#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h05 n LYS 2 N 0.00 0.64 -3.92 0.03 3.00 -1.26 -4.36 118.16 112.28 3h05 n LYS 2 Ca 0.00 0.20 -0.35 0.00 -0.00 0.00 0.00 58.31 58.16 3h05 n LYS 2 Cb 0.00 -1.53 -0.14 0.00 0.00 0.00 0.00 35.03 33.36 3h05 n LYS 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3h05 s LYS 3 N -2.52 2.68 -0.14 1.64 -0.14 -1.26 -0.19 119.74 119.81 3h05 s LYS 3 Ca -0.35 -1.09 0.02 0.00 -1.36 0.00 0.00 55.97 53.19 3h05 s LYS 3 Cb 0.10 -3.10 0.01 0.00 -1.68 0.00 0.00 37.83 33.16 3h05 s LYS 3 CO 0.58 -0.50 -0.21 0.42 -0.76 0.00 0.00 175.35 174.89 3h05 s ILE 4 N 1.31 2.14 -0.12 2.17 1.01 -0.71 -0.57 121.20 126.43 3h05 s ILE 4 Ca -0.02 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 3h05 s ILE 4 Cb -0.18 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3h05 s ILE 4 CO -0.02 0.54 0.04 0.00 0.00 0.00 0.00 174.94 175.50 3h05 s ALA 5 N 0.85 3.41 -0.13 9.38 0.00 -0.02 -0.64 121.76 134.61 3h05 s ALA 5 Ca -0.06 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.17 3h05 s ALA 5 Cb -0.15 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.28 3h05 s ALA 5 CO -0.02 0.46 -0.21 -1.50 0.00 0.00 0.00 175.76 174.48 3h05 s ILE 6 N -0.48 1.99 -0.30 0.00 2.07 0.49 -0.20 121.20 124.77 3h05 s ILE 6 Ca 0.09 -0.94 0.02 0.00 -1.41 0.00 0.00 60.65 58.42 3h05 s ILE 6 Cb -0.12 -1.76 0.07 0.00 0.13 0.00 0.00 42.46 40.79 3h05 s ILE 6 CO 0.02 0.54 -0.02 0.12 -1.91 0.00 0.00 174.94 173.68 3h05 s PHE 7 N 0.80 3.45 -0.01 3.50 5.36 0.36 -0.68 117.98 130.77 3h05 s PHE 7 Ca -0.08 -2.49 -0.15 0.00 -0.96 0.00 0.00 56.93 53.25 3h05 s PHE 7 Cb -0.16 -2.36 -0.06 0.00 -0.34 0.00 0.00 43.02 40.11 3h05 s PHE 7 CO -0.01 -0.90 0.42 0.20 -1.46 0.00 0.00 175.22 173.47 3h05 s GLY 8 N 1.10 2.48 0.17 13.12 0.00 -1.26 -1.52 107.32 121.42 3h05 s GLY 8 Ca -0.01 -0.20 -0.23 0.00 0.00 0.00 0.00 44.72 44.28 3h05 s GLY 8 CO -0.05 0.22 0.66 -0.45 0.00 0.00 0.00 173.10 173.47 3h05 s SER 9 N -0.93 -0.48 0.41 1.64 0.15 -1.08 -4.97 113.70 108.43 3h05 s SER 9 Ca 0.24 -0.14 0.12 0.00 0.70 0.00 0.00 55.95 56.87 3h05 s SER 9 Cb -0.17 0.61 0.86 0.00 -1.71 0.00 0.00 66.02 65.61 3h05 s SER 9 CO 0.13 -1.02 1.93 0.00 1.20 0.00 0.00 173.24 175.48 3h05 h ALA 10 N 2.00 1.56 -6.72 5.45 0.00 -1.90 -0.98 119.26 118.67 3h05 h ALA 10 Ca -0.30 -0.22 -0.54 0.00 0.00 0.00 0.00 54.91 53.86 3h05 h ALA 10 Cb 1.29 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.04 3h05 h ALA 10 CO 0.34 0.32 -0.99 1.19 0.00 0.00 0.00 179.25 180.11 3h05 n PHE 11 N -4.26 -1.61 -3.04 0.00 3.72 -1.26 -4.47 117.46 106.55 3h05 n PHE 11 Ca -0.02 0.25 -0.23 0.00 -0.05 0.00 0.00 57.45 57.40 3h05 n PHE 11 Cb 0.29 -2.96 -0.03 0.00 -0.94 0.00 0.00 39.48 35.83 3h05 n PHE 11 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3h05 n ASN 12 