#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9m s GLN 2 N 0.00 4.17 -0.08 -0.41 0.74 -1.26 -5.25 119.66 117.57 1b9m s GLN 2 Ca 0.00 -0.03 -0.11 0.00 0.05 0.00 0.00 55.36 55.27 1b9m s GLN 2 Cb 0.00 -3.40 0.03 0.00 1.10 0.00 0.00 33.01 30.73 1b9m s GLN 2 CO 0.00 0.31 0.29 0.00 -0.55 0.00 0.00 175.29 175.34 1b9m s ALA 3 N 0.29 -0.73 0.08 1.58 0.00 -1.26 -5.17 121.76 116.55 1b9m s ALA 3 Ca 0.13 0.64 -0.15 0.00 0.00 0.00 0.00 51.96 52.58 1b9m s ALA 3 Cb -0.12 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.73 1b9m s ALA 3 CO 0.02 -0.18 0.37 -2.00 0.00 0.00 0.00 175.76 173.97 1b9m s GLU 4 N -0.35 0.96 -0.09 0.00 2.12 -1.26 -4.93 118.70 115.15 1b9m s GLU 4 Ca -0.05 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 54.71 1b9m s GLU 4 Cb -0.03 0.42 0.01 0.00 0.26 0.00 0.00 34.13 34.79 1b9m s GLU 4 CO 0.02 -0.34 -0.14 0.42 -0.54 0.00 0.00 175.26 174.67 1b9m s ILE 5 N -3.19 1.32 -0.05 -3.70 1.01 -1.26 -5.13 121.20 110.20 1b9m s ILE 5 Ca -0.01 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1b9m s ILE 5 Cb 0.01 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1b9m s ILE 5 CO -0.07 0.40 -0.06 -0.76 0.00 0.00 0.00 174.94 174.45 1b9m s LEU 6 N 0.81 3.22 -0.08 2.97 1.43 -1.26 -4.94 118.68 120.83 1b9m s LEU 6 Ca -0.11 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1b9m s LEU 6 Cb -0.15 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1b9m s LEU 6 CO 0.02 0.35 -0.19 -0.22 0.23 0.00 0.00 176.35 176.53 1b9m s LEU 7 N -0.95 1.92 -0.04 1.79 2.96 -1.26 -5.09 118.68 118.00 1b9m s LEU 7 Ca 0.14 -0.45 0.07 0.00 -0.22 0.00 0.00 54.13 53.66 1b9m s LEU 7 Cb -0.11 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.40 1b9m s LEU 7 CO 0.03 0.12 -0.25 -0.89 -1.32 0.00 0.00 176.35 174.04 1b9m s THR 8 N 0.41 2.13 -0.09 3.68 2.01 -1.26 -3.92 115.64 118.59 1b9m s THR 8 Ca -0.16 -1.06 0.03 0.00 0.31 0.00 0.00 61.69 60.81 1b9m s THR 8 Cb -0.17 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.57 1b9m s THR 8 CO 0.06 0.57 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.63 1b9m s LEU 9 N -0.37 2.50 0.07 4.42 1.43 0.41 -4.98 118.68 122.17 1b9m s LEU 9 Ca 0.03 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 52.84 1b9m s LEU 9 Cb -0.12 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1b9m s LEU 9 CO 0.02 0.22 -0.21 -0.54 0.23 0.00 0.00 176.35 176.07 1b9m s LYS 10 N -0.01 1.86 -0.02 1.70 1.02 -1.26 -1.17 119.74 121.86 1b9m s LYS 10 Ca -0.05 -1.10 0.02 0.00 0.02 0.00 0.00 55.97 54.85 1b9m s LYS 10 Cb -0.15 -2.09 0.01 0.00 -0.52 0.00 0.00 37.83 35.08 1b9m s LYS 10 CO 0.05 0.51 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.41 1b9m s LEU 11 N -1.65 1.70 -1.47 3.17 1.43 0.33 -4.82 118.68 117.37 1b9m s LEU 11 Ca 0.15 -0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 53.04 1b9m s LEU 11 Cb -0.10 -0.41 0.02 0.00 0.03 0.00 0.00 46.19 45.73 1b9m s LEU 11 CO 0.06 0.02 0.85 0.00 0.23 0.00 0.00 176.35 177.52 1b9m n GLN 12 N 3.43 -6.03 -1.89 1.70 6.02 -1.26 -0.89 117.38 118.46 1b9m n GLN 12 Ca -0.19 0.83 -0.21 0.00 -0.01 0.00 0.00 57.00 57.42 1b9m n GLN 12 Cb 0.54 -5.76 -0.06 0.00 1.02 0.00 0.00 30.24 25.98 1b9m n GLN 12 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1b9m n GLN 13 N -4.45 -1.54 -4.32 -1.09 6.02 -1.26 -4.97 117.38 105.77 1b9m n GLN 13 Ca -0.05 1.16 -0.17 0.00 -0.01 0.00 0.00 57.00 57.93 1b9m n GLN 13 Cb 0.58 -5.65 -0.10 0.00 1.02 0.00 0.00 30.24 26.10 1b9m n GLN 13 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1b9m s LYS 14 N -4.23 1.26 0.05 -1.09 1.02 -0.07 -5.11 119.74 111.58 1b9m s LYS 14 Ca 0.00 -1.57 -0.31 0.00 0.02 0.00 0.00 55.97 54.12 1b9m s LYS 14 Cb 0.00 -0.94 -0.08 0.00 -0.52 0.00 0.00 37.83 36.29 1b9m s LYS 14 CO 0.00 0.12 1.65 -1.17 -0.92 0.00 0.00 175.35 175.04 1b9m s LEU 15 N -3.28 4.36 -0.09 3.17 2.96 -1.26 -0.51 118.68 124.03 1b9m s LEU 15 Ca 0.22 2.45 -0.08 0.00 -0.22 0.00 0.00 54.13 56.50 1b9m s LEU 15 Cb 0.01 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 1b9m s LEU 15 CO 0.05 -0.89 -0.17 0.33 -1.32 0.00 0.00 176.35 174.35 1b9m n PHE 16 N 5.79 0.00 -3.98 5.38 7.35 -0.31 -4.84 117.46 126.84 1b9m n PHE 16 Ca 0.16 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.74 1b9m n PHE 16 Cb 0.41 -0.38 -0.12 0.00 0.35 0.00 0.00 39.48 39.74 1b9m n PHE 16 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1b9m s ALA 17 N -2.33 0.20 0.30 3.13 0.00 -0.65 -4.98 121.76 117.43 1b9m s ALA 17 Ca -0.17 -0.48 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 1b9m s ALA 17 Cb 0.05 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.27 1b9m s ALA 17 CO 0.22 -0.09 0.60 0.16 0.00 0.00 0.00 175.76 176.66 1b9m s ASP 18 N -1.11 0.06 0.33 0.00 1.47 -1.26 -0.44 116.67 115.71 1b9m s ASP 18 Ca -0.11 -0.99 0.05 0.00 1.18 0.00 0.00 52.55 52.68 1b9m s ASP 18 Cb -0.08 0.69 0.70 0.00 -0.34 0.00 0.00 42.92 43.89 1b9m s ASP 18 CO -0.00 -1.33 1.88 -0.65 0.68 0.00 0.00 175.17 175.75 1b9m h PRO 19 N 2.12 0.80 -0.62 2.11 0.11 -1.99 -1.56 132.00 132.96 1b9m h PRO 19 Ca -0.26 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.71 1b9m h PRO 19 Cb 1.25 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1b9m h PRO 19 CO 0.34 0.53 0.02 -0.09 -0.21 0.00 0.00 178.00 178.59 1b9m h ARG 20 N 0.83 1.08 -0.25 1.05 9.65 -1.96 -0.09 114.38 124.69 1b9m h ARG 20 Ca 0.43 -0.33 -0.14 0.00 -1.10 0.00 0.00 59.98 58.83 1b9m h ARG 20 Cb 0.52 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 1b9m h ARG 20 CO -0.19 1.04 -0.44 0.00 2.80 0.00 0.00 179.97 183.18 1b9m h ARG 21 N 0.99 0.63 -0.60 0.20 3.08 -1.79 -1.50 114.38 115.38 1b9m h ARG 21 Ca 0.18 -0.34 -0.10 0.00 0.07 0.00 0.00 59.98 59.79 1b9m h ARG 21 Cb 0.54 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1b9m h ARG 21 CO 0.03 0.94 -0.02 0.82 -1.07 0.00 0.00 179.97 180.67 1b9m h ILE 22 N 0.51 1.27 -0.42 2.04 1.08 -1.15 -1.40 117.51 119.44 1b9m h ILE 22 Ca 0.04 -1.18 0.05 0.00 -0.39 0.00 0.00 64.86 63.37 1b9m h ILE 22 Cb 0.97 0.82 -0.05 0.00 -3.07 0.00 0.00 36.82 35.49 1b9m h ILE 22 CO 0.09 0.43 0.15 -1.28 -0.69 0.00 0.00 178.15 176.85 1b9m h SER 23 N 0.98 0.17 -0.28 1.72 0.87 -0.79 -0.82 113.55 115.40 1b9m h SER 23 Ca 0.17 0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.83 1b9m h SER 23 Cb 0.59 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.52 1b9m h SER 23 CO 0.04 0.13 -0.08 0.25 -0.53 0.00 0.00 176.83 176.63 1b9m h LEU 24 N 0.32 -0.30 -0.45 2.23 5.85 -0.91 0.73 115.31 122.78 1b9m h LEU 24 Ca 0.20 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.04 1b9m h LEU 24 Cb 0.18 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1b9m h LEU 24 CO -0.19 -0.11 0.23 -0.07 -0.34 0.00 0.00 178.44 177.96 1b9m h LEU 25 N -0.02 0.35 -0.79 2.25 3.38 -0.63 0.11 115.31 119.95 1b9m h LEU 25 Ca 0.14 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1b9m h LEU 25 Cb 0.23 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1b9m h LEU 25 CO -0.30 0.25 0.37 0.11 0.09 0.00 0.00 178.44 178.95 1b9m h LYS 26 N 0.47 1.14 -0.15 1.13 1.57 -0.76 -0.69 116.57 119.28 1b9m h LYS 26 Ca 0.19 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 1b9m h LYS 26 Cb 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1b9m h LYS 26 CO -0.13 0.89 -0.40 0.45 -0.57 0.00 0.00 179.45 179.69 1b9m h HIS 27 N 1.12 0.38 -0.24 -1.35 3.86 -0.22 -1.89 115.15 116.81 1b9m h HIS 27 Ca 0.27 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 1b9m h HIS 27 Cb 0.14 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1b9m h HIS 27 CO 0.01 0.68 0.09 0.82 0.86 0.00 0.00 177.93 180.39 1b9m h ILE 28 N 0.27 1.18 -0.42 2.45 2.04 -0.27 -1.28 117.51 121.48 1b9m h ILE 28 Ca 0.03 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.37 1b9m h ILE 28 Cb 0.83 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1b9m h ILE 28 CO 0.07 0.18 0.20 0.00 0.00 0.00 0.00 178.15 178.60 1b9m h ALA 29 N 0.93 0.52 -0.39 1.87 0.00 -0.92 0.82 119.26 122.08 1b9m h ALA 29 Ca 0.08 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1b9m h ALA 29 Cb 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1b9m h ALA 29 CO -0.01 -0.16 -0.10 -0.07 0.00 0.00 0.00 179.25 178.91 1b9m h LEU 30 N 0.41 0.77 0.00 0.00 3.38 -1.21 -3.32 115.31 115.34 1b9m h LEU 30 Ca 0.18 -0.37 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 1b9m h LEU 30 Cb 0.10 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1b9m h LEU 30 CO -0.13 0.96 -1.16 0.77 0.09 0.00 0.00 178.44 178.96 1b9m h SER 31 N 0.56 0.00 0.00 -0.43 4.64 -1.16 -3.48 113.55 113.69 1b9m h SER 31 