18 h GLU 150 Cb 1.21 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 2g18 h GLU 150 CO 0.62 0.24 0.00 -2.67 -1.18 0.00 0.00 179.01 176.02 2g18 n TRP 151 N -4.54 0.00 0.40 0.92 4.27 -1.26 -3.89 117.44 113.34 2g18 n TRP 151 Ca 0.23 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.92 2g18 n TRP 151 Cb 0.82 0.00 0.22 0.00 -1.36 0.00 0.00 31.31 30.99 2g18 n TRP 151 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2g18 n GLY 152 N 0.43 1.35 0.00 -1.67 0.00 0.30 -3.53 105.19 102.07 2g18 n GLY 152 Ca 0.00 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.55 2g18 n GLY 152 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2g18 n ASN 153 N 0.96 0.00 0.15 1.61 0.23 -1.25 -1.92 115.26 115.04 2g18 n ASN 153 Ca 0.17 -0.28 0.13 0.00 -0.53 0.00 0.00 54.58 54.07 2g18 n ASN 153 Cb 0.42 -0.10 0.31 0.00 -2.08 0.00 0.00 39.78 38.33 2g18 n ASN 153 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 2g18 h ILE 154 N 0.00 0.00 -3.38 1.53 3.07 -1.91 -3.46 117.51 113.35 2g18 h ILE 154 Ca 0.00 -0.68 -0.55 0.00 1.55 0.00 0.00 64.86 65.19 2g18 h ILE 154 Cb 0.05 1.67 -0.03 0.00 -0.27 0.00 0.00 36.82 38.23 2g18 h ILE 154 CO 0.00 0.00 -0.11 -0.36 -1.05 0.00 0.00 178.15 176.63 2g18 s PHE 155 N -3.14 3.49 0.93 0.16 0.40 -0.81 -3.96 117.98 115.06 2g18 s PHE 155 Ca 0.09 0.94 -0.14 0.00 -0.60 0.00 0.00 56.93 57.22 2g18 s PHE 155 Cb 0.10 -2.29 0.15 0.00 0.51 0.00 0.00 43.02 41.48 2g18 s PHE 155 CO 0.63 0.34 1.19 -1.54 0.70 0.00 0.00 175.22 176.53 2g18 s SER 156 N -2.11 3.39 0.18 1.36 1.04 -1.26 -4.88 113.70 111.42 2g18 s SER 156 Ca 0.43 0.72 0.22 0.00 0.48 0.00 0.00 55.95 57.80 2g18 s SER 156 Cb -0.13 -1.11 0.88 0.00 0.10 0.00 0.00 66.02 65.77 2g18 s SER 156 CO 0.20 -2.60 1.66 0.47 0.98 0.00 0.00 173.24 173.95 2g18 n ASP 157 N -3.76 0.48 -0.47 7.02 8.00 -1.26 -2.30 116.55 124.26 2g18 n ASP 157 Ca 0.10 0.61 0.13 0.00 0.71 0.00 0.00 54.79 56.34 2g18 n ASP 157 Cb 0.60 -0.72 0.36 0.00 -0.02 0.00 0.00 41.12 41.34 2g18 n ASP 157 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2g18 n PHE 158 N -2.02 0.00 -1.66 1.24 3.01 -1.26 -4.97 117.46 111.80 2g18 n PHE 158 Ca 0.03 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.05 2g18 n PHE 158 Cb 0.23 -0.04 -0.01 0.00 -0.01 0.00 0.00 39.48 39.65 2g18 n PHE 158 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2g18 s ILE 160 N -0.82 2.40 -0.21 0.00 1.01 -0.23 -5.00 121.20 118.36 2g18 s ILE 160 Ca 0.60 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 2g18 s ILE 160 Cb -0.64 -2.01 0.07 0.00 0.01 0.00 0.00 42.46 39.90 2g18 s ILE 160 CO 0.58 0.52 0.09 0.12 0.00 0.00 0.00 174.94 176.26 2g18 s PHE 161 N 0.98 0.44 0.12 3.97 5.36 -1.26 -0.86 117.98 126.73 2g18 s PHE 161 Ca -0.02 -0.59 -0.02 0.00 -0.96 0.00 0.00 56.93 55.33 2g18 s PHE 161 Cb -0.15 -0.84 -0.03 0.00 -0.34 0.00 0.00 43.02 41.66 2g18 s PHE 161 CO -0.04 -0.61 0.08 0.14 -1.46 0.00 0.00 175.22 173.33 2g18 s VAL 162 N 2.06 0.11 -0.36 3.12 -7.23 -0.25 -1.00 120.40 116.85 2g18 s VAL 162 Ca 0.03 -1.81 -0.05 0.00 -1.81 0.00 0.00 61.98 58.34 2g18 s VAL 162 Cb -0.16 -1.94 0.06 0.00 0.56 0.00 0.00 36.38 34.90 2g18 s VAL 162 CO -0.15 -0.51 0.13 -0.60 -0.31 0.00 0.00 175.10 173.65 2g18 s ARG 163 N -4.02 2.47 0.01 4.82 3.52 -0.28 -0.72 118.95 124.75 2g18 s ARG 163 Ca 0.21 -1.36 -0.30 0.00 -0.13 0.00 0.00 55.73 54.14 2g18 s ARG 163 Cb 0.07 -3.49 -0.06 0.00 -1.56 0.00 0.00 34.95 29.91 2g18 s ARG 163 CO -0.00 -0.78 1.54 -2.14 -0.81 0.00 0.00 175.30 173.10 2g18 s PRO 164 N 1.33 4.23 -0.10 5.12 0.02 -1.26 -4.53 135.00 139.82 2g18 s PRO 164 Ca 0.00 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.16 2g18 s PRO 164 Cb -0.21 -3.67 -0.25 0.00 0.02 0.00 0.00 34.50 30.39 2g18 s PRO 164 CO 0.01 -0.69 0.45 -1.13 -0.33 0.00 0.00 177.00 175.31 2g18 n SER 165 N 5.86 1.61 -4.65 2.53 3.41 -1.26 -4.73 113.62 116.39 2g18 n SER 165 Ca 0.15 0.27 -0.26 0.00 -0.26 0.00 0.00 58.87 58.77 2g18 n SER 165 Cb 0.42 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.77 2g18 n SER 165 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2g18 s SER 166 N -6.64 4.09 0.49 4.04 1.04 -1.26 -5.02 113.70 110.44 2g18 s SER 166 Ca -0.16 -1.19 0.32 0.00 0.48 0.00 0.00 55.95 55.40 2g18 s SER 166 Cb 0.07 -0.45 1.42 0.00 0.10 0.00 0.00 66.02 67.16 2g18 s SER 166 CO 0.79 -0.42 1.96 -0.65 0.98 0.00 0.00 173.24 175.90 2g18 h PRO 167 N 1.69 0.00 -0.43 4.02 0.11 -1.99 -2.33 132.00 133.08 2g18 h PRO 167 Ca -0.43 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 2g18 h PRO 167 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2g18 h PRO 167 CO 0.74 0.00 -0.05 0.93 -0.21 0.00 0.00 178.00 179.41 2g18 h GLU 168 N 0.00 0.79 -0.58 1.05 5.08 -1.99 -2.40 114.58 116.53 2g18 h GLU 168 Ca 0.00 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 57.98 2g18 h GLU 168 Cb 0.38 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2g18 h GLU 168 CO 0.00 0.89 -0.02 0.93 -1.00 0.00 0.00 179.01 179.81 2g18 h GLU 169 N 0.63 1.03 -0.97 2.33 5.08 -1.90 -0.12 114.58 120.65 2g18 h GLU 169 Ca 0.12 -0.33 0.06 0.00 -1.00 0.00 0.00 59.36 58.20 2g18 h GLU 169 Cb 0.56 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 2g18 h GLU 169 CO 0.03 1.02 0.63 0.93 -1.00 0.00 0.00 179.01 180.62 2g18 h GLU 170 N 0.94 1.13 0.01 2.33 5.08 -1.39 0.14 114.58 122.82 2g18 h GLU 170 Ca 0.16 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.25 2g18 h GLU 170 Cb 0.57 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2g18 h GLU 170 CO 0.03 0.75 -0.91 0.00 -1.00 0.00 0.00 179.01 177.88 2g18 h ALA 171 N 1.46 0.48 -0.35 3.43 0.00 -1.09 -1.55 119.26 121.63 2g18 h ALA 171 Ca 0.41 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2g18 h ALA 171 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2g18 h ALA 171 CO -0.15 0.94 0.23 0.52 0.00 0.00 0.00 179.25 180.80 2g18 h MET 172 N 0.10 0.46 -0.01 0.00 2.86 -0.18 -0.98 114.93 117.18 2g18 h MET 172 Ca -0.05 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2g18 h MET 172 Cb 1.56 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 33.11 2g18 h MET 172 CO 0.14 0.31 0.00 0.35 1.06 0.00 0.00 176.91 178.77 2g18 h PHE 173 N 0.48 0.01 -0.91 -0.22 3.57 -0.68 -1.06 116.94 118.13 2g18 h PHE 173 Ca 0.13 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.71 2g18 h PHE 173 Cb -0.05 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.61 2g18 h PHE 173 CO -0.05 0.22 0.56 1.25 -2.23 0.00 0.00 178.31 178.06 2g18 h LEU 174 N -0.20 0.85 -0.77 0.59 5.85 -1.25 -1.02 115.31 119.35 2g18 h LEU 174 Ca 0.00 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2g18 