N -2.32 2.94 -4.97 4.37 5.15 -1.26 -3.16 115.26 116.02 3h05 n ASN 12 Ca -0.12 -3.40 -0.22 0.00 -0.60 0.00 0.00 54.58 50.24 3h05 n ASN 12 Cb 0.58 -0.58 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 3h05 n ASN 12 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3h05 s PRO 13 N -3.04 2.98 0.34 1.20 0.04 -1.26 -4.74 135.00 130.52 3h05 s PRO 13 Ca 0.45 -0.67 -0.27 0.00 0.04 0.00 0.00 61.00 60.55 3h05 s PRO 13 Cb 0.31 -2.60 -0.12 0.00 0.04 0.00 0.00 34.50 32.13 3h05 s PRO 13 CO -0.11 -0.28 1.20 -0.35 0.04 0.00 0.00 177.00 177.49 3h05 n PRO 14 N -2.03 1.87 -4.30 0.56 -0.04 -1.19 -4.97 135.00 124.90 3h05 n PRO 14 Ca 0.02 0.66 -0.18 0.00 -0.04 0.00 0.00 63.50 63.96 3h05 n PRO 14 Cb 0.58 -2.20 -0.09 0.00 -0.04 0.00 0.00 33.50 31.75 3h05 n PRO 14 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3h05 s SER 15 N -0.42 1.37 0.43 3.54 1.04 -1.26 -4.75 113.70 113.64 3h05 s SER 15 Ca 0.57 -1.61 0.30 0.00 0.48 0.00 0.00 55.95 55.69 3h05 s SER 15 Cb -0.59 0.46 1.39 0.00 0.10 0.00 0.00 66.02 67.38 3h05 s SER 15 CO 0.61 -0.95 1.90 -0.07 0.98 0.00 0.00 173.24 175.71 3h05 h LEU 16 N 2.25 0.00 0.12 2.42 3.38 -1.50 -2.04 115.31 119.93 3h05 h LEU 16 Ca -0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3h05 h LEU 16 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3h05 h LEU 16 CO 0.46 0.00 -0.06 1.23 0.09 0.00 0.00 178.44 180.16 3h05 h GLY 17 N 1.35 -0.18 0.92 0.83 0.00 -1.81 -1.52 103.07 102.67 3h05 h GLY 17 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.41 3h05 h GLY 17 CO 0.00 -0.06 0.41 0.45 0.00 0.00 0.00 176.54 177.33 3h05 h HIS 18 N -0.33 0.77 -1.00 5.60 3.86 -1.72 -2.58 115.15 119.74 3h05 h HIS 18 Ca -0.02 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 3h05 h HIS 18 Cb 0.27 -0.25 -0.07 0.00 1.06 0.00 0.00 27.41 28.42 3h05 h HIS 18 CO -0.02 0.46 0.65 -0.22 0.86 0.00 0.00 177.93 179.66 3h05 h LYS 19 N 0.81 1.13 0.00 2.45 3.64 -1.30 -0.81 116.57 122.50 3h05 h LYS 19 Ca 0.25 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3h05 h LYS 19 Cb -0.03 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.54 3h05 h LYS 19 CO -0.08 0.75 -0.05 0.66 -2.27 0.00 0.00 179.45 178.45 3h05 h SER 20 N 1.17 0.00 0.00 4.20 4.64 -0.86 -0.40 113.55 122.30 3h05 h SER 20 Ca 0.43 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.69 3h05 h SER 20 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3h05 h SER 20 CO -0.17 0.05 -0.35 0.58 -0.87 0.00 0.00 176.83 176.06 3h05 h VAL 21 N 0.00 1.26 -0.60 0.95 2.07 -1.27 -3.39 116.25 115.27 3h05 h VAL 21 Ca -0.00 -2.07 -0.04 0.00 0.82 0.00 0.00 66.70 65.41 3h05 h VAL 21 Cb 0.13 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 3h05 h VAL 21 CO 0.01 0.43 0.21 0.40 0.02 0.00 0.00 177.57 178.63 3h05 h ILE 22 N -1.00 1.22 0.00 4.57 