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1b9m h SER 31 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1b9m h SER 31 CO 0.04 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 1b9m n GLY 32 N 1.35 0.44 3.36 -0.77 0.00 0.27 -4.98 105.19 104.87 1b9m n GLY 32 Ca -0.06 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 1b9m n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b9m s SER 33 N -2.65 -0.41 0.10 1.61 1.04 -1.22 -0.03 113.70 112.13 1b9m s SER 33 Ca 0.00 0.52 -0.17 0.00 0.48 0.00 0.00 55.95 56.78 1b9m s SER 33 Cb 0.00 0.57 -0.06 0.00 0.10 0.00 0.00 66.02 66.63 1b9m s SER 33 CO 0.00 -0.41 1.53 0.40 0.98 0.00 0.00 173.24 175.74 1b9m h ILE 34 N 3.77 1.26 -0.46 -1.02 2.04 -1.94 0.72 117.51 121.88 1b9m h ILE 34 Ca -0.28 -0.95 -0.09 0.00 1.00 0.00 0.00 64.86 64.54 1b9m h ILE 34 Cb 1.17 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1b9m h ILE 34 CO 0.34 0.31 -0.04 0.77 0.00 0.00 0.00 178.15 179.52 1b9m h SER 35 N 0.32 0.84 -0.01 1.72 4.64 -1.96 0.14 113.55 119.24 1b9m h SER 35 Ca 0.08 -0.33 -0.18 0.00 -0.47 0.00 0.00 61.79 60.89 1b9m h SER 35 Cb 0.45 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1b9m h SER 35 CO 0.02 0.97 -0.62 -0.61 -0.87 0.00 0.00 176.83 175.72 1b9m h GLN 36 N 0.69 0.62 -0.88 4.77 5.75 -1.96 -2.11 115.11 122.00 1b9m h GLN 36 Ca 0.13 -0.43 0.03 0.00 -0.15 0.00 0.00 58.65 58.22 1b9m h GLN 36 Cb 0.57 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.13 1b9m h GLN 36 CO 0.03 1.05 0.57 0.78 -2.65 0.00 0.00 178.83 178.62 1b9m h GLY 37 N 0.96 1.27 0.91 2.39 0.00 -0.61 0.43 103.07 108.43 1b9m h GLY 37 Ca -0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1b9m h GLY 37 CO 0.12 0.39 0.08 0.00 0.00 0.00 0.00 176.54 177.13 1b9m h ALA 38 N 1.35 0.46 -0.16 3.60 0.00 -0.54 -0.42 119.26 123.55 1b9m h ALA 38 Ca 0.34 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1b9m h ALA 38 Cb -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1b9m h ALA 38 CO -0.11 0.13 0.08 0.87 0.00 0.00 0.00 179.25 180.22 1b9m h LYS 39 N 0.41 0.17 -0.27 0.00 1.57 -0.75 -1.17 116.57 116.53 1b9m h LYS 39 Ca 0.11 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1b9m h LYS 39 Cb 0.31 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1b9m h LYS 39 CO 0.00 0.11 0.05 -0.44 -0.57 0.00 0.00 179.45 178.61 1b9m h ASP 40 N 0.17 0.35 0.00 0.86 3.32 -0.07 -1.29 116.42 119.77 1b9m h ASP 40 Ca 0.06 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1b9m h ASP 40 Cb 0.01 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1b9m h ASP 40 CO -0.04 0.37 -0.01 0.00 -1.72 0.00 0.00 179.24 177.84 1b9m n ALA 41 N -2.49 2.62 -1.98 3.45 0.00 -0.18 -4.94 120.51 117.00 1b9m n ALA 41 Ca 0.01 -0.36 -0.06 0.00 0.00 0.00 0.00 53.44 53.02 1b9m n ALA 41 Cb 0.17 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 1b9m n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b9m n GLY 42 N 1.13 0.22 3.38 0.00 0.00 -0.49 -4.94 105.19 104.50 1b9m n GLY 42 Ca 0.20 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 1b9m n GLY 42 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1b9m s ILE 43 N -2.31 1.98 0.81 -0.61 -4.36 -0.56 -5.03 121.20 111.11 1b9m s ILE 43 Ca 0.00 -2.19 -0.11 0.00 -0.26 0.00 0.00 60.65 58.09 1b9m s ILE 43 Cb 0.00 -2.07 0.08 0.00 1.25 0.00 0.00 42.46 41.72 1b9m s ILE 43 CO 0.00 -0.46 1.09 -0.94 0.24 0.00 0.00 174.94 174.87 1b9m s SER 44 N -3.19 4.21 0.06 4.36 1.04 -1.26 -4.02 113.70 114.90 1b9m s SER 44 Ca 0.23 1.75 -0.25 0.00 0.48 0.00 0.00 55.95 58.16 1b9m s SER 44 Cb -0.03 -2.44 -0.16 0.00 0.10 0.00 0.00 66.02 63.49 1b9m s SER 44 CO 0.09 -2.21 1.61 0.22 0.98 0.00 0.00 173.24 173.93 1b9m h TYR 45 N -1.25 -0.11 -0.12 5.02 3.20 -1.92 -0.64 116.97 121.14 1b9m h TYR 45 Ca -0.45 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.38 1b9m h TYR 45 Cb 1.24 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 1b9m h TYR 45 CO 0.54 0.03 -0.09 1.57 -1.64 0.00 0.00 178.16 178.56 1b9m h LYS 46 N -0.23 0.18 -0.29 1.82 5.09 -2.00 -1.31 116.57 119.83 1b9m h LYS 46 Ca -0.01 -0.03 -0.09 0.00 0.09 0.00 0.00 60.65 60.60 1b9m h LYS 46 Cb 0.19 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 32.48 1b9m h LYS 46 CO 0.02 0.29 -0.21 0.77 -2.09 0.00 0.00 179.45 178.23 1b9m h SER 47 N 0.17 0.53 -0.55 7.07 0.02 -1.84 -0.26 113.55 118.70 1b9m h SER 47 Ca 0.04 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 1b9m h SER 47 Cb 0.28 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1b9m h SER 47 CO 0.02 0.74 0.19 0.00 -1.14 0.00 0.00 176.83 176.64 1b9m h ALA 48 N 1.30 0.72 -0.54 3.77 0.00 -0.04 -1.36 119.26 123.11 1b9m h ALA 48 Ca 0.08 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1b9m h ALA 48 Cb 0.63 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1b9m h ALA 48 CO 0.04 0.36 -0.03 -1.49 0.00 0.00 0.00 179.25 178.14 1b9m h TRP 49 N 0.76 1.04 -0.39 0.00 4.06 -1.09 -0.43 115.95 119.89 1b9m h TRP 49 Ca 0.18 -0.18 0.04 0.00 2.06 0.00 0.00 58.89 61.00 1b9m h TRP 49 Cb 0.25 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.10 1b9m h TRP 49 CO 0.01 0.95 0.15 -0.44 -3.56 0.00 0.00 178.44 175.55 1b9m h ASP 50 N 0.87 0.17 -0.18 -3.49 3.32 -0.81 0.83 116.42 117.13 1b9m h ASP 50 Ca 0.15 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1b9m h ASP 50 Cb 0.56 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1b9m h ASP 50 CO 0.03 0.13 0.06 0.00 -1.72 0.00 0.00 179.24 177.74 1b9m h ALA 51 N 1.25 0.24 -0.56 3.45 0.00 -1.07 -1.35 119.26 121.22 1b9m h ALA 51 Ca 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1b9m h ALA 51 Cb 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1b9m h ALA 51 CO -0.18 -0.14 0.35 0.82 0.00 0.00 0.00 179.25 180.11 1b9m h ILE 52 N 0.12 1.16 -0.72 0.00 2.04 -0.86 -2.62 117.51 116.63 1b9m h ILE 52 Ca 0.06 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1b9m h ILE 52 Cb 0.23 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1b9m h ILE 52 CO -0.00 0.16 0.27 0.78 0.00 0.00 0.00 178.15 179.36 1b9m h ASN 53 N 0.75 0.99 0.00 1.72 2.35 -0.75 -0.81 115.58 119.83 1b9m h ASN 53 Ca 0.20 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1b9m h ASN 53 Cb -0.04 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.07 1b9m h ASN 53 CO -0.04 0.89 0.00 1.21 -1.65 0.00 0.00 177.43 177.84 1b9m n GLU 54 N -4.28 0.45 0.00 0.81 2.13 -0.52 -1.44 120.64 117.79 1b9m n GLU 54 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1b9m n GLU 54 Cb 0.19 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.64 1b9m n GLU 54 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1b9m n ASN 56 N 0.59 0.00 -0.08 4.31 3.02 -0.31 -1.10 115.26 121.70 1b9m n ASN 56 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 1b9m n ASN 56 Cb 0.19 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.31 1b9m n ASN 56 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1b9m h GLN 57 N 0.00 0.42 -0.06 3.52 4.15 -1.49 -0.99 115.11 120.66 1b9m h GLN 57 Ca 0.00 -0.14 -0.17 0.00 0.77 0.00 0.00 58.65 59.11 1b9m h GLN 57 Cb 0.00 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1b9m h GLN 57 CO 0.00 0.62 -0.72 -0.07 -1.93 0.00 0.00 178.83 176.73 1b9m h LEU 58 N 0.18 0.35 0.01 -2.39 3.38 -1.38 -3.22 115.31 112.22 1b9m h LEU 58 Ca 0.06 -0.23 -0.21 0.00 0.09 0.00 0.00 57.88 57.59 1b9m h LEU 58 Cb 0.44 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1b9m h LEU 58 CO 0.02 0.95 -1.02 0.77 0.09 0.00 0.00 178.44 179.25 1b9m h SER 59 N 0.20 0.02 -0.54 -0.43 4.64 -1.78 -3.48 113.55 112.18 1b9m h SER 59 Ca -0.02 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.16 1b9m h SER 59 Cb 1.28 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1b9m h SER 59 CO 0.11 1.02 -0.12 -0.62 -0.87 0.00 0.00 176.83 176.35 1b9m n GLU 60 N -3.36 -0.41 -4.40 4.77 1.02 -0.38 -5.03 120.64 112.85 1b9m n GLU 60 Ca -0.01 0.47 -0.20 0.00 -0.02 0.00 0.00 57.16 57.41 1b9m n GLU 60 Cb 0.94 -4.24 -0.10 0.00 -0.02 0.00 0.00 31.44 28.02 1b9m n GLU 60 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1b9m s HIS 61 N -2.24 1.77 -0.18 -0.32 3.76 -1.19 -5.07 115.29 111.82 1b9m s HIS 61 Ca 0.00 -1.09 -0.06 0.00 -0.15 0.00 0.00 55.06 53.76 1b9m s HIS 61 Cb 0.00 -1.11 -0.03 0.00 1.11 0.00 0.00 32.58 32.55 1b9m s HIS 61 CO 0.00 -0.17 0.02 0.42 -0.85 0.00 0.00 174.74 174.15 1b9m s ILE 62 N -3.48 4.31 -0.14 0.60 -1.09 -1.26 -4.31 121.20 115.82 1b9m s ILE 62 Ca 0.36 -0.20 0.18 0.00 -2.23 0.00 0.00 60.65 58.75 1b9m s ILE 62 Cb 0.08 -2.93 -0.25 0.00 -1.58 0.00 0.00 42.46 37.79 1b9m s ILE 62 CO 0.15 