h LEU 174 Cb 0.22 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2g18 h LEU 174 CO -0.00 0.51 0.27 1.23 -0.34 0.00 0.00 178.44 180.10 2g18 h GLY 175 N 0.96 1.27 1.03 3.75 0.00 -0.89 -2.08 103.07 107.12 2g18 h GLY 175 Ca 0.42 -0.73 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 2g18 h GLY 175 CO -0.21 0.68 -0.43 -0.09 0.00 0.00 0.00 176.54 176.49 2g18 h ARG 176 N 1.14 0.76 -0.82 4.80 9.65 -0.41 -1.89 114.38 127.61 2g18 h ARG 176 Ca 0.25 -0.46 0.09 0.00 -1.10 0.00 0.00 59.98 58.76 2g18 h ARG 176 Cb 0.27 0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 28.83 2g18 h ARG 176 CO -0.01 1.09 0.47 0.28 2.80 0.00 0.00 179.97 184.60 2g18 h VAL 177 N 0.50 0.93 -0.68 0.20 2.07 -1.14 -0.22 116.25 117.91 2g18 h VAL 177 Ca 0.02 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 2g18 h VAL 177 Cb 1.03 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2g18 h VAL 177 CO 0.10 0.15 0.13 -0.09 0.02 0.00 0.00 177.57 177.87 2g18 h ARG 178 N 0.81 1.10 -0.86 1.57 2.43 -1.12 -0.09 114.38 118.21 2g18 h ARG 178 Ca 0.39 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2g18 h ARG 178 Cb 0.33 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 2g18 h ARG 178 CO -0.23 0.99 0.43 0.93 -1.51 0.00 0.00 179.97 180.58 2g18 h GLU 179 N 1.03 1.23 -0.52 0.20 5.08 -0.67 -1.06 114.58 119.88 2g18 h GLU 179 Ca 0.21 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2g18 h GLU 179 Cb 0.41 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2g18 h GLU 179 CO 0.01 0.93 0.18 0.74 -1.00 0.00 0.00 179.01 179.88 2g18 h PHE 180 N 1.22 0.82 -0.61 4.33 -1.00 0.01 -1.45 116.94 120.26 2g18 h PHE 180 Ca 0.30 -0.07 -0.08 0.00 2.81 0.00 0.00 57.97 60.92 2g18 h PHE 180 Cb 0.10 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.39 2g18 h PHE 180 CO 0.01 0.69 0.05 -0.07 -1.61 0.00 0.00 178.31 177.38 2g18 h LEU 181 N 0.71 1.01 -0.60 1.54 3.38 -0.79 -0.79 115.31 119.76 2g18 h LEU 181 Ca 0.17 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 2g18 h LEU 181 Cb 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2g18 h LEU 181 CO -0.01 1.04 0.05 1.56 0.09 0.00 0.00 178.44 181.17 2g18 h GLN 182 N 0.94 1.03 -0.50 1.13 4.20 -0.82 0.27 115.11 121.36 2g18 h GLN 182 Ca 0.18 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 2g18 h GLN 182 Cb 0.49 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2g18 h GLN 182 CO 0.02 0.99 0.18 0.28 -0.67 0.00 0.00 178.83 179.63 2g18 h VAL 183 N 0.93 1.22 -0.69 -0.54 2.07 -1.11 -1.85 116.25 116.28 2g18 h VAL 183 Ca 0.18 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 2g18 h VAL 183 Cb 0.49 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2g18 h VAL 183 CO 0.02 0.27 0.15 -0.74 0.02 0.00 0.00 177.57 177.29 2g18 h HIS 184 N 0.67 1.17 -0.52 1.57 -0.00 -0.77 0.23 115.15 117.50 2g18 h HIS 184 Ca 0.16 -0.14 -0.06 0.00 -0.00 0.00 0.00 60.37 60.34 2g18 h HIS 184 Cb 0.23 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.29 2g18 h HIS 184 CO 0.01 0.95 0.11 0.00 -0.00 0.00 0.00 177.93 179.00 2g18 h GLN 186 N 0.73 0.67 -0.52 0.00 4.20 -1.08 -1.10 115.11 118.00 2g18 h GLN 186 Ca 0.16 -0.06 0.07 0.00 0.06 0.00 0.00 58.65 58.88 2g18 h GLN 186 Cb 0.37 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 2g18 h GLN 186 CO 0.01 0.48 0.20 0.78 -0.67 0.00 0.00 178.83 179.63 2g18 h GLY 187 N 0.66 0.71 1.03 3.46 0.00 -0.78 -1.93 103.07 106.21 2g18 h GLY 187 Ca 0.18 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 2g18 h GLY 187 CO -0.03 0.01 0.13 0.00 0.00 0.00 0.00 176.54 176.65 2g18 h ALA 188 N 1.34 0.80 -0.07 3.60 0.00 -0.57 -2.48 119.26 121.88 2g18 h ALA 188 Ca 0.25 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2g18 h ALA 188 Cb 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2g18 h ALA 188 CO -0.25 0.52 -0.50 0.82 0.00 0.00 0.00 179.25 179.84 2g18 h ILE 189 N 0.89 1.35 0.00 0.00 2.04 -0.88 -2.78 117.51 118.13 2g18 h ILE 189 Ca 0.19 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.30 2g18 h ILE 189 Cb 0.38 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2g18 h ILE 189 CO 0.01 0.51 0.00 0.00 0.00 0.00 0.00 178.15 178.67 2g18 h ALA 190 N 1.34 1.00 -2.80 1.87 0.00 -1.24 -3.47 119.26 115.95 2g18 h ALA 190 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 2g18 h ALA 190 Cb 0.94 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.75 2g18 h ALA 190 CO 0.07 0.00 0.47 0.00 0.00 0.00 0.00 179.25 179.80 2g18 s ALA 191 N -3.14 3.41 0.11 0.00 0.00 -0.94 -5.06 121.76 116.13 2g18 s ALA 191 Ca 0.09 0.89 0.05 0.00 0.00 0.00 0.00 51.96 53.00 2g18 s ALA 191 Cb 0.11 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2g18 s ALA 191 CO 0.60 -0.15 0.01 -1.12 0.00 0.00 0.00 175.76 175.11 2g18 s SER 192 N -0.89 5.04 0.59 0.00 0.01 -1.26 -5.05 113.70 112.14 2g18 s SER 192 Ca 0.44 -0.21 -0.19 0.00 1.31 0.00 0.00 55.95 57.31 2g18 s SER 192 Cb -0.32 -1.19 -0.05 0.00 0.21 0.00 0.00 66.02 64.66 2g18 s SER 192 CO 0.41 0.15 0.93 -2.65 0.41 0.00 0.00 173.24 172.49 2g18 n PRO 193 N 0.35 0.89 -2.76 12.44 -0.02 -1.26 -4.63 135.00 140.01 2g18 n PRO 193 Ca -0.10 0.34 -0.23 0.00 -2.02 0.00 0.00 63.50 61.49 2g18 n PRO 193 Cb 0.53 -2.12 0.03 0.00 -0.02 0.00 0.00 33.50 31.91 2g18 n PRO 193 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2g18 s VAL 194 N -1.52 3.41 1.04 -1.45 -7.23 0.40 -5.01 120.40 110.04 2g18 s VAL 194 Ca 0.74 -0.49 -0.11 0.00 -1.81 0.00 0.00 61.98 60.31 2g18 s VAL 194 Cb -0.43 -3.28 0.21 0.00 0.56 0.00 0.00 36.38 33.44 2g18 s VAL 194 CO 0.48 -0.21 1.09 -0.94 -0.31 0.00 0.00 175.10 175.21 2g18 s SER 195 N -4.31 1.95 0.49 4.85 1.04 -1.26 -4.81 113.70 111.65 2g18 s SER 195 Ca 0.53 1.89 0.21 0.00 0.48 0.00 0.00 55.95 59.06 2g18 s SER 195 Cb -0.10 -2.46 1.25 0.00 0.10 0.00 0.00 66.02 64.81 2g18 s SER 195 CO 0.39 -3.66 2.04 0.00 0.98 0.00 0.00 173.24 173.00 2g18 h ALA 196 N -2.25 1.51 0.74 5.32 0.00 -1.98 -1.65 119.26 120.94 2g18 h ALA 196 Ca -0.52 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 2g18 h ALA 196 Cb 1.30 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.07 2g18 h ALA 196 CO 0.45 0.18 -0.35 1.49 0.00 0.00 0.00 179.25 181.02 2g18 h GLU 197 N 0.00 -0.95 -0.75 0.00 4.81 -2.02 -2.83 114.58 112.84 2g18 h GLU 197 Ca -0.00 0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.41 2g18 h GLU 197 Cb 0.30 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 2g18 h GLU 197 CO 0.02 -0.63 0.49 1.96 -0.73 0.00 0.00 179.01 180.12 2g18 h GLN 198 N -1.24 0.56 -0.63 1.92 4.20 -1.89 -2.05 115.11 115.98 2g18 h GLN 198 Ca -0.10 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 