2.04 -0.75 -1.86 117.51 121.72 3h05 h ILE 22 Ca -0.09 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3h05 h ILE 22 Cb 0.93 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3h05 h ILE 22 CO -0.05 0.28 0.00 -1.84 0.00 0.00 0.00 178.15 176.54 3h05 n GLU 23 N -4.30 0.12 0.00 2.37 0.28 -0.20 -2.04 120.64 116.87 3h05 n GLU 23 Ca 0.05 0.38 0.15 0.00 -0.16 0.00 0.00 57.16 57.58 3h05 n GLU 23 Cb 0.19 -1.74 0.81 0.00 1.43 0.00 0.00 31.44 32.13 3h05 n GLU 23 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3h05 n SER 24 N -1.96 0.34 -1.45 -1.84 3.41 -0.70 -4.24 113.62 107.18 3h05 n SER 24 Ca 0.02 -0.95 -0.09 0.00 -0.26 0.00 0.00 58.87 57.59 3h05 n SER 24 Cb 0.19 -0.04 0.20 0.00 -0.26 0.00 0.00 64.21 64.31 3h05 n SER 24 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h05 n LEU 25 N -0.80 4.84 0.30 1.04 4.77 -0.87 -4.67 117.00 121.62 3h05 n LEU 25 Ca 0.21 -3.68 0.18 0.00 -0.03 0.00 0.00 56.01 52.69 3h05 n LEU 25 Cb 0.19 -0.69 0.92 0.00 -2.33 0.00 0.00 43.42 41.51 3h05 n LEU 25 CO 0.19 1.17 1.07 0.77 -1.33 0.00 0.00 177.39 179.26 3h05 h SER 26 N 1.10 0.00 0.67 -1.43 4.64 -1.80 -1.68 113.55 115.05 3h05 h SER 26 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3h05 h SER 26 Cb 1.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.07 3h05 h SER 26 CO 0.57 0.03 -0.03 0.00 -0.87 0.00 0.00 176.83 176.54 3h05 n HIS 27 N -3.27 0.00 -3.14 4.77 -0.00 -1.26 -4.81 115.22 107.51 3h05 n HIS 27 Ca -0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.36 3h05 n HIS 27 Cb 0.19 -0.33 -0.06 0.00 -0.00 0.00 0.00 29.99 29.78 3h05 n HIS 27 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3h05 s PHE 28 N -2.69 3.50 0.22 -1.40 0.08 -0.63 -4.98 117.98 112.07 3h05 s PHE 28 Ca 0.24 1.27 0.05 0.00 0.12 0.00 0.00 56.93 58.61 3h05 s PHE 28 Cb 0.20 -2.55 0.18 0.00 -0.57 0.00 0.00 43.02 40.27 3h05 s PHE 28 CO 0.49 0.21 1.51 -0.44 -0.10 0.00 0.00 175.22 176.89 3h05 h ASP 29 N 2.80 0.21 -3.50 1.36 3.32 -1.15 -3.45 116.42 116.01 3h05 h ASP 29 Ca -0.48 -0.14 -0.16 0.00 0.02 0.00 0.00 57.03 56.28 3h05 h ASP 29 Cb 1.18 -0.06 -0.27 0.00 0.22 0.00 0.00 39.33 40.40 3h05 h ASP 29 CO 0.65 0.84 -0.40 -0.22 -1.72 0.00 0.00 179.24 178.40 3h05 s LEU 30 N -7.68 0.45 -0.19 1.55 2.96 -1.07 -4.78 118.68 109.93 3h05 s LEU 30 Ca -0.03 0.64 0.01 0.00 -0.22 0.00 0.00 54.13 54.53 3h05 s LEU 30 Cb 0.11 0.99 0.03 0.00 0.50 0.00 0.00 46.19 47.82 3h05 s LEU 30 CO 0.80 -0.15 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.83 3h05 s VAL 31 N 0.89 1.89 -0.21 1.68 1.01 0.10 -0.84 120.40 124.92 3h05 s VAL 31 Ca -0.06 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 3h05 s VAL 31 Cb -0.07 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3h05 s VAL 31 CO -0.06 0.39 0.07 -0.76 0.00 0.00 0.00 175.10 174.74 