0.46 0.31 0.18 -1.23 0.00 0.00 174.94 174.81 1b9m n LEU 63 N 3.68 0.24 -4.09 2.97 7.99 -1.26 -4.48 117.00 122.04 1b9m n LEU 63 Ca -0.17 0.11 -0.24 0.00 -0.01 0.00 0.00 56.01 55.70 1b9m n LEU 63 Cb 0.52 0.33 -0.16 0.00 -0.11 0.00 0.00 43.42 44.00 1b9m n LEU 63 CO 0.34 0.37 -0.48 -0.69 -1.51 0.00 0.00 177.39 175.41 1b9m s VAL 64 N -2.70 1.21 0.34 4.08 1.01 -1.26 -1.54 120.40 121.53 1b9m s VAL 64 Ca -0.08 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.35 1b9m s VAL 64 Cb 0.08 -1.04 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 1b9m s VAL 64 CO 0.84 0.35 0.03 -1.61 0.00 0.00 0.00 175.10 174.72 1b9m s GLU 65 N 0.04 1.70 -0.42 2.72 2.02 -0.02 -4.88 118.70 119.87 1b9m s GLU 65 Ca -0.02 -1.94 -0.25 0.00 0.02 0.00 0.00 54.97 52.77 1b9m s GLU 65 Cb -0.10 -1.05 0.02 0.00 0.10 0.00 0.00 34.13 33.10 1b9m s GLU 65 CO 0.01 -0.13 0.92 -0.98 0.02 0.00 0.00 175.26 175.09 1b9m s ARG 66 N -3.84 3.68 0.09 1.61 1.04 -1.26 -1.38 118.95 118.89 1b9m s ARG 66 Ca 0.35 0.34 0.01 0.00 -1.04 0.00 0.00 55.73 55.40 1b9m s ARG 66 Cb 0.08 -3.87 -0.04 0.00 -2.04 0.00 0.00 34.95 29.09 1b9m s ARG 66 CO 0.16 -1.08 0.20 0.00 -0.04 0.00 0.00 175.30 174.54 1b9m s ALA 76 N 3.60 3.91 0.04 7.88 0.00 0.96 -5.11 121.76 133.04 1b9m s ALA 76 Ca 0.37 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1b9m s ALA 76 Cb -0.11 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 1b9m s ALA 76 CO 0.23 0.73 -0.04 0.14 0.00 0.00 0.00 175.76 176.82 1b9m s VAL 77 N -1.56 0.27 0.45 0.00 -7.23 -0.48 -4.43 120.40 107.42 1b9m s VAL 77 Ca 0.34 -1.35 -0.21 0.00 -1.81 0.00 0.00 61.98 58.95 1b9m s VAL 77 Cb -0.12 -0.89 -0.09 0.00 0.56 0.00 0.00 36.38 35.84 1b9m s VAL 77 CO 0.27 -0.69 1.00 -0.76 -0.31 0.00 0.00 175.10 174.61 1b9m s LEU 78 N -2.14 3.93 1.02 1.32 1.43 -1.26 -0.84 118.68 122.15 1b9m s LEU 78 Ca -0.04 1.85 -0.17 0.00 -1.03 0.00 0.00 54.13 54.74 1b9m s LEU 78 Cb -0.02 -4.49 0.22 0.00 0.03 0.00 0.00 46.19 41.93 1b9m s LEU 78 CO -0.04 -0.57 1.24 0.42 0.23 0.00 0.00 176.35 177.63 1b9m s THR 79 N -2.00 1.88 0.23 5.49 -4.23 -0.59 -4.79 115.64 111.63 1b9m s THR 79 Ca 0.64 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.10 1b9m s THR 79 Cb -0.15 -2.83 0.10 0.00 1.34 0.00 0.00 72.50 70.96 1b9m s THR 79 CO 0.19 0.00 1.72 -0.09 -0.54 0.00 0.00 174.62 175.89 1b9m h ARG 80 N -1.89 0.92 -0.40 3.99 2.43 -1.90 -0.04 114.38 117.50 1b9m h ARG 80 Ca -0.45 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 58.44 1b9m h ARG 80 Cb 1.26 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 1b9m h ARG 80 CO 0.40 0.90 0.19 -0.92 -1.51 0.00 0.00 179.97 179.03 1b9m h TYR 81 N 0.86 0.57 -0.69 2.20 3.20 -1.92 0.58 116.97 121.77 1b9m h TYR 81 Ca 0.16 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1b9m h TYR 81 Cb 0.48 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 1b9m h TYR 81 CO 0.03 0.48 0.42 0.78 -1.64 0.00 0.00 178.16 178.23 1b9m h GLY 82 N 0.50 1.00 1.28 1.82 0.00 -1.63 0.56 103.07 106.59 1b9m h GLY 82 Ca 0.14 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1b9m h GLY 82 CO -0.02 0.40 0.18 1.46 0.00 0.00 0.00 176.54 178.56 1b9m h GLN 83 N 0.94 0.91 0.00 4.80 4.20 -0.77 -2.49 115.11 122.70 1b9m h GLN 83 Ca 0.25 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 1b9m h GLN 83 Cb -0.04 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1b9m h GLN 83 CO -0.05 0.79 -0.46 0.00 -0.67 0.00 0.00 178.83 178.45 1b9m h ARG 84 N 0.88 0.00 -0.38 1.46 3.08 -0.31 -0.60 114.38 118.52 1b9m h ARG 84 Ca 0.20 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.10 1b9m h ARG 84 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1b9m h ARG 84 CO -0.01 0.46 -0.36 1.25 -1.07 0.00 0.00 179.97 180.24 1b9m h LEU 85 N 0.00 0.93 -0.80 3.04 5.85 -0.50 -0.74 115.31 123.08 1b9m h LEU 85 Ca -0.00 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1b9m h LEU 85 Cb 1.02 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1b9m h LEU 85 CO 0.06 1.19 0.50 0.40 -0.34 0.00 0.00 178.44 180.25 1b9m h ILE 86 N 0.73 1.22 -0.61 4.05 2.04 -1.26 -2.06 117.51 121.62 1b9m h ILE 86 Ca 0.07 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1b9m h ILE 86 Cb 0.93 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1b9m h ILE 86 CO 0.09 0.22 0.32 1.56 0.00 0.00 0.00 178.15 180.34 1b9m h GLN 87 N 1.09 0.84 -0.76 2.37 4.20 -0.59 0.14 115.11 122.41 1b9m h GLN 87 Ca 0.29 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1b9m h GLN 87 Cb -0.07 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.50 1b9m h GLN 87 CO -0.06 0.62 0.40 1.25 -0.67 0.00 0.00 178.83 180.38 1b9m h LEU 88 N 0.84 0.96 -0.73 1.46 7.12 -0.50 0.57 115.31 125.03 1b9m h LEU 88 Ca 0.21 -0.11 -0.07 0.00 0.13 0.00 0.00 57.88 58.05 1b9m h LEU 88 Cb 0.04 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 39.89 1b9m h LEU 88 CO -0.03 0.79 0.19 1.88 -0.13 0.00 0.00 178.44 181.14 1b9m h TYR 89 N 1.05 1.21 0.00 1.25 -1.99 -0.59 -2.79 116.97 115.11 1b9m h TYR 89 Ca 0.26 -0.14 -0.07 0.00 2.00 0.00 0.00 58.73 60.79 1b9m h TYR 89 Cb 0.06 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.44 1b9m h TYR 89 CO 0.00 0.97 -0.32 -0.44 -0.00 0.00 0.00 178.16 178.38 1b9m h ASP 90 N 1.10 0.00 -0.35 3.88 3.32 0.27 -2.59 116.42 122.06 1b9m h ASP 90 Ca 0.23 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.30 1b9m h ASP 90 Cb 0.36 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1b9m h ASP 90 CO -0.00 0.32 0.20 0.25 -1.72 0.00 0.00 179.24 178.29 1b9m h LEU 91 N 0.00 0.32 -0.88 1.55 5.85 -0.65 -0.49 115.31 121.00 1b9m h LEU 91 Ca -0.00 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1b9m h LEU 91 Cb 0.57 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1b9m h LEU 91 CO 0.04 0.23 0.09 0.25 -0.34 0.00 0.00 178.44 178.71 1b9m h LEU 92 N 0.41 0.87 -0.98 2.25 5.85 -1.47 -1.66 115.31 120.57 1b9m h LEU 92 Ca 0.14 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 1b9m h LEU 92 Cb 0.01 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1b9m h LEU 92 CO -0.07 0.88 -0.12 0.00 -0.34 0.00 0.00 178.44 178.79 1b9m h ALA 93 N 1.23 1.15 -0.32 1.25 0.00 -1.01 -1.50 119.26 120.05 1b9m h ALA 93 Ca 0.18 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1b9m h ALA 93 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1b9m h ALA 93 CO 0.01 0.54 -0.28 1.96 0.00 0.00 0.00 179.25 181.48 1b9m h GLN 94 N 0.55 0.66 0.00 0.00 1.08 -0.49 -3.26 115.11 113.66 1b9m h GLN 94 Ca 0.10 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1b9m h GLN 94 Cb 0.53 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1b9m h GLN 94 CO 0.03 0.87 -0.72 1.51 -0.95 0.00 0.00 178.83 179.57 1b9m n ILE 95 N -4.09 0.01 -0.14 2.54 3.06 -0.68 -4.63 119.36 115.43 1b9m n ILE 95 Ca -0.00 -0.01 -0.07 0.00 -2.50 0.00 0.00 62.75 60.17 1b9m n ILE 95 Cb 0.45 0.55 0.02 0.00 0.54 0.00 0.00 39.64 41.20 1b9m n ILE 95 CO 0.00 0.00 0.00 0.06 -2.50 0.00 0.00 176.55 174.11 1b9m h GLN 96 N 0.00 0.47 -0.63 9.51 3.07 -1.32 0.14 115.11 126.36 1b9m h GLN 96 Ca 0.00 -0.03 -0.09 0.00 0.09 0.00 0.00 58.65 58.62 1b9m h GLN 96 Cb 0.51 -0.11 -0.02 0.00 0.08 0.00 0.00 27.48 27.94 1b9m h GLN 96 CO 0.00 0.31 0.02 0.37 0.09 0.00 0.00 178.83 179.63 1b9m h GLN 97 N 0.49 1.10 -0.68 0.06 5.75 -1.82 -0.81 115.11 119.20 1b9m h GLN 97 Ca 0.17 -0.34 -0.01 0.00 -0.15 0.00 0.00 58.65 58.33 1b9m h GLN 97 Cb 0.03 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1b9m h GLN 97 CO -0.09 1.05 0.40 0.87 -2.65 0.00 0.00 178.83 178.40 1b9m h LYS 98 N 1.00 0.93 -0.32 1.69 1.57 -1.68 0.76 116.57 120.52 1b9m h LYS 98 Ca 0.18 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 1b9m h LYS 98 Cb 0.54 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1b9m h LYS 98 CO 0.03 0.66 -0.27 0.00 -0.57 0.00 0.00 179.45 179.30 1b9m h ALA 99 N 1.50 0.46 -0.25 3.86 0.00 -0.35 -1.06 119.26 123.42 1b9m h ALA 99 Ca 0.24 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1b9m h ALA 99 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1b9m h ALA 99 CO -0.04 0.46 -0.10 0.74 0.00 0.00 0.00 179.25 180.30 1b9m h PHE 100 N 0.50 0.43 -0.27 0.00 -1.00 -0.73 -0.76 116.94 115.12 1b9m h PHE 100 Ca 0.06 -0.06 -0.11 0.00 2.81 0.00 0.00 57.97 60.67 1b9m h PHE 100 Cb 0.83 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 1b9m h PHE 100 CO 0.07 0.51 -0.30 -0.44 -1.61 0.00 0.00 178.31 176.54 1b9m h ASP 101 N 0.38 0.57 -0.38 2.17 3.32 -0.61 -1.40 116.42 120.48 1b9m h ASP 101 Ca 0.08 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 1b9m h ASP 101 Cb 0.42 