2g18 h GLN 198 Cb 0.77 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 2g18 h GLN 198 CO 0.17 0.37 0.37 -0.22 -0.67 0.00 0.00 178.83 178.84 2g18 h LYS 199 N 0.58 0.85 -0.28 1.46 3.64 -1.22 -1.64 116.57 119.95 2g18 h LYS 199 Ca 0.35 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.70 2g18 h LYS 199 Cb 0.58 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 2g18 h LYS 199 CO -0.13 0.60 0.02 1.96 -2.27 0.00 0.00 179.45 179.64 2g18 h GLN 200 N 0.86 0.11 -0.54 1.90 1.08 -1.12 0.12 115.11 117.54 2g18 h GLN 200 Ca 0.23 -0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.30 2g18 h GLN 200 Cb -0.02 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 2g18 h GLN 200 CO -0.04 0.07 -0.11 1.96 -0.95 0.00 0.00 178.83 179.76 2g18 h GLN 201 N 0.12 1.02 0.05 1.46 4.20 -1.49 -0.90 115.11 119.57 2g18 h GLN 201 Ca 0.13 -0.38 -0.00 0.00 0.06 0.00 0.00 58.65 58.46 2g18 h GLN 201 Cb 0.16 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2g18 h GLN 201 CO -0.21 1.07 -0.02 0.82 -0.67 0.00 0.00 178.83 179.82 2g18 h ILE 202 N 0.90 1.07 -0.93 2.54 2.04 -1.10 0.24 117.51 122.26 2g18 h ILE 202 Ca 0.14 -0.36 0.14 0.00 1.00 0.00 0.00 64.86 65.78 2g18 h ILE 202 Cb 0.68 1.30 -0.08 0.00 -0.74 0.00 0.00 36.82 37.99 2g18 h ILE 202 CO 0.05 0.09 0.59 0.25 0.00 0.00 0.00 178.15 179.13 2g18 h LEU 203 N -0.22 0.74 -0.40 1.44 5.85 -0.62 -1.57 115.31 120.53 2g18 h LEU 203 Ca -0.01 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2g18 h LEU 203 Cb 0.20 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2g18 h LEU 203 CO 0.01 0.37 -0.07 0.00 -0.34 0.00 0.00 178.44 178.41 2g18 h ALA 204 N 1.58 0.55 -0.07 1.25 0.00 -0.43 -2.38 119.26 119.77 2g18 h ALA 204 Ca 0.47 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2g18 h ALA 204 Cb 0.67 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2g18 h ALA 204 CO -0.23 0.41 -0.13 0.78 0.00 0.00 0.00 179.25 180.07 2g18 h GLY 205 N 0.58 -0.09 0.75 0.00 0.00 0.21 0.24 103.07 104.75 2g18 h GLY 205 Ca 0.11 0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.62 2g18 h GLY 205 CO 0.04 -0.13 0.09 1.46 0.00 0.00 0.00 176.54 178.00 2g18 h GLN 206 N -0.18 0.21 -0.43 4.80 4.20 -1.36 -1.25 115.11 121.10 2g18 h GLN 206 Ca 0.07 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.83 2g18 h GLN 206 Cb 0.28 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 2g18 h GLN 206 CO -0.18 0.14 0.13 1.25 -0.67 0.00 0.00 178.83 179.50 2g18 h HIS 207 N 0.22 0.22 -0.06 2.96 2.76 -1.05 -0.13 115.15 120.07 2g18 h HIS 207 Ca 0.13 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.36 2g18 h HIS 207 Cb 0.10 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 28.99 2g18 h HIS 207 CO -0.14 0.06 -0.15 -0.97 -1.30 0.00 0.00 177.93 175.43 2g18 h ASN 208 N 0.28 -0.47 -0.71 3.26 -0.73 -0.70 -1.32 115.58 115.20 2g18 h ASN 208 Ca 0.21 0.08 0.12 0.00 1.87 0.00 0.00 56.30 58.57 2g18 h ASN 208 Cb 0.22 0.21 -0.08 0.00 0.27 0.00 0.00 38.32 38.94 2g18 h ASN 208 CO -0.23 -0.21 0.29 0.22 -0.37 0.00 0.00 177.43 177.13 2g18 h TYR 209 N -0.22 0.51 0.00 0.67 3.20 -0.61 -1.17 116.97 119.35 2g18 h TYR 209 Ca 0.07 0.03 -0.23 0.00 3.14 0.00 0.00 58.73 61.75 2g18 h TYR 209 Cb 0.32 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2g18 h TYR 209 CO -0.24 0.11 -0.95 0.00 -1.64 0.00 0.00 178.16 175.44 2g18 h SER 211 N 0.23 0.76 -0.63 0.00 4.64 -0.96 -1.21 113.55 116.37 2g18 h SER 211 Ca -0.08 -0.35 -0.06 0.00 -0.47 0.00 0.00 61.79 60.83 2g18 h SER 211 Cb 1.59 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 63.44 2g18 h SER 211 CO 0.16 1.08 0.15 0.11 -0.87 0.00 0.00 176.83 177.47 2g18 h LYS 212 N 0.58 1.02 -0.58 4.77 1.79 -1.21 -1.33 116.57 121.60 2g18 h LYS 212 Ca 0.04 -0.24 -0.11 0.00 -2.18 0.00 0.00 60.65 58.16 2g18 h LYS 212 Cb 0.96 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.46 2g18 h LYS 212 CO 0.09 0.92 -0.06 1.96 -1.08 0.00 0.00 179.45 181.28 2g18 h GLN 213 N 0.93 1.06 -0.12 3.15 1.08 -1.30 -2.43 115.11 117.48 2g18 h GLN 213 Ca 0.20 -0.36 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2g18 h GLN 213 Cb 0.36 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2g18 h GLN 213 CO 0.00 1.06 0.08 1.96 -0.95 0.00 0.00 178.83 180.98 2g18 h GLN 214 N 0.95 0.16 0.00 1.46 4.20 -1.07 0.83 115.11 121.63 2g18 h GLN 214 Ca 0.16 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 2g18 h GLN 214 Cb 0.62 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 2g18 h GLN 214 CO 0.04 0.10 -0.04 1.96 -0.67 0.00 0.00 178.83 180.22 2g18 h GLN 215 N 0.16 0.00 0.00 1.46 4.20 -1.06 -3.35 115.11 116.52 2g18 h GLN 215 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2g18 h GLN 215 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2g18 h GLN 215 CO -0.01 0.04 -0.65 0.09 -0.67 0.00 0.00 178.83 177.63 2g18 n ASN 216 N -3.62 3.25 -4.68 1.46 3.02 -0.93 -5.04 115.26 108.72 2g18 n ASN 216 Ca -0.02 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.08 2g18 n ASN 216 Cb 0.14 0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 39.86 2g18 n ASN 216 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2g18 n ASP 217 N -1.10 2.80 0.05 6.41 -0.08 0.26 -4.90 116.55 119.99 2g18 n ASP 217 Ca 0.00 1.15 0.13 0.00 -1.51 0.00 0.00 54.79 54.56 2g18 n ASP 217 Cb 0.08 -1.44 0.36 0.00 2.34 0.00 0.00 41.12 42.46 2g18 n ASP 217 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2g18 n LYS 218 N 1.90 0.17 0.30 -0.67 5.02 -1.26 -3.46 118.16 120.16 2g18 n LYS 218 Ca 0.11 0.10 0.19 0.00 -2.02 0.00 0.00 58.31 56.69 2g18 n LYS 218 Cb 0.32 -1.66 0.90 0.00 -0.02 0.00 0.00 35.03 34.57 2g18 n LYS 218 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2g18 h THR 219 N 0.00 0.00 -0.58 -0.18 1.35 -1.99 -2.91 112.91 108.61 2g18 h THR 219 Ca 0.00 -0.29 0.12 0.00 -0.55 0.00 0.00 66.41 65.69 2g18 h THR 219 Cb 0.65 1.27 -0.10 0.00 -1.73 0.00 0.00 68.15 68.24 2g18 h THR 219 CO 0.00 0.00 -0.08 -0.09 -0.25 0.00 0.00 175.52 175.10 2g18 h ARG 220 N 0.00 0.05 -0.36 4.72 2.43 -1.95 -0.99 114.38 118.28 2g18 h ARG 220 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2g18 h ARG 220 Cb 0.29 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2g18 h ARG 220 CO 0.00 0.03 0.23 -0.09 -1.51 0.00 0.00 179.97 178.63 2g18 h ARG 221 N 0.05 0.48 -0.55 0.20 2.43 -1.79 0.25 114.38 115.45 2g18 h ARG 221 Ca 0.29 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.47 2g18 h ARG 221 Cb 0.45 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 2g18 h ARG 221 CO -0.55 0.34 0.29 0.28 -1.51 0.00 0.00 179.97 178.82 2g18 h VAL 222 N 0.48 0.96 -0.21 0.20 