3h05 s LEU 32 N 1.33 3.70 -0.38 3.92 1.43 0.72 -1.15 118.68 128.25 3h05 s LEU 32 Ca 0.02 -0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 52.95 3h05 s LEU 32 Cb -0.14 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.12 3h05 s LEU 32 CO -0.11 0.09 0.32 -0.76 0.23 0.00 0.00 176.35 176.13 3h05 s LEU 33 N 0.87 4.80 -0.46 1.79 1.43 -0.00 -0.49 118.68 126.62 3h05 s LEU 33 Ca 0.04 -0.62 -0.07 0.00 -1.03 0.00 0.00 54.13 52.44 3h05 s LEU 33 Cb -0.14 -2.23 0.12 0.00 0.03 0.00 0.00 46.19 43.97 3h05 s LEU 33 CO 0.03 -0.40 0.31 -0.70 0.23 0.00 0.00 176.35 175.82 3h05 s GLU 34 N 1.84 2.36 0.22 1.70 2.56 -0.57 -1.07 118.70 125.73 3h05 s GLU 34 Ca 0.08 -1.80 -0.30 0.00 0.00 0.00 0.00 54.97 52.95 3h05 s GLU 34 Cb -0.18 -3.84 -0.09 0.00 2.00 0.00 0.00 34.13 32.03 3h05 s GLU 34 CO 0.11 -1.16 1.24 -2.14 -0.56 0.00 0.00 175.26 172.74 3h05 s PRO 35 N 1.26 4.46 0.27 4.30 0.02 -1.26 -2.64 135.00 141.41 3h05 s PRO 35 Ca 0.07 1.97 -0.29 0.00 0.02 0.00 0.00 61.00 62.76 3h05 s PRO 35 Cb -0.25 -3.20 -0.09 0.00 0.02 0.00 0.00 34.50 30.98 3h05 s PRO 35 CO -0.02 -0.12 1.12 -1.54 -0.33 0.00 0.00 177.00 176.11 3h05 s SER 36 N 0.01 7.22 -0.89 2.53 1.04 -0.37 -4.90 113.70 118.34 3h05 s SER 36 Ca 0.53 2.28 -0.24 0.00 0.48 0.00 0.00 55.95 59.00 3h05 s SER 36 Cb -0.35 -2.63 0.05 0.00 0.10 0.00 0.00 66.02 63.20 3h05 s SER 36 CO 0.39 -0.19 1.32 -0.63 0.98 0.00 0.00 173.24 175.12 3h05 s ILE 37 N -1.01 3.98 0.00 -1.02 1.01 -1.26 -4.89 121.20 118.01 3h05 s ILE 37 Ca 0.46 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.66 3h05 s ILE 37 Cb -0.32 -4.95 0.00 0.00 0.01 0.00 0.00 42.46 37.19 3h05 s ILE 37 CO 0.41 -1.83 0.00 0.80 0.00 0.00 0.00 174.94 174.32 3h05 n MET 45 N 8.69 0.00 -3.43 2.79 0.00 -1.26 -4.99 117.12 118.92 3h05 n MET 45 Ca 0.20 0.00 -0.37 0.00 -0.00 0.00 0.00 57.70 57.52 3h05 n MET 45 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.65 3h05 n MET 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3h05 s LEU 46 N 0.00 4.29 0.97 -0.89 1.43 -1.26 -5.07 118.68 118.15 3h05 s LEU 46 Ca 0.00 0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 53.70 3h05 s LEU 46 Cb 0.00 -2.55 0.17 0.00 0.03 0.00 0.00 46.19 43.84 3h05 s LEU 46 CO 0.00 0.09 1.08 1.51 0.23 0.00 0.00 176.35 179.26 3h05 s ASP 47 N 0.30 2.76 0.11 2.29 1.47 -1.26 -4.75 116.67 117.59 3h05 s ASP 47 Ca 0.22 1.49 -0.22 0.00 1.18 0.00 0.00 52.55 55.23 3h05 s ASP 47 Cb -0.15 -2.16 -0.11 0.00 -0.34 0.00 0.00 42.92 40.17 3h05 s ASP 47 CO 0.08 -3.09 1.74 0.22 0.68 0.00 0.00 175.17 174.81 3h05 h TYR 48 N -1.86 0.04 -0.87 2.11 3.20 -1.94 -1.78 116.97 115.88 3h05 h TYR 48 Ca -0.52 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.39 3h05 h TYR 48 Cb 1.30 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.51 3h05 h TYR 48 CO 0.37 