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1b9m h ASP 101 CO 0.02 0.84 0.02 0.58 -1.72 0.00 0.00 179.24 178.98 1b9m h VAL 102 N 0.48 1.25 -0.86 -1.35 2.07 -0.74 -2.85 116.25 114.25 1b9m h VAL 102 Ca 0.06 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1b9m h VAL 102 Cb 0.76 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1b9m h VAL 102 CO 0.06 0.32 0.47 0.25 0.02 0.00 0.00 177.57 178.69 1b9m h LEU 103 N 0.48 1.07 -0.20 2.57 5.85 -0.84 -2.88 115.31 121.36 1b9m h LEU 103 Ca 0.11 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1b9m h LEU 103 Cb 0.44 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1b9m h LEU 103 CO 0.02 0.86 -0.00 -1.54 -0.34 0.00 0.00 178.44 177.43 1b9m n SER 104 N -4.37 0.31 -4.56 1.25 3.41 -0.55 -4.73 113.62 104.38 1b9m n SER 104 Ca 0.09 -1.05 -0.41 0.00 -0.26 0.00 0.00 58.87 57.24 1b9m n SER 104 Cb 0.10 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1b9m n SER 104 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1b9m s ASP 105 N -2.04 6.49 0.53 4.04 -1.08 -1.09 -4.85 116.67 118.67 1b9m s ASP 105 Ca 0.45 -1.42 0.31 0.00 -0.52 0.00 0.00 52.55 51.37 1b9m s ASP 105 Cb 0.22 -2.56 1.41 0.00 -1.46 0.00 0.00 42.92 40.53 1b9m s ASP 105 CO 0.37 -1.51 2.02 0.44 0.52 0.00 0.00 175.17 177.01 1b9m h ASP 106 N 9.78 0.00 0.40 -0.34 3.32 -1.89 -2.77 116.42 124.92 1b9m h ASP 106 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1b9m h ASP 106 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1b9m h ASP 106 CO 1.41 0.09 -0.28 0.47 -1.72 0.00 0.00 179.24 179.22 1b9m n ASP 107 N -3.33 0.67 -4.81 6.45 8.00 -1.26 -4.96 116.55 117.31 1b9m n ASP 107 Ca -0.01 -0.53 -0.33 0.00 0.71 0.00 0.00 54.79 54.63 1b9m n ASP 107 Cb 0.29 0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.42 1b9m n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b9m s ALA 108 N -2.68 2.93 1.08 2.24 0.00 -1.05 -5.05 121.76 119.24 1b9m s ALA 108 Ca 0.21 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.49 1b9m s ALA 108 Cb 0.19 -3.20 0.24 0.00 0.00 0.00 0.00 23.12 20.35 1b9m s ALA 108 CO 0.56 -0.23 1.06 -0.51 0.00 0.00 0.00 175.76 176.65 1b9m s LEU 109 N -3.60 1.17 0.40 0.00 1.43 -1.26 -4.92 118.68 111.90 1b9m s LEU 109 Ca 0.64 1.26 -0.27 0.00 -1.03 0.00 0.00 54.13 54.74 1b9m s LEU 109 Cb -0.13 -3.30 -0.10 0.00 0.03 0.00 0.00 46.19 42.69 1b9m s LEU 109 CO 0.22 -3.65 1.38 -2.65 0.23 0.00 0.00 176.35 171.88 1b9m n PRO 110 N -4.52 2.27 -2.13 1.29 -0.02 -1.26 -4.85 135.00 125.78 1b9m n PRO 110 Ca 0.04 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.90 1b9m n PRO 110 Cb 0.56 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 1b9m n PRO 110 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1b9m s LEU 111 N -1.97 4.29 -0.13 2.45 2.96 -1.26 -4.93 118.68 120.09 1b9m s LEU 111 Ca 0.58 2.11 -0.14 0.00 -0.22 0.00 0.00 54.13 56.46 1b9m s LEU 111 Cb -0.49 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.61 1b9m s LEU 111 CO 0.60 -0.85 -0.28 -3.20 -1.32 0.00 0.00 176.35 171.31 1b9m n ASN 112 N 6.57 1.65 -4.12 3.68 4.05 -1.26 -5.00 115.26 120.83 1b9m n ASN 112 Ca 0.16 0.27 -0.28 0.00 0.45 0.00 0.00 54.58 55.18 1b9m n ASN 112 Cb 0.43 -0.67 -0.17 0.00 1.23 0.00 0.00 39.78 40.61 1b9m n ASN 112 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1b9m s SER 113 N -5.73 2.35 0.13 1.20 0.15 -1.26 -5.02 113.70 105.52 1b9m s SER 113 Ca -0.23 -0.41 -0.08 0.00 0.70 0.00 0.00 55.95 55.94 1b9m s SER 113 Cb 0.03 -0.98 -0.06 0.00 -1.71 0.00 0.00 66.02 63.30 1b9m s SER 113 CO 0.34 0.11 1.36 0.25 1.20 0.00 0.00 173.24 176.50 1b9m h LEU 114 N 6.70 0.75 -0.88 3.45 5.85 -1.94 -1.77 115.31 127.47 1b9m h LEU 114 Ca -0.27 -0.49 -0.11 0.00 0.84 0.00 0.00 57.88 57.85 1b9m h LEU 114 Cb 1.20 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1b9m h LEU 114 CO 0.47 1.26 -0.38 -0.07 -0.34 0.00 0.00 178.44 179.39 1b9m h LEU 115 N 0.43 0.37 -0.22 2.25 3.38 -1.95 -1.85 115.31 117.72 1b9m h LEU 115 Ca -0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1b9m h LEU 115 Cb 1.37 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1b9m h LEU 115 CO 0.15 0.73 0.05 0.00 0.09 0.00 0.00 178.44 179.45 1b9m h ALA 116 N 1.30 0.29 -0.19 1.53 0.00 -1.86 -1.88 119.26 118.45 1b9m h ALA 116 Ca 0.03 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1b9m h ALA 116 Cb 0.81 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1b9m h ALA 116 CO 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 179.25 179.20 1b9m h ALA 117 N 0.86 0.11 0.00 0.00 0.00 -1.19 0.54 119.26 119.58 1b9m h ALA 117 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1b9m h ALA 117 Cb 0.29 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1b9m h ALA 117 CO 0.00 -0.49 0.00 -0.84 0.00 0.00 0.00 179.25 177.92 1b9m h ILE 118 N -0.02 0.00 0.00 0.00 3.07 -1.32 -3.19 117.51 116.05 1b9m h ILE 118 Ca 0.10 -0.32 -0.36 0.00 1.55 0.00 0.00 64.86 65.83 1b9m h ILE 118 Cb 0.16 1.13 -0.07 0.00 -0.27 0.00 0.00 36.82 37.77 1b9m h ILE 118 CO -0.21 0.00 -2.29 -1.20 -1.05 0.00 0.00 178.15 173.40 1b9m n SER 119 N -2.33 0.16 -0.26 2.16 7.64 -0.63 -4.42 113.62 115.95 1b9m n SER 119 Ca 0.03 0.06 -0.03 0.00 1.01 0.00 0.00 58.87 59.93 1b9m n SER 119 Cb 0.28 0.82 0.02 0.00 -1.01 0.00 0.00 64.21 64.32 1b9m n SER 119 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1b9m h ARG 120 N 0.00 -0.10 0.00 1.43 1.12 0.06 -0.45 114.38 116.44 1b9m h ARG 120 Ca -0.51 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.36 1b9m h ARG 120 Cb 2.21 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 32.19 1b9m h ARG 120 CO 0.04 -0.07 -1.48 1.19 -3.11 0.00 0.00 179.97 176.53 1b9m n PHE 121 N -5.45 0.35 0.08 2.20 3.01 -1.26 -4.43 117.46 111.96 1b9m n PHE 121 Ca 0.06 0.10 -0.21 0.00 1.01 0.00 0.00 57.45 58.41 1b9m n PHE 121 Cb 0.37 -0.61 -0.15 0.00 -0.01 0.00 0.00 39.48 39.08 1b9m n PHE 121 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1b9m h SER 122 N 0.00 0.58 -2.58 4.37 0.87 -1.71 -3.45 113.55 111.63 1b9m h SER 122 Ca 0.00 -0.80 -0.53 0.00 -1.23 0.00 0.00 61.79 59.23 1b9m h SER 122 Cb 0.93 -0.19 0.02 0.00 -0.44 0.00 0.00 62.40 62.72 1b9m h SER 122 CO 0.00 1.66 1.08 -0.22 -0.53 0.00 0.00 176.83 178.82 1b9m s LEU 123 N -7.24 4.38 0.10 2.23 2.96 -0.20 -4.99 118.68 115.91 1b9m s LEU 123 Ca -0.12 2.55 0.05 0.00 -0.22 0.00 0.00 54.13 56.38 1b9m s LEU 123 Cb 0.06 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.16 1b9m s LEU 123 CO 0.87 -0.95 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.73 1b9m s GLN 124 N 3.17 0.89 0.31 1.98 -1.52 -1.26 -4.99 119.66 118.25 1b9m s GLN 124 Ca 0.78 -1.14 0.05 0.00 -1.95 0.00 0.00 55.36 53.11 1b9m s GLN 124 Cb -0.41 -0.69 -0.06 0.00 -0.22 0.00 0.00 33.01 31.63 1b9m s GLN 124 CO 0.35 0.12 0.01 0.95 -0.25 0.00 0.00 175.29 176.47 1b9m s THR 125 N -2.12 1.44 -1.47 -0.19 -4.23 -1.26 -5.03 115.64 102.78 1b9m s THR 125 Ca 0.05 -2.05 0.30 0.00 -1.18 0.00 0.00 61.69 58.81 1b9m s THR 125 Cb -0.05 -2.67 0.51 0.00 1.34 0.00 0.00 72.50 71.63 1b9m s THR 125 CO 0.01 -0.12 2.02 -1.54 -0.54 0.00 0.00 174.62 174.45 1b9m n SER 126 N -0.67 0.08 -4.73 3.99 3.41 -1.26 -4.83 113.62 109.62 1b9m n SER 126 Ca -0.04 -0.22 -0.42 0.00 -0.26 0.00 0.00 58.87 57.93 1b9m n SER 126 Cb 0.65 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1b9m n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b9m s ALA 127 N -2.55 3.42 0.11 7.33 0.00 -1.26 -4.91 121.76 123.89 1b9m s ALA 127 Ca 0.29 0.91 0.34 0.00 0.00 0.00 0.00 51.96 53.49 1b9m s ALA 127 Cb 0.20 -3.43 1.42 0.00 0.00 0.00 0.00 23.12 21.31 1b9m s ALA 127 CO 0.47 -0.40 2.00 0.00 0.00 0.00 0.00 175.76 177.82 1b9m h ARG 128 N 6.01 0.00 -4.60 0.00 2.47 -1.88 -3.37 114.38 113.00 1b9m h ARG 128 Ca -0.43 0.00 -0.69 0.00 -1.26 0.00 0.00 59.98 57.60 1b9m h ARG 128 Cb 1.21 0.00 -0.32 0.00 -1.65 0.00 0.00 29.97 29.21 1b9m h ARG 128 CO 0.78 0.00 -0.60 -0.80 0.56 0.00 0.00 179.97 179.91 1b9m s ASN 129 N -5.57 5.20 -0.28 7.04 0.01 -1.11 -4.77 114.94 115.47 1b9m s ASN 129 Ca 0.01 -1.56 -0.00 0.00 -0.71 0.00 0.00 52.86 50.60 1b9m s ASN 129 Cb 0.09 -1.82 0.09 0.00 0.41 0.00 0.00 41.25 40.02 1b9m s ASN 129 CO 0.52 -0.41 0.06 -1.58 -1.51 0.00 0.00 177.10 174.18 1b9m s GLN 130 N 1.26 0.94 0.10 -0.60 0.74 -1.26 -1.18 119.66 119.66 1b9m s GLN 130 Ca 0.02 -1.05 0.10 0.00 0.05 0.00 0.00 55.36 54.48 1b9m s GLN 130 Cb -0.21 -2.25 -0.04 0.00 1.10 0.00 0.00 33.01 31.62 1b9m s GLN 130 CO -0.01 -0.86 -0.26 -1.58 -0.55 0.00 0.00 175.29 172.03 1b9m s TRP 131 N 1.54 2.22 0.10 1.67 0.51 -0.29 -4.95 118.94 119.74 1b9m s TRP 131 Ca 0.06 -0.39 -0.06 0.00 -2.12 0.00 0.00 56.10 53.58 1b9m s TRP 131 Cb -0.18 -1.24 -0.05 0.00 -0.81 0.00 0.00 33.47 31.18 1b9m s TRP 131 CO -0.17 0.26 0.36 -0.06 -0.51 0.00 0.00 176.95 176.83 1b9m s PHE 132 N -0.99 3.52 0.12 -1.98 2.99 -1.26 0.42 117.98 120.80 1b9m s PHE 132 Ca 0.12 0.62 -0.04 0.00 0.00 0.00 0.00 56.93 57.63 1b9m s PHE 132 Cb -0.10 -2.04 0.02 0.00 0.00 0.00 0.00 43.02 40.89 1b9m s PHE 132 CO 0.05 0.49 0.23 0.41 -0.00 0.00 0.00 175.22 176.39 1b9m n GLY 133 N 0.48 1.90 2.96 4.36 0.00 -0.80 -1.35 105.19 112.74 1b9m n GLY 133 Ca -0.05 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 1b9m n GLY 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b9m s THR 134 N -2.69 0.10 0.14 2.61 -4.23 -0.40 -0.92 115.64 110.24 1b9m s THR 134 Ca 0.06 -0.76 -0.30 0.00 -1.18 0.00 0.00 61.69 59.51 1b9m s THR 134 Cb -0.01 -0.22 -0.07 0.00 1.34 0.00 0.00 72.50 73.53 1b9m s THR 134 CO 0.04 -0.41 1.18 -0.63 -0.54 0.00 0.00 174.62 174.26 1b9m s ILE 135 N -1.21 3.80 0.00 2.99 -1.09 -0.74 -0.65 121.20 124.30 1b9m s ILE 135 Ca -0.13 1.43 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 1b9m s ILE 135 Cb -0.08 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 1b9m s ILE 135 CO -0.01 0.19 0.00 0.35 -1.23 0.00 0.00 174.94 174.24 1b9m n THR 136 N 3.01 0.00 -3.72 2.92 -2.24 -0.46 0.21 114.28 114.00 1b9m n THR 136 Ca 0.06 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 1b9m n THR 136 Cb 0.46 -0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.49 1b9m n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b9m s ALA 137 N -2.13 -0.38 0.00 6.98 0.00 -1.26 -4.58 121.76 120.39 1b9m s ALA 137 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1b9m s ALA 137 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1b9m s ALA 137 CO 0.00 -0.26 0.00 0.94 0.00 0.00 0.00 175.76 176.44 1b9m n GLN 145 N 4.45 0.00 -3.84 0.00 0.00 -1.24 -4.94 117.38 111.80 1b9m n GLN 145 Ca -0.22 0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 56.71 1b9m n GLN 145 Cb 0.52 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.78 1b9m n GLN 145 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.06 173.68 1b9m s HIS 146 N 0.00 0.13 0.14 3.69 -3.43 -1.22 -1.43 115.29 113.17 1b9m s HIS 146 Ca 0.00 -0.72 0.05 0.00 -0.80 0.00 0.00 55.06 53.60 1b9m s HIS 146 Cb 0.00 0.80 -0.04 0.00 -1.43 0.00 0.00 32.58 31.91 1b9m s HIS 146 CO 0.00 -1.36 -0.12 0.14 -2.00 0.00 0.00 174.74 171.40 1b9m s VAL 147 N -2.12 1.30 -0.13 -5.38 -7.23 -0.31 -4.86 120.40 101.67 1b9m s VAL 147 Ca 0.18 -1.93 -0.05 0.00 -1.81 0.00 0.00 61.98 58.37 1b9m s VAL 147 Cb -0.04 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 1b9m s VAL 147 CO 0.10 -0.59 0.04 -1.81 -0.31 0.00 0.00 175.10 172.53 1b9m s ASP 148 N -2.88 5.52 -0.04 4.85 1.01 -1.26 -1.12 116.67 122.75 1b9m s ASP 148 Ca 0.14 0.15 0.06 0.00 0.71 0.00 0.00 52.55 53.61 1b9m s ASP 148 Cb -0.01 -1.77 -0.01 0.00 1.01 0.00 0.00 42.92 42.14 1b9m s ASP 148 CO 0.02 0.30 -0.21 -0.69 0.21 0.00 0.00 175.17 174.80 1b9m s VAL 149 N -0.38 1.69 -0.27 -1.27 1.01 0.26 -1.35 120.40 120.09 1b9m s VAL 149 Ca 0.09 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 1b9m s VAL 149 Cb -0.12 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1b9m s VAL 149 CO 0.02 0.48 0.09 -0.22 0.00 0.00 0.00 175.10 175.47 1b9m s LEU 150 N -0.20 3.63 0.96 3.92 2.96 0.18 -0.64 118.68 129.49 1b9m s LEU 150 Ca 0.00 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 53.48 1b9m s LEU 150 Cb -0.11 -1.94 0.17 0.00 0.50 0.00 0.00 46.19 44.81 1b9m s LEU 150 CO 0.02 -0.08 1.09 -0.76 -1.32 0.00 0.00 176.35 175.30 1b9m s LEU 151 N 1.61 2.17 0.65 -0.68 1.43 -0.31 -1.28 118.68 122.27 1b9m s LEU 151 Ca 0.06 1.78 0.39 0.00 -1.03 0.00 0.00 54.13 55.33 1b9m s LEU 151 Cb -0.16 -4.08 2.20 0.00 0.03 0.00 0.00 46.19 44.18 1b9m s LEU 151 CO 0.04 -3.16 2.30 0.00 0.23 0.00 0.00 176.35 175.76 1b9m h ALA 152 N -1.91 1.19 0.00 4.21 0.00 -1.56 0.74 119.26 121.93 1b9m h ALA 152 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1b9m h ALA 152 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1b9m h ALA 152 CO 0.48 -0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.29 1b9m n ASP 153 N -3.28 0.00 0.00 0.00 5.68 -1.26 -4.87 116.55 112.82 1b9m n ASP 153 Ca -0.03 0.40 0.00 0.00 -0.50 0.00 0.00 54.79 54.67 1b9m n ASP 153 Cb 0.11 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 1b9m n ASP 153 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b9m n GLY 154 N -0.16 1.32 0.94 6.12 0.00 0.25 -4.79 105.19 108.87 1b9m n GLY 154 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 1b9m n GLY 154 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1b9m n LYS 155 N -2.00 0.05 -2.01 1.61 -0.00 -1.26 -4.92 118.16 109.63 1b9m n LYS 155 Ca 0.00 0.02 -0.42 0.00 -0.00 0.00 0.00 58.31 57.91 1b9m n LYS 155 Cb 0.00 -0.59 -0.03 0.00 -0.00 0.00 0.00 35.03 34.41 1b9m n LYS 155 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1b9m s THR 156 N -2.07 3.57 -0.05 0.58 -1.32 -1.26 -4.87 115.64 110.23 1b9m s THR 156 Ca -0.03 0.68 -0.08 0.00 -1.21 0.00 0.00 61.69 61.04 1b9m s THR 156 Cb 0.01 -3.49 -0.05 0.00 -1.51 0.00 0.00 72.50 67.46 1b9m s THR 156 CO 0.04 -0.12 0.24 -0.60 -2.21 0.00 0.00 174.62 171.97 1b9m s ARG 157 N 4.34 3.58 0.10 7.08 3.52 -1.26 -1.16 118.95 135.15 1b9m s ARG 157 Ca 0.74 -0.02 0.06 0.00 -0.13 0.00 0.00 55.73 56.39 1b9m s ARG 157 Cb -0.31 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 1b9m s ARG 157 CO 0.30 0.72 -0.16 -0.51 -0.81 0.00 0.00 175.30 174.84 1b9m s LEU 158 N -1.32 2.33 -0.16 -0.88 1.43 0.19 -4.91 118.68 115.37 1b9m s LEU 158 Ca 0.21 -0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1b9m s LEU 158 Cb -0.13 -0.62 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 1b9m s LEU 158 CO 0.10 -0.07 -0.10 -0.75 0.23 0.00 0.00 176.35 175.76 1b9m s LYS 159 N -2.16 3.41 -0.14 1.70 2.20 -1.26 -0.57 119.74 122.92 1b9m s LYS 159 Ca 0.04 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 55.03 1b9m s LYS 159 Cb -0.08 -2.76 0.01 0.00 -1.51 0.00 0.00 37.83 33.49 1b9m s LYS 159 CO 0.03 0.10 -0.22 0.08 -0.36 0.00 0.00 175.35 174.98 1b9m s VAL 160 N 0.66 2.04 -0.00 4.02 1.01 -0.27 -4.40 120.40 123.46 1b9m s VAL 160 Ca -0.05 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 1b9m s VAL 160 Cb -0.15 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1b9m s VAL 160 CO 0.02 0.55 1.06 0.00 0.00 0.00 0.00 175.10 176.73 1b9m s ALA 161 N 0.81 3.28 -0.27 5.51 0.00 -0.74 -1.16 121.76 129.19 1b9m s ALA 161 Ca -0.07 0.60 -0.24 0.00 0.00 0.00 0.00 51.96 52.26 1b9m s ALA 161 Cb -0.16 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.65 1b9m s ALA 161 CO -0.02 -0.38 0.79 -1.50 0.00 0.00 0.00 175.76 174.65 1b9m s ILE 162 N 1.27 0.00 0.85 0.00 2.07 -0.52 -4.81 121.20 120.07 1b9m s ILE 162 Ca 0.54 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.66 1b9m s ILE 162 Cb -0.23 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.46 1b9m s ILE 162 CO 0.26 0.00 1.09 0.42 -1.91 0.00 0.00 174.94 174.81 1b9m s THR 163 N 0.54 2.91 0.27 4.00 -4.23 -1.26 -3.43 115.64 114.44 1b9m s THR 163 Ca -0.01 0.30 -0.02 0.00 -1.18 0.00 0.00 61.69 60.78 1b9m s THR 163 Cb -0.05 -2.78 0.15 0.00 1.34 0.00 0.00 72.50 71.15 1b9m s THR 163 CO -0.04 -0.39 1.81 0.00 -0.54 0.00 0.00 174.62 175.47 1b9m h ALA 164 N -1.39 1.18 -0.46 3.99 0.00 -1.97 -1.23 119.26 119.38 1b9m h ALA 164 Ca -0.47 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.25 1b9m h ALA 164 Cb 1.26 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1b9m h ALA 164 CO 0.53 0.55 0.27 1.96 0.00 0.00 0.00 179.25 182.57 1b9m h GLN 165 N 0.81 0.52 0.00 0.00 7.50 -2.00 -1.85 115.11 120.09 1b9m h GLN 165 Ca 0.18 -0.03 -0.09 0.00 0.50 0.00 0.00 58.65 59.20 1b9m h GLN 165 Cb 0.32 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.72 1b9m h GLN 165 CO 0.00 0.35 -0.44 0.77 -1.50 0.00 0.00 178.83 178.01 1b9m h SER 166 N 0.54 0.00 -0.18 1.46 0.02 -1.84 -1.63 113.55 111.92 1b9m h SER 166 Ca 0.19 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.04 1b9m h SER 166 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1b9m h SER 166 CO -0.09 0.44 -0.22 1.23 -1.14 0.00 0.00 176.83 177.05 1b9m h GLY 167 N 1.94 0.67 1.21 -3.77 0.00 -0.87 -1.51 103.07 100.74 1b9m h GLY 167 Ca -0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 47.33 46.62 1b9m h GLY 167 CO 0.06 0.50 -0.43 0.00 0.00 0.00 0.00 176.54 176.67 1b9m h ALA 168 N 1.22 0.60 -0.36 3.60 0.00 -1.11 -0.07 119.26 123.14 1b9m h ALA 168 Ca 