2.07 -1.56 -2.04 116.25 116.16 2g18 h VAL 222 Ca 0.13 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.31 2g18 h VAL 222 Cb -0.03 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2g18 h VAL 222 CO -0.03 0.10 -0.49 -0.07 0.02 0.00 0.00 177.57 177.11 2g18 h LEU 223 N 0.56 0.61 -0.29 2.57 3.38 -0.07 -2.04 115.31 120.04 2g18 h LEU 223 Ca 0.24 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2g18 h LEU 223 Cb 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2g18 h LEU 223 CO -0.16 1.00 0.11 -0.33 0.09 0.00 0.00 178.44 179.14 2g18 h GLU 224 N 0.45 0.23 -0.04 1.13 5.08 -0.28 0.48 114.58 121.62 2g18 h GLU 224 Ca 0.02 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2g18 h GLU 224 Cb 1.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2g18 h GLU 224 CO 0.09 0.16 -0.24 0.87 -1.00 0.00 0.00 179.01 178.89 2g18 h LYS 225 N 0.24 0.07 0.24 2.33 1.57 -1.22 0.33 116.57 120.13 2g18 h LYS 225 Ca 0.13 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.55 2g18 h LYS 225 Cb 0.08 -0.01 0.03 0.00 0.08 0.00 0.00 32.23 32.42 2g18 h LYS 225 CO -0.12 0.31 -1.49 0.00 -0.57 0.00 0.00 179.45 177.58 2g18 h ALA 226 N 1.69 -0.12 0.00 3.86 0.00 -0.88 -3.42 119.26 120.39 2g18 h ALA 226 Ca 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2g18 h ALA 226 Cb 0.47 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2g18 h ALA 226 CO 0.03 0.72 0.00 1.19 0.00 0.00 0.00 179.25 181.20 2g18 n PHE 227 N -3.72 0.00 0.00 0.00 3.01 0.11 -4.76 117.46 112.10 2g18 n PHE 227 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 2g18 n PHE 227 Cb 1.09 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.56 2g18 n PHE 227 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2g18 n GLY 228 N 0.06 1.98 0.19 1.37 0.00 0.12 -4.59 105.19 104.32 2g18 n GLY 228 Ca 0.00 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 2g18 n GLY 228 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2g18 h VAL 229 N 0.00 1.20 -0.33 1.61 2.07 -1.89 -2.42 116.25 116.49 2g18 h VAL 229 Ca 0.00 -0.61 -0.16 0.00 0.82 0.00 0.00 66.70 66.75 2g18 h VAL 229 Cb 0.00 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2g18 h VAL 229 CO 0.00 0.22 -0.41 0.44 0.02 0.00 0.00 177.57 177.84 2g18 h ASP 230 N 0.48 0.94 -0.32 0.57 5.19 -1.96 -0.08 116.42 121.23 2g18 h ASP 230 Ca 0.13 -0.49 0.02 0.00 -0.62 0.00 0.00 57.03 56.07 2g18 h ASP 230 Cb 0.20 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 2g18 h ASP 230 CO -0.01 1.24 0.17 -0.25 -3.12 0.00 0.00 179.24 177.27 2g18 h TRP 231 N 0.65 0.32 -0.78 4.55 7.01 -1.80 0.20 115.95 126.10 2g18 h TRP 231 Ca 0.04 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 2g18 h TRP 231 Cb 1.01 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.93 2g18 h TRP 231 CO 0.07 0.18 0.33 0.00 -2.79 0.00 0.00 178.44 176.24 2g18 h ALA 232 N 1.16 1.11 -0.44 2.65 0.00 -1.32 -0.71 119.26 121.70 2g18 h ALA 232 Ca 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2g18 h ALA 232 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2g18 h ALA 232 CO -0.08 0.65 0.21 1.49 0.00 0.00 0.00 179.25 181.51 2g18 h GLU 233 N 1.13 0.64 -0.34 0.00 4.57 -0.50 -1.14 114.58 118.95 2g18 h GLU 233 Ca 0.26 -0.10 -0.09 0.00 -1.18 0.00 0.00 59.36 58.25 2g18 h GLU 233 Cb 0.18 