0.02 0.57 -1.35 -1.64 0.00 0.00 178.16 176.14 3h05 h PRO 49 N 0.07 1.06 -0.39 1.82 0.11 -2.00 -0.34 132.00 132.33 3h05 h PRO 49 Ca 0.04 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.99 3h05 h PRO 49 Cb 0.02 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 3h05 h PRO 49 CO -0.04 0.70 -0.14 0.97 -0.21 0.00 0.00 178.00 179.28 3h05 h ILE 50 N 1.09 1.28 -0.89 4.15 2.10 -1.89 -2.16 117.51 121.18 3h05 h ILE 50 Ca 0.35 -1.25 0.05 0.00 1.08 0.00 0.00 64.86 65.09 3h05 h ILE 50 Cb 0.03 1.28 -0.05 0.00 -1.09 0.00 0.00 36.82 36.98 3h05 h ILE 50 CO -0.10 0.42 0.58 0.03 -1.08 0.00 0.00 178.15 177.99 3h05 h ARG 51 N 0.58 1.04 -0.38 2.19 3.08 -0.84 0.12 114.38 120.17 3h05 h ARG 51 Ca 0.09 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3h05 h ARG 51 Cb 0.67 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3h05 h ARG 51 CO 0.05 0.69 0.19 0.00 -1.07 0.00 0.00 179.97 179.82 3h05 h LYS 53 N 0.47 1.18 -0.78 0.00 3.64 -0.75 -1.07 116.57 119.27 3h05 h LYS 53 Ca 0.13 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3h05 h LYS 53 Cb 0.11 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 3h05 h LYS 53 CO -0.02 0.88 0.47 -0.07 -2.27 0.00 0.00 179.45 178.44 3h05 h LEU 54 N 1.18 0.94 -0.59 5.20 3.38 -0.51 -1.54 115.31 123.37 3h05 h LEU 54 Ca 0.30 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 3h05 h LEU 54 Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3h05 h LEU 54 CO -0.05 0.73 0.12 0.58 0.09 0.00 0.00 178.44 179.91 3h05 h VAL 55 N 1.07 1.25 -0.62 1.22 2.07 -0.74 0.69 116.25 121.19 3h05 h VAL 55 Ca 0.28 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.87 3h05 h VAL 55 Cb -0.03 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3h05 h VAL 55 CO -0.05 0.35 0.39 0.44 0.02 0.00 0.00 177.57 178.72 3h05 h ASP 56 N 0.87 0.65 -0.53 0.57 3.32 -0.98 0.52 116.42 120.85 3h05 h ASP 56 Ca 0.18 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3h05 h ASP 56 Cb 0.39 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3h05 h ASP 56 CO 0.01 0.45 0.25 0.00 -1.72 0.00 0.00 179.24 178.23 3h05 h ALA 57 N 1.26 0.68 -0.39 3.45 0.00 -0.89 -1.95 119.26 121.43 3h05 h ALA 57 Ca 0.25 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3h05 h ALA 57 Cb -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3h05 h ALA 57 CO -0.09 0.25 0.14 0.35 0.00 0.00 0.00 179.25 179.91 3h05 h PHE 58 N 0.71 0.26 -0.62 0.00 3.57 -0.48 0.04 116.94 120.43 3h05 h PHE 58 Ca 0.18 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 3h05 h PHE 58 Cb 0.13 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 3h05 h PHE 58 CO -0.00 0.11 0.28 0.82 -2.23 0.00 0.00 178.31 177.28 3h05 h ILE 59 N 0.31 1.22 -0.31 1.41 2.04 -0.72 -0.73 117.51 120.72 3h05 h ILE 59 Ca 0.18 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.39 