0.08 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1b9m h ALA 168 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1b9m h ALA 168 CO 0.05 0.68 -0.01 -0.09 0.00 0.00 0.00 179.25 179.88 1b9m h ARG 169 N 0.69 0.56 0.00 0.00 2.43 -0.98 -2.06 114.38 115.03 1b9m h ARG 169 Ca 0.05 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1b9m h ARG 169 Cb 1.01 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1b9m h ARG 169 CO 0.10 0.59 -0.24 -0.07 -1.51 0.00 0.00 179.97 178.85 1b9m h LEU 170 N 0.54 0.00 -1.65 3.80 3.38 -1.12 -3.48 115.31 116.79 1b9m h LEU 170 Ca 0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1b9m h LEU 170 Cb 0.36 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.14 1b9m h LEU 170 CO 0.01 0.00 -0.16 0.61 0.09 0.00 0.00 178.44 179.00 1b9m n GLY 171 N 1.12 0.38 3.56 0.83 0.00 -0.23 -4.78 105.19 106.07 1b9m n GLY 171 Ca 0.03 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 1b9m n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b9m s LEU 172 N -2.74 3.40 0.33 0.99 1.43 -0.21 -4.87 118.68 117.01 1b9m s LEU 172 Ca 0.04 -1.13 0.08 0.00 -1.03 0.00 0.00 54.13 52.09 1b9m s LEU 172 Cb -0.02 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 1b9m s LEU 172 CO 0.15 -1.66 0.11 -1.81 0.23 0.00 0.00 176.35 173.38 1b9m s ASP 173 N 4.83 4.65 0.12 2.29 -0.00 -1.26 -4.91 116.67 122.38 1b9m s ASP 173 Ca 0.44 -0.75 -0.35 0.00 -0.00 0.00 0.00 52.55 51.89 1b9m s ASP 173 Cb -0.03 -0.75 -0.16 0.00 -0.00 0.00 0.00 42.92 41.98 1b9m s ASP 173 CO -0.03 -0.24 1.35 1.21 -0.00 0.00 0.00 175.17 177.46 1b9m n GLU 174 N -1.10 1.34 -0.97 8.23 2.13 -1.26 -0.65 120.64 128.36 1b9m n GLU 174 Ca -0.04 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.26 1b9m n GLU 174 Cb 0.61 -2.12 0.00 0.00 0.27 0.00 0.00 31.44 30.20 1b9m n GLU 174 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1b9m n GLY 175 N 2.56 0.88 3.76 8.31 0.00 0.13 -4.94 105.19 115.88 1b9m n GLY 175 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1b9m n GLY 175 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b9m s LYS 176 N -0.08 4.25 0.20 1.61 2.36 0.18 -4.64 119.74 123.62 1b9m s LYS 176 Ca 0.00 2.35 -0.30 0.00 -2.55 0.00 0.00 55.97 55.47 1b9m s LYS 176 Cb 0.00 -3.07 -0.08 0.00 -1.05 0.00 0.00 37.83 33.63 1b9m s LYS 176 CO 0.00 -0.40 0.98 -2.00 1.55 0.00 0.00 175.35 175.48 1b9m s GLU 177 N -1.01 4.77 0.09 4.03 2.12 -1.26 -1.80 118.70 125.63 1b9m s GLU 177 Ca 0.56 1.54 0.02 0.00 0.36 0.00 0.00 54.97 57.45 1b9m s GLU 177 Cb -0.43 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1b9m s GLU 177 CO 0.49 0.36 -0.08 0.14 -0.54 0.00 0.00 175.26 175.63 1b9m s VAL 178 N -0.76 0.74 -0.16 3.70 -7.23 -0.09 -4.75 120.40 111.84 1b9m s VAL 178 Ca 0.44 -1.68 -0.05 0.00 -1.81 0.00 0.00 61.98 58.88 1b9m s VAL 178 Cb -0.26 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 1b9m s VAL 178 CO 0.33 -0.68 0.02 -0.22 -0.31 0.00 0.00 175.10 174.23 1b9m s LEU 179 N -2.58 3.58 -0.16 1.32 2.96 0.94 -1.90 118.68 122.84 1b9m s LEU 179 Ca 0.06 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1b9m s LEU 179 Cb -0.00 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 1b9m s LEU 179 CO -0.02 0.19 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.48 1b9m s ILE 180 N 0.23 3.29 -0.10 6.68 1.01 0.17 -0.54 121.20 131.93 1b9m s ILE 180 Ca 0.01 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.12 1b9m s ILE 180 Cb -0.13 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 39.93 1b9m s ILE 180 CO 0.01 0.50 -0.18 -0.76 0.00 0.00 0.00 174.94 174.51 1b9m s LEU 181 N 0.60 1.88 -0.15 2.97 1.43 0.17 -1.13 118.68 124.44 1b9m s LEU 181 Ca -0.06 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1b9m s LEU 181 Cb -0.15 -1.18 0.07 0.00 0.03 0.00 0.00 46.19 44.96 1b9m s LEU 181 CO 0.03 0.08 0.18 -0.22 0.23 0.00 0.00 176.35 176.65 1b9m s LEU 182 N 0.65 -0.03 0.53 1.79 0.20 -0.33 -2.02 118.68 119.47 1b9m s LEU 182 Ca -0.13 -0.05 -0.19 0.00 0.69 0.00 0.00 54.13 54.44 1b9m s LEU 182 Cb -0.16 0.26 -0.06 0.00 -0.43 0.00 0.00 46.19 45.79 1b9m s LEU 182 CO 0.04 -0.30 1.10 -0.54 -0.29 0.00 0.00 176.35 176.36 1b9m s LYS 183 N 2.29 3.45 0.23 1.98 1.02 -1.26 -2.73 119.74 124.72 1b9m s LYS 183 Ca 0.05 1.51 -0.06 0.00 0.02 0.00 0.00 55.97 57.49 1b9m s LYS 183 Cb -0.14 -2.03 0.37 0.00 -0.52 0.00 0.00 37.83 35.51 1b9m s LYS 183 CO -0.09 -0.75 1.78 0.00 -0.92 0.00 0.00 175.35 175.37 1b9m h ALA 184 N 1.21 1.04 0.00 5.17 0.00 -1.95 -1.80 119.26 122.93 1b9m h ALA 184 Ca -0.50 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1b9m h ALA 184 Cb 1.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1b9m h ALA 184 CO 0.57 -0.04 0.00 -2.30 0.00 0.00 0.00 179.25 177.49 1b9m n PRO 185 N -4.85 0.13 0.00 0.00 -0.02 -1.26 -1.74 135.00 127.26 1b9m n PRO 185 Ca 0.12 0.19 0.13 0.00 -2.02 0.00 0.00 63.50 61.92 1b9m n PRO 185 Cb 0.29 -1.50 0.43 0.00 -0.02 0.00 0.00 33.50 32.71 1b9m n PRO 185 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1b9m n TRP 186 N -1.36 0.00 -3.91 6.00 8.01 -0.68 -4.88 117.44 120.62 1b9m n TRP 186 Ca 0.06 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.90 1b9m n TRP 186 Cb 0.14 -0.10 -0.09 0.00 -2.01 0.00 0.00 31.31 29.25 1b9m n TRP 186 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 1b9m s VAL 187 N -2.38 4.99 0.22 -0.99 1.01 -0.86 -4.71 120.40 117.69 1b9m s VAL 187 Ca 0.28 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1b9m s VAL 187 Cb 0.20 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1b9m s VAL 187 CO 0.47 0.45 0.40 -0.83 0.00 0.00 0.00 175.10 175.59 1b9m s GLY 188 N 0.40 1.65 -0.09 4.51 0.00 0.22 -4.38 107.32 109.64 1b9m s GLY 188 Ca 0.05 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.89 1b9m s GLY 188 CO -0.00 -0.87 -0.14 -0.42 0.00 0.00 0.00 173.10 171.67 1b9m s ILE 189 N -1.94 1.34 0.01 0.90 -1.09 -1.26 -1.26 121.20 117.90 1b9m s ILE 189 Ca 0.38 -0.58 0.01 0.00 -2.23 0.00 0.00 60.65 58.23 1b9m s ILE 189 Cb -0.11 -1.22 -0.01 0.00 -1.58 0.00 0.00 42.46 39.55 1b9m s ILE 189 CO 0.30 0.40 -0.03 0.28 -1.23 0.00 0.00 174.94 174.66 1b9m s THR 190 N 0.79 0.19 -2.05 2.92 -1.32 -0.56 -4.98 115.64 110.63 1b9m s THR 190 Ca -0.11 -0.41 0.21 0.00 -1.21 0.00 0.00 61.69 60.16 1b9m s THR 190 Cb -0.16 -0.23 0.47 0.00 -1.51 0.00 0.00 72.50 71.08 1b9m s THR 190 CO 0.02 -0.14 1.40 0.00 -2.21 0.00 0.00 174.62 173.69 1b9m n GLN 191 N 2.48 2.54 -3.76 7.08 10.64 -1.26 -1.01 117.38 134.09 1b9m n GLN 191 Ca -0.17 -2.34 -0.37 0.00 -1.83 0.00 0.00 57.00 52.29 1b9m n GLN 191 Cb 0.58 -1.49 -0.12 0.00 -0.86 0.00 0.00 30.24 28.34 1b9m n GLN 191 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1b9m s ASP 192 N -1.23 5.29 0.50 2.61 1.01 -1.26 -4.97 116.67 118.61 1b9m s ASP 192 Ca 0.39 -1.26 0.19 0.00 0.71 0.00 0.00 52.55 52.58 1b9m s ASP 192 Cb 0.22 -1.86 1.24 0.00 1.01 0.00 0.00 42.92 43.53 1b9m s ASP 192 CO 0.29 -0.36 2.04 -0.33 0.21 0.00 0.00 175.17 177.03 1b9m h GLU 193 N 8.20 0.12 0.00 8.23 4.39 -1.98 0.15 114.58 133.68 1b9m h GLU 193 Ca -0.22 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.44 1b9m h GLU 193 Cb 1.08 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1b9m h GLU 193 CO 0.62 0.08 -0.17 0.00 -1.16 0.00 0.00 179.01 178.37 1b9m h ALA 194 N 1.81 1.21 0.00 3.43 0.00 -2.00 0.82 119.26 124.53 1b9m h ALA 194 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1b9m h ALA 194 Cb 0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1b9m h ALA 194 CO -0.02 0.22 -0.22 0.28 0.00 0.00 0.00 179.25 179.50 1b9m h VAL 195 N 0.00 1.19 -1.00 0.00 2.07 -1.19 -3.38 116.25 113.94 1b9m h VAL 195 Ca -0.00 -1.97 0.09 0.00 0.82 0.00 0.00 66.70 65.64 1b9m h VAL 195 Cb 0.48 2.33 -0.07 0.00 -1.52 0.00 0.00 31.29 32.51 1b9m h VAL 195 CO 0.02 0.40 0.64 0.00 0.02 0.00 0.00 177.57 178.66 1b9m h ALA 196 N -0.34 1.47 0.00 1.67 0.00 -1.04 -2.93 119.26 118.09 1b9m h ALA 196 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1b9m h ALA 196 Cb 0.82 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1b9m h ALA 196 CO -0.03 0.34 0.06 -0.56 0.00 0.00 0.00 179.25 179.06 1b9m h GLN 197 N 1.09 0.00 -0.69 0.00 -0.00 -1.01 -1.50 115.11 113.00 1b9m h GLN 197 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.11 1b9m h GLN 197 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.79 1b9m h GLN 197 CO -0.21 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 178.71 1b9m n ASN 198 N -2.89 4.28 -4.90 0.06 3.02 -1.10 -4.95 115.26 108.78 1b9m n ASN 198 Ca -0.03 -2.19 -0.28 0.00 -0.03 0.00 0.00 54.58 52.05 1b9m n