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 2g18 h GLU 233 CO -0.03 0.56 -0.18 -0.97 -1.18 0.00 0.00 179.01 177.22 2g18 h ASN 234 N 0.57 0.61 -0.27 1.04 -0.73 -0.64 -2.14 115.58 114.02 2g18 h ASN 234 Ca 0.15 -0.19 -0.11 0.00 1.87 0.00 0.00 56.30 58.02 2g18 h ASN 234 Cb 0.13 -0.17 -0.00 0.00 0.27 0.00 0.00 38.32 38.55 2g18 h ASN 234 CO -0.02 0.80 -0.26 0.22 -0.37 0.00 0.00 177.43 177.80 2g18 h TYR 235 N 0.56 0.79 -0.79 0.67 3.20 -0.92 -0.51 116.97 119.96 2g18 h TYR 235 Ca 0.09 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.72 2g18 h TYR 235 Cb 0.62 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 2g18 h TYR 235 CO 0.03 0.96 0.47 0.52 -1.64 0.00 0.00 178.16 178.50 2g18 h MET 236 N 0.39 1.08 0.00 1.82 2.86 -0.99 -1.04 114.93 119.04 2g18 h MET 236 Ca 0.04 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2g18 h MET 236 Cb 0.82 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.26 2g18 h MET 236 CO 0.07 0.76 -1.09 0.25 1.06 0.00 0.00 176.91 177.96 2g18 n THR 237 N -4.37 0.37 0.04 2.22 -2.24 -0.82 -1.38 114.28 108.10 2g18 n THR 237 Ca 0.08 -0.41 0.01 0.00 -2.27 0.00 0.00 64.05 61.46 2g18 n THR 237 Cb 0.07 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.18 2g18 n THR 237 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2g18 n THR 238 N -2.33 0.00 -0.04 4.28 -2.24 -0.21 -3.72 114.28 110.01 2g18 n THR 238 Ca 0.00 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 2g18 n THR 238 Cb 0.50 0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 2g18 n THR 238 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2g18 n VAL 239 N -1.42 0.64 -0.06 2.28 0.31 -0.46 -4.67 118.33 114.94 2g18 n VAL 239 Ca -0.00 -0.08 -0.16 0.00 -0.01 0.00 0.00 64.34 64.09 2g18 n VAL 239 Cb 0.06 -1.66 -0.13 0.00 -0.91 0.00 0.00 33.84 31.20 2g18 n VAL 239 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2g18 h LEU 240 N -0.35 0.08 -5.52 7.52 3.38 -1.49 -3.42 115.31 115.51 2g18 h LEU 240 Ca -0.22 -0.93 -0.47 0.00 0.09 0.00 0.00 57.88 56.35 2g18 h LEU 240 Cb 1.11 -0.02 -0.40 0.00 0.09 0.00 0.00 40.66 41.43 2g18 h LEU 240 CO -0.13 1.13 -1.09 0.49 0.09 0.00 0.00 178.44 178.93 2g18 n PHE 241 N -4.50 1.20 -2.24 1.13 3.72 -0.48 -5.00 117.46 111.29 2g18 n PHE 241 Ca -0.14 -3.51 -0.41 0.00 -0.05 0.00 0.00 57.45 53.35 2g18 n PHE 241 Cb 0.56 -0.39 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 2g18 n PHE 241 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2g18 s ASP 242 N -2.84 6.95 0.32 4.37 -4.77 -1.24 -4.71 116.67 114.75 2g18 s ASP 242 Ca 0.38 2.50 -0.29 0.00 -3.30 0.00 0.00 52.55 51.85 2g18 s ASP 242 Cb 0.37 -2.63 -0.10 0.00 -1.09 0.00 0.00 42.92 39.47 2g18 s ASP 242 CO -0.06 -0.42 1.35 -0.76 0.70 0.00 0.00 175.17 175.98 2g18 s LEU 243 N -1.33 4.41 0.21 2.11 1.43 -1.26 -4.93 118.68 119.31 2g18 s LEU 243 Ca 0.49 2.72 -0.11 0.00 -1.03 0.00 0.00 54.13 56.20 2g18 s LEU 243 Cb -0.37 -3.65 0.27 0.00 0.03 0.00 0.00 46.19 42.47 2g18 s LEU 243 CO 0.46 -0.60 1.67 1.55 0.23 0.00 0.00 176.35 179.67 2g18 h PRO 244 N 3.60 0.13 0.00 1.29 0.13 -1.92 -3.52 132.00 131.71 2g18 h PRO 244 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2g18 h PRO 244 Cb 1.23 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2g18 h PRO 244 CO 0.67 0.08 0.00 0.39 -0.23 0.00 0.00 178.00 178.92