3h05 h ILE 59 Cb 0.15 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3h05 h ILE 59 CO -0.17 0.26 0.18 0.50 0.00 0.00 0.00 178.15 178.92 3h05 h LYS 60 N 0.86 0.35 -0.66 2.37 3.64 -0.97 -2.65 116.57 119.50 3h05 h LYS 60 Ca 0.21 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3h05 h LYS 60 Cb 0.16 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3h05 h LYS 60 CO -0.02 0.23 0.28 -0.44 -2.27 0.00 0.00 179.45 177.23 3h05 h ASP 61 N 0.36 0.90 0.30 4.20 3.32 -0.55 -2.86 116.42 122.09 3h05 h ASP 61 Ca 0.13 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 3h05 h ASP 61 Cb 0.01 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3h05 h ASP 61 CO -0.07 0.82 -0.37 0.24 -1.72 0.00 0.00 179.24 178.14 3h05 h MET 62 N 0.93 0.10 -2.53 3.56 2.86 -0.99 -3.47 114.93 115.40 3h05 h MET 62 Ca 0.22 -0.04 -0.40 0.00 -2.06 0.00 0.00 59.70 57.42 3h05 h MET 62 Cb 0.19 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 3h05 h MET 62 CO -0.02 0.47 -0.49 0.41 1.06 0.00 0.00 176.91 178.33 3h05 n GLY 63 N -0.37 -0.05 3.63 8.32 0.00 -1.01 -4.97 105.19 110.74 3h05 n GLY 63 Ca -0.02 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 3h05 n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h05 s LEU 64 N -5.56 4.08 0.52 0.99 1.43 -1.26 -4.99 118.68 113.90 3h05 s LEU 64 Ca 0.00 0.30 0.21 0.00 -1.03 0.00 0.00 54.13 53.61 3h05 s LEU 64 Cb 0.00 -2.37 1.39 0.00 0.03 0.00 0.00 46.19 45.24 3h05 s LEU 64 CO 0.00 -0.10 2.14 0.77 0.23 0.00 0.00 176.35 179.39 3h05 h SER 65 N 7.85 0.00 -0.10 2.29 4.64 -1.96 -2.85 113.55 123.42 3h05 h SER 65 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3h05 h SER 65 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3h05 h SER 65 CO 0.66 0.05 0.00 -0.46 -0.87 0.00 0.00 176.83 176.21 3h05 n ASN 66 N -4.21 1.69 -4.77 4.97 6.94 -1.26 -4.90 115.26 113.72 3h05 n ASN 66 Ca -0.03 -1.63 -0.36 0.00 -0.02 0.00 0.00 54.58 52.54 3h05 n ASN 66 Cb 0.14 -0.06 -0.07 0.00 -2.36 0.00 0.00 39.78 37.42 3h05 n ASN 66 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3h05 s VAL 67 N -1.88 5.43 0.03 3.53 1.01 -1.08 0.03 120.40 127.47 3h05 s VAL 67 Ca 0.35 0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.55 3h05 s VAL 67 Cb 0.19 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3h05 s VAL 67 CO 0.30 0.48 -0.03 -1.10 0.00 0.00 0.00 175.10 174.75 3h05 s GLN 68 N -0.00 0.42 0.09 2.72 -0.21 -0.30 -4.96 119.66 117.42 3h05 s GLN 68 Ca 0.10 -0.83 -0.27 0.00 0.02 0.00 0.00 55.36 54.39 3h05 s GLN 68 Cb -0.11 0.13 -0.06 0.00 1.00 0.00 0.00 33.01 33.97 3h05 s GLN 68 CO 0.00 -0.07 0.85 0.50 -2.12 0.00 0.00 175.29 174.45 3h05 s ARG 69 N -2.32 4.60 0.14 2.91 3.52 -1.26 -0.82 118.95 125.71 3h05 s ARG 69 Ca -0.08 1.24 0.07 0.00 -0.13 0.00 0.00 55.73 56.84 