ASN 198 Cb 0.12 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.74 1b9m n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b9m s ALA 199 N -1.36 3.55 0.20 5.41 0.00 -0.57 -5.00 121.76 123.99 1b9m s ALA 199 Ca 0.50 -0.53 -0.08 0.00 0.00 0.00 0.00 51.96 51.85 1b9m s ALA 199 Cb 0.28 -2.39 0.11 0.00 0.00 0.00 0.00 23.12 21.13 1b9m s ALA 199 CO 0.29 0.10 1.66 -0.44 0.00 0.00 0.00 175.76 177.37 1b9m h ASP 200 N 1.33 1.01 -3.73 0.00 3.32 -1.89 -3.43 116.42 113.03 1b9m h ASP 200 Ca -0.48 -0.28 -0.50 0.00 0.02 0.00 0.00 57.03 55.79 1b9m h ASP 200 Cb 1.19 -0.27 -0.32 0.00 0.22 0.00 0.00 39.33 40.16 1b9m h ASP 200 CO 0.65 1.06 -0.81 0.20 -1.72 0.00 0.00 179.24 178.62 1b9m s ASN 201 N -6.59 1.68 -0.11 6.45 0.01 -0.84 -4.75 114.94 110.79 1b9m s ASN 201 Ca -0.11 -0.27 -0.00 0.00 -0.71 0.00 0.00 52.86 51.76 1b9m s ASN 201 Cb 0.14 -0.55 0.02 0.00 0.41 0.00 0.00 41.25 41.27 1b9m s ASN 201 CO 0.85 0.08 -0.08 -1.10 -1.51 0.00 0.00 177.10 175.35 1b9m s GLN 202 N 0.28 1.55 -0.34 -0.60 -0.21 -1.26 -2.54 119.66 116.54 1b9m s GLN 202 Ca -0.07 -0.27 0.01 0.00 0.02 0.00 0.00 55.36 55.06 1b9m s GLN 202 Cb -0.12 -1.57 0.10 0.00 1.00 0.00 0.00 33.01 32.42 1b9m s GLN 202 CO 0.02 -0.24 0.09 -0.51 -2.12 0.00 0.00 175.29 172.53 1b9m s LEU 203 N 1.62 3.29 0.51 2.90 1.43 0.17 -4.96 118.68 123.64 1b9m s LEU 203 Ca 0.03 -1.94 -0.20 0.00 -1.03 0.00 0.00 54.13 50.99 1b9m s LEU 203 Cb -0.13 -1.19 -0.07 0.00 0.03 0.00 0.00 46.19 44.83 1b9m s LEU 203 CO -0.07 -0.39 1.11 -2.16 0.23 0.00 0.00 176.35 175.07 1b9m s PRO 204 N 1.21 3.55 -0.01 1.29 0.04 -1.26 -0.62 135.00 139.20 1b9m s PRO 204 Ca 0.11 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 1b9m s PRO 204 Cb -0.19 -2.09 0.12 0.00 0.04 0.00 0.00 34.50 32.38 1b9m s PRO 204 CO -0.16 -0.68 1.27 0.20 0.04 0.00 0.00 177.00 177.67 1b9m s GLY 205 N -1.77 -0.40 -0.07 0.56 0.00 -0.57 -4.90 107.32 100.16 1b9m s GLY 205 Ca 0.70 0.65 -0.14 0.00 0.00 0.00 0.00 44.72 45.93 1b9m s GLY 205 CO 0.26 0.26 0.35 -0.42 0.00 0.00 0.00 173.10 173.55 1b9m s ILE 206 N -2.45 5.19 -0.06 0.90 1.01 -1.26 -0.97 121.20 123.55 1b9m s ILE 206 Ca 0.14 0.69 -0.30 0.00 0.00 0.00 0.00 60.65 61.19 1b9m s ILE 206 Cb 0.04 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1b9m s ILE 206 CO -0.04 0.50 1.46 -0.63 0.00 0.00 0.00 174.94 176.24 1b9m s ILE 207 N -0.46 3.81 -0.33 2.92 1.01 0.01 -0.42 121.20 127.74 1b9m s ILE 207 Ca 0.21 1.06 0.22 0.00 0.00 0.00 0.00 60.65 62.14 1b9m s ILE 207 Cb -0.15 -3.68 -0.30 0.00 0.01 0.00 0.00 42.46 38.33 1b9m s ILE 207 CO 0.09 -0.06 0.61 -1.54 0.00 0.00 0.00 174.94 174.04 1b9m n SER 208 N 6.36 0.33 -3.63 3.58 3.41 -0.47 -0.52 113.62 122.68 1b9m n SER 208 Ca 0.15 -0.31 -0.12 0.00 -0.26 0.00 0.00 58.87 58.33 1b9m n SER 208 Cb 0.44 1.69 -0.07 0.00 -0.26 0.00 0.00 64.21 66.00 1b9m n SER 208 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1b9m s HIS 209 N -3.35 -0.63 -0.03 7.33 5.65 -1.18 -4.90 115.29 118.19 1b9m s HIS 209 Ca -0.03 1.52 0.03 0.00 0.25 0.00 0.00 55.06 56.82 1b9m s HIS 209 Cb 0.15 0.32 0.00 0.00 -1.18 0.00 0.00 32.58 31.87 1b9m s HIS 209 CO 0.89 -0.31 -0.10 0.42 -0.65 0.00 0.00 174.74 175.00 1b9m s ILE 210 N 0.25 0.83 -0.22 0.89 1.01 -1.26 -1.61 121.20 121.09 1b9m s ILE 210 Ca 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1b9m s ILE 210 Cb -0.05 -0.73 0.06 0.00 0.01 0.00 0.00 42.46 41.75 1b9m s ILE 210 CO -0.02 0.26 -0.01 -0.70 0.00 0.00 0.00 174.94 174.46 1b9m s GLU 211 N 0.20 1.20 -0.24 2.79 2.56 -0.63 -4.99 118.70 119.59 1b9m s GLU 211 Ca -0.03 -0.75 -0.13 0.00 0.00 0.00 0.00 54.97 54.06 1b9m s GLU 211 Cb -0.09 -2.38 -0.04 0.00 2.00 0.00 0.00 34.13 33.61 1b9m s GLU 211 CO 0.01 -0.62 0.28 1.03 -0.56 0.00 0.00 175.26 175.39 1b9m s ARG 212 N 1.59 4.07 0.00 4.30 0.52 -1.26 -1.15 118.95 127.02 1b9m s ARG 212 Ca -0.04 -0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.09 1b9m s ARG 212 Cb -0.18 -3.59 0.00 0.00 0.52 0.00 0.00 34.95 31.70 1b9m s ARG 212 CO -0.07 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.58 1b9m n GLY 213 N 4.41 2.50 0.12 -3.53 0.00 0.03 -5.02 105.19 103.70 1b9m n GLY 213 Ca -0.11 -2.13 -0.03 0.00 0.00 0.00 0.00 46.02 43.75 1b9m n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b9m h ALA 214 N 0.46 0.77 0.00 4.61 0.00 -2.03 -3.39 119.26 119.68 1b9m h ALA 214 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1b9m h ALA 214 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1b9m h ALA 214 CO 0.00 0.90 -0.78 0.39 0.00 0.00 0.00 179.25 179.76 1b9m n GLU 215 N -3.63 2.31 -4.33 0.00 1.02 -1.26 -4.90 120.64 109.84 1b9m n GLU 215 Ca -0.01 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.85 1b9m n GLU 215 Cb 0.71 -0.89 -0.11 0.00 -0.02 0.00 0.00 31.44 31.13 1b9m n GLU 215 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1b9m s GLN 216 N -1.78 1.75 -0.10 3.49 -1.52 -1.26 -0.60 119.66 119.64 1b9m s GLN 216 Ca 0.00 -1.29 0.01 0.00 -1.95 0.00 0.00 55.36 52.13 1b9m s GLN 216 Cb 0.00 -2.04 0.02 0.00 -0.22 0.00 0.00 33.01 30.76 1b9m s GLN 216 CO 0.00 0.45 -0.11 0.00 -0.25 0.00 0.00 175.29 175.38 1b9m s GLU 218 N 1.20 4.22 -0.19 0.00 2.12 -0.30 -1.25 118.70 124.51 1b9m s GLU 218 Ca -0.04 0.46 -0.03 0.00 0.36 0.00 0.00 54.97 55.72 1b9m s GLU 218 Cb -0.14 -3.55 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 1b9m s GLU 218 CO -0.03 -0.12 -0.05 0.08 -0.54 0.00 0.00 175.26 174.60 1b9m s VAL 219 N 1.53 3.48 0.52 3.70 1.01 0.45 -1.60 120.40 129.49 1b9m s VAL 219 Ca 0.25 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1b9m s VAL 219 Cb -0.15 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.71 1b9m s VAL 219 CO 0.10 0.45 0.48 -0.76 0.00 0.00 0.00 175.10 175.38 1b9m s LEU 220 N 1.01 2.94 -0.14 3.92 1.43 -0.63 -0.75 118.68 126.45 1b9m s LEU 220 Ca 0.00 -1.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.06 1b9m s LEU 220 Cb -0.15 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 1b9m s LEU 220 CO 0.00 -1.06 -0.17 0.00 0.23 0.00 0.00 176.35 175.35 1b9m s ALA 222 N -2.69 2.44 0.51 4.21 0.00 0.45 -1.36 121.76 125.32 1b9m s ALA 222 Ca 0.43 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1b9m s ALA 222 Cb -0.03 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 21.97 1b9m s ALA 222 CO 0.27 0.04 0.71 -0.51 0.00 0.00 0.00 175.76 176.26 1b9m s LEU 223 N 0.71 3.40 0.18 0.00 1.43 0.28 -4.06 118.68 120.62 1b9m s LEU 223 Ca -0.08 -0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 1b9m s LEU 223 Cb -0.16 -2.82 0.17 0.00 0.03 0.00 0.00 46.19 43.41 1b9m s LEU 223 CO 0.01 -1.02 1.67 -0.65 0.23 0.00 0.00 176.35 176.60 1b9m h PRO 224 N 0.24 0.07 -0.14 1.29 0.11 -1.94 -2.98 132.00 128.65 1b9m h PRO 224 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1b9m h PRO 224 Cb 1.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1b9m h PRO 224 CO 0.50 0.04 0.00 -3.47 -0.21 0.00 0.00 178.00 174.87 1b9m n ASP 225 N -5.27 1.55 0.00 -2.05 2.03 -1.26 -4.79 116.55 106.75 1b9m n ASP 225 Ca 0.05 -1.67 0.00 0.00 0.52 0.00 0.00 54.79 53.68 1b9m n ASP 225 Cb 0.26 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1b9m n ASP 225 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b9m n GLY 226 N 1.11 0.92 3.77 0.27 0.00 -1.12 -5.06 105.19 105.08 1b9m n GLY 226 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1b9m n GLY 226 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b9m s GLN 227 N -0.88 4.27 -0.13 1.61 -0.21 -1.25 -4.85 119.66 118.21 1b9m s GLN 227 Ca 0.00 1.74 0.02 0.00 0.02 0.00 0.00 55.36 57.14 1b9m s GLN 227 Cb 0.00 -2.80 0.01 0.00 1.00 0.00 0.00 33.01 31.23 1b9m s GLN 227 CO 0.00 -0.11 -0.18 0.95 -2.12 0.00 0.00 175.29 173.83 1b9m s THR 228 N -1.41 1.77 0.23 -0.19 -4.23 -1.26 0.10 115.64 110.65 1b9m s THR 228 Ca 0.53 -0.80 -0.29 0.00 -1.18 0.00 0.00 61.69 59.96 1b9m s THR 228 Cb -0.29 -1.59 -0.09 0.00 1.34 0.00 0.00 72.50 71.87 1b9m s THR 228 CO 0.36 0.49 0.91 -0.22 -0.54 0.00 0.00 174.62 175.62 1b9m s LEU 229 N 0.96 4.61 -0.09 4.79 1.98 -1.26 -4.91 118.68 124.76 1b9m s LEU 229 Ca -0.05 1.88 0.03 0.00 -2.89 0.00 0.00 54.13 53.10 1b9m s LEU 229 Cb -0.15 -3.58 -0.01 0.00 0.66 0.00 0.00 46.19 43.11 1b9m s LEU 229 CO -0.03 0.15 -0.19 0.00 -1.89 0.00 0.00 176.35 174.39 1b9m s ALA 231 N 0.05 0.69 -0.23 0.00 0.00 0.07 -4.34 121.76 118.00 1b9m s ALA 231 Ca -0.08 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1b9m s ALA 231 Cb -0.15 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 22.99 1b9m s ALA 231 CO 0.05 0.06 -0.07 0.99 0.00 0.00 0.00 175.76 176.80 1b9m s THR 232 N -1.00 1.60 0.02 0.00 2.01 -0.71 -0.41 115.64 117.14 1b9m s THR 232 Ca -0.05 -1.20 0.08 0.00 0.31 0.00 0.00 61.69 60.84 1b9m s THR 232 Cb -0.08 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 1b9m s THR 232 CO 0.01 -0.04 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.96 1b9m s VAL 233 N 1.38 2.25 0.13 3.82 1.01 -0.38 -4.27 120.40 124.34 1b9m s VAL 233 Ca -0.05 -1.25 -0.35 0.00 0.00 0.00 0.00 61.98 60.33 1b9m s VAL 233 Cb -0.18 -1.86 -0.16 0.00 0.00 0.00 0.00 36.38 34.18 1b9m s VAL 233 CO -0.06 0.44 1.29 -2.65 0.00 0.00 0.00 175.10 174.11 1b9m n PRO 234 N 1.96 1.25 -0.34 2.72 -0.02 -1.26 0.08 135.00 139.40 1b9m n PRO 234 Ca -0.17 0.45 0.06 0.00 -2.02 0.00 0.00 63.50 61.83 1b9m n PRO 234 Cb 0.52 -2.05 0.22 0.00 -0.02 0.00 0.00 33.50 32.17 1b9m n PRO 234 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1b9m h VAL 235 N 3.09 0.89 0.00 -1.45 -1.51 -1.12 -1.22 116.25 114.92 1b9m h VAL 235 Ca -0.46 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 1b9m h VAL 235 Cb 1.33 -0.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 1b9m h VAL 235 CO 0.75 0.16 0.00 0.59 -1.23 0.00 0.00 177.57 177.85 1b9m n ASN 236 N -4.68 0.00 -0.46 4.19 5.03 -1.26 -2.14 115.26 115.93 1b9m n ASN 236 Ca 0.18 0.49 0.14 0.00 0.87 0.00 0.00 54.58 56.25 1b9m n ASN 236 Cb 0.35 -0.50 0.48 0.00 -1.02 0.00 0.00 39.78 39.10 1b9m n ASN 236 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1b9m n GLU 237 N -1.50 1.55 -0.01 3.52 1.02 -0.46 -3.92 120.64 120.85 1b9m n GLU 237 Ca 0.04 -0.93 0.01 0.00 -0.02 0.00 0.00 57.16 56.26 1b9m n GLU 237 Cb 0.21 -1.48 0.01 0.00 -0.02 0.00 0.00 31.44 30.16 1b9m n GLU 237 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b9m n ALA 238 N 0.09 2.14 -0.36 0.62 0.00 -0.91 -4.81 120.51 117.28 1b9m n ALA 238 Ca 0.18 -0.89 0.09 0.00 0.00 0.00 0.00 53.44 52.81 1b9m n ALA 238 Cb 0.36 -0.05 0.26 0.00 0.00 0.00 0.00 19.45 20.03 1b9m n ALA 238 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1b9m h THR 239 N 0.23 0.87 -0.00 0.00 1.35 -1.67 -2.52 112.91 111.17 1b9m h THR 239 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1b9m h THR 239 Cb 0.41 -0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.68 1b9m h THR 239 CO 0.00 0.17 -0.37 -1.54 -0.25 0.00 0.00 175.52 173.53 1b9m n SER 240 N -4.65 0.52 -4.80 5.36 3.41 -1.26 -4.95 113.62 107.25 1b9m n SER 240 Ca 0.20 -0.28 -0.34 0.00 -0.26 0.00 0.00 58.87 58.18 1b9m n SER 240 Cb 0.40 0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 1b9m n SER 240 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1b9m s LEU 241 N -2.88 3.98 0.01 1.04 1.43 -0.95 -5.08 118.68 116.23 1b9m s LEU 241 Ca 0.15 1.84 0.01 0.00 -1.03 0.00 0.00 54.13 55.10 1b9m s LEU 241 Cb 0.18 -4.44 -0.01 0.00 0.03 0.00 0.00 46.19 41.95 1b9m s LEU 241 CO 0.63 -0.49 -0.04 -1.10 0.23 0.00 0.00 176.35 175.59 1b9m s GLN 242 N -2.98 0.28 0.22 1.70 -0.21 -1.26 -5.09 119.66 112.32 1b9m s GLN 242 Ca 0.62 -0.32 -0.32 0.00 0.02 0.00 0.00 55.36 55.36 1b9m s GLN 242 Cb -0.14 -0.14 -0.13 0.00 1.00 0.00 0.00 33.01 33.59 1b9m s GLN 242 CO 0.19 0.03 1.52 0.94 -2.12 0.00 0.00 175.29 175.85 1b9m n GLN 243 N 2.43 2.23 0.00 2.91 7.27 -1.26 -1.97 117.38 128.99 1b9m n GLN 243 Ca -0.17 0.80 0.00 0.00 0.07 0.00 0.00 57.00 57.70 1b9m n GLN 243 Cb 0.57 -2.53 0.00 0.00 2.41 0.00 0.00 30.24 30.69 1b9m n GLN 243 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1b9m n GLY 244 N 2.76 2.91 3.76 1.69 0.00 0.32 -5.00 105.19 111.63 1b9m n GLY 244 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1b9m n GLY 244 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b9m s GLN 245 N -0.92 4.59 -0.00 1.61 0.74 -0.83 -4.65 119.66 120.20 1b9m s GLN 245 Ca 0.00 1.64 -0.28 0.00 0.05 0.00 0.00 55.36 56.77 1b9m s GLN 245 Cb 0.00 -3.05 -0.04 0.00 1.10 0.00 0.00 33.01 31.02 1b9m s GLN 245 CO 0.00 0.22 0.89 1.21 -0.55 0.00 0.00 175.29 177.06 1b9m s ASN 246 N -1.14 7.27 0.28 6.67 2.47 -1.26 -0.81 114.94 128.42 1b9m s ASN 246 Ca 0.47 1.54 0.03 0.00 0.42 0.00 0.00 52.86 55.31 1b9m s ASN 246 Cb -0.28 -2.52 -0.04 0.00 -1.45 0.00 0.00 41.25 36.96 1b9m s ASN 246 CO 0.35 -0.19 0.16 0.54 -3.72 0.00 0.00 177.10 174.24 1b9m s VAL 247 N 0.79 0.25 -0.15 -5.21 0.11 -0.15 -4.93 120.40 111.12 1b9m s VAL 247 Ca 0.47 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.53 1b9m s VAL 247 Cb -0.20 -2.52 0.02 0.00 -1.53 0.00 0.00 36.38 32.14 1b9m s VAL 247 CO 0.25 0.00 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.95 1b9m s THR 248 N -3.70 1.84 0.01 5.04 2.01 -0.18 -1.52 115.64 119.14 1b9m s THR 248 Ca 0.37 -0.82 -0.21 0.00 0.31 0.00 0.00 61.69 61.33 1b9m s THR 248 Cb 0.05 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 1b9m s THR 248 CO 0.17 0.51 0.63 0.00 -0.69 0.00 0.00 174.62 175.24 1b9m s ALA 249 N 1.15 3.46 0.02 7.40 0.00 0.21 -1.50 121.76 132.51 1b9m s ALA 249 Ca -0.00 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1b9m s ALA 249 Cb -0.14 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 1b9m s ALA 249 CO -0.07 0.14 -0.04 1.52 0.00 0.00 0.00 175.76 177.31 1b9m s TYR 250 N -0.16 0.36 0.01 0.00 -0.85 -0.39 0.44 117.35 116.76 1b9m s TYR 250 Ca 0.33 -0.37 -0.28 0.00 -0.52 0.00 0.00 57.07 56.23 1b9m s TYR 250 Cb -0.19 -0.23 0.09 0.00 0.38 0.00 0.00 41.96 42.01 1b9m s TYR 250 CO 0.18 -0.10 0.77 -0.59 -1.52 0.00 0.00 175.55 174.29 1b9m s PHE 251 N -1.01 -0.49 0.49 -3.49 -0.12 -1.05 -0.61 117.98 111.70 1b9m s PHE 251 Ca -0.09 0.55 -0.20 0.00 -0.05 0.00 0.00 56.93 57.14 1b9m s PHE 251 Cb -0.07 0.50 -0.08 0.00 -0.63 0.00 0.00 43.02 42.73 1b9m s PHE 251 CO -0.00 -0.62 1.04 -0.80 -0.05 0.00 0.00 175.22 174.79 1b9m s ASN 252 N -2.01 6.32 0.46 1.98 -0.87 -1.26 -1.99 114.94 117.57 1b9m s ASN 252 Ca -0.01 1.93 0.17 0.00 -1.57 0.00 0.00 52.86 53.38 1b9m s ASN 252 Cb -0.01 -2.56 1.09 0.00 -0.02 0.00 0.00 41.25 39.76 1b9m s ASN 252 CO -0.04 -0.80 2.00 0.00 -2.57 0.00 0.00 177.10 175.69 1b9m h ALA 253 N 1.53 1.57 -0.30 0.60 0.00 -1.90 -2.12 119.26 118.64 1b9m h ALA 253 Ca -0.49 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1b9m h ALA 253 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1b9m h ALA 253 CO 0.59 0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.67 1b9m n ASP 254 N -4.14 1.64 0.05 0.00 3.85 -1.26 -1.80 116.55 114.90 1b9m n ASP 254 Ca -0.02 -1.97 0.06 0.00 -0.71 0.00 0.00 54.79 52.15 1b9m n ASP 254 Cb 0.25 -0.20 -0.07 0.00 -1.35 0.00 0.00 41.12 39.76 1b9m n ASP 254 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1b9m n SER 255 N 0.39 0.67 -4.78 -1.12 7.64 -0.80 -4.91 113.62 110.70 1b9m n SER 255 Ca 0.11 0.27 -0.38 0.00 1.01 0.00 0.00 58.87 59.88 1b9m n SER 255 Cb 0.26 0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 64.04 1b9m n SER 255 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1b9m s VAL 256 N -3.19 4.35 -0.17 0.44 1.01 -1.19 -4.80 120.40 116.86 1b9m s VAL 256 Ca -0.03 1.67 -0.06 0.00 0.00 0.00 0.00 61.98 63.56 1b9m s VAL 256 Cb 0.10 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1b9m s VAL 256 CO 0.82 0.37 0.03 -0.63 0.00 0.00 0.00 175.10 175.69 1b9m s ILE 257 N -1.34 4.53 0.06 2.22 1.01 -0.86 -4.81 121.20 122.02 1b9m s ILE 257 Ca 0.41 -0.13 0.09 0.00 0.00 0.00 0.00 60.65 61.02 1b9m s ILE 257 Cb -0.21 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 1b9m s ILE 257 CO 0.25 0.49 -0.24 -0.51 0.00 0.00 0.00 174.94 174.93 1b9m s ILE 258 N 0.23 2.37 0.03 2.92 2.07 -1.26 -0.66 121.20 126.90 1b9m s ILE 258 Ca 0.02 -1.41 -0.00 0.00 -1.41 0.00 0.00 60.65 57.85 1b9m s ILE 258 Cb -0.13 -1.98 -0.03 0.00 0.13 0.00 0.00 42.46 40.46 1b9m s ILE 258 CO 0.01 0.29 -0.03 0.00 -1.91 0.00 0.00 174.94 173.30 1b9m s ALA 259 N -0.90 0.28 0.13 1.50 0.00 0.30 -4.95 121.76 118.11 1b9m s ALA 259 Ca 0.13 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.33 1b9m s ALA 259 Cb -0.10 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1b9m s ALA 259 CO 0.04 -0.23 -0.13 0.95 0.00 0.00 0.00 175.76 176.39 1b9m s THR 260 N -2.32 1.29 -0.26 0.00 -4.23 -1.26 -0.04 115.64 108.82 1b9m s THR 260 Ca -0.08 -1.81 -0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1b9m s THR 260 Cb -0.04 -1.61 0.04 0.00 1.34 0.00 0.00 72.50 72.23 1b9m s THR 260 CO -0.04 -0.51 -0.07 -0.76 -0.54 0.00 0.00 174.62 172.70 1b9m s LEU 261 N -2.66 3.33 0.00 4.79 1.43 -1.26 -5.05 118.68 119.26 1b9m s LEU 261 Ca 0.11 -1.08 0.25 0.00 -1.03 0.00 0.00 54.13 52.37 1b9m s LEU 261 Cb -0.03 -1.63 0.34 0.00 0.03 0.00 0.00 46.19 44.90 1b9m s LEU 261 CO 0.03 -0.16 1.34 0.00 0.23 0.00 0.00 176.35 177.79