3h05 s ARG 69 Cb -0.04 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 3h05 s ARG 69 CO -0.04 0.30 -0.04 -1.54 -0.81 0.00 0.00 175.30 173.17 3h05 s SER 70 N -0.22 4.65 -0.14 -2.12 1.04 -0.24 -4.84 113.70 111.84 3h05 s SER 70 Ca 0.41 -0.37 0.17 0.00 0.48 0.00 0.00 55.95 56.65 3h05 s SER 70 Cb -0.22 -0.96 0.43 0.00 0.10 0.00 0.00 66.02 65.37 3h05 s SER 70 CO 0.26 0.13 1.19 -0.90 0.98 0.00 0.00 173.24 174.91 3h05 n ASP 71 N 0.28 1.67 -0.27 7.02 5.68 -1.26 -4.29 116.55 125.38 3h05 n ASP 71 Ca -0.11 -3.07 0.13 0.00 -0.50 0.00 0.00 54.79 51.23 3h05 n ASP 71 Cb 0.54 -0.43 0.39 0.00 -1.14 0.00 0.00 41.12 40.48 3h05 n ASP 71 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3h05 h LEU 72 N 1.18 0.63 -2.05 -2.12 3.38 -1.96 -1.50 115.31 112.88 3h05 h LEU 72 Ca -0.07 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3h05 h LEU 72 Cb 1.39 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 3h05 h LEU 72 CO 0.10 0.31 -0.04 -0.33 0.09 0.00 0.00 178.44 178.58 3h05 h GLU 73 N 0.67 0.00 -0.14 1.13 5.08 -1.90 -2.55 114.58 116.86 3h05 h GLU 73 Ca 0.45 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.83 3h05 h GLU 73 Cb 0.76 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3h05 h GLU 73 CO -0.21 0.04 0.02 1.96 -1.00 0.00 0.00 179.01 179.82 3h05 h GLN 74 N 0.00 0.08 0.00 2.33 4.20 -1.66 0.21 115.11 120.27 3h05 h GLN 74 Ca -0.00 -0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 3h05 h GLN 74 Cb 0.08 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3h05 h GLN 74 CO 0.01 0.05 -0.56 0.00 -0.67 0.00 0.00 178.83 177.65 3h05 h ALA 75 N 1.10 0.69 0.00 3.87 0.00 -1.64 -3.15 119.26 120.12 3h05 h ALA 75 Ca 0.06 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 3h05 h ALA 75 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3h05 h ALA 75 CO -0.08 0.70 -0.40 -0.07 0.00 0.00 0.00 179.25 179.40 3h05 h LEU 76 N 0.00 0.00 -9.42 0.00 3.38 -1.21 -3.53 115.31 104.52 3h05 h LEU 76 Ca -0.01 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.42 3h05 h LEU 76 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3h05 h LEU 76 CO 0.07 0.40 0.56 -0.31 0.09 0.00 0.00 178.44 179.26 3h05 s TYR 77 N -3.10 3.42 0.64 1.13 4.12 0.72 -4.90 117.35 119.38 3h05 s TYR 77 Ca 0.04 1.35 -0.12 0.00 0.02 0.00 0.00 57.07 58.36 3h05 s TYR 77 Cb 0.08 -3.36 -0.02 0.00 -1.52 0.00 0.00 41.96 37.13 3h05 s TYR 77 CO 0.72 -1.05 1.04 0.45 0.02 0.00 0.00 175.55 176.74 3h05 s SER 82 N 1.16 5.80 -0.37 2.29 0.15 -1.26 -5.10 113.70 116.38 3h05 s SER 82 Ca 0.57 1.59 -0.26 0.00 0.70 0.00 0.00 55.95 58.55 3h05 s SER 82 Cb -0.27 -2.50 0.01 0.00 -1.71 0.00 0.00 66.02 61.56 3h05 s SER 82 CO 0.27 -1.16 0.92 -0.69 1.20 0.00 0.00 173.24 173.78 3h05 s VAL 83 N -2.95 4.59 0.46 4.45 1.01 -1.26 -5.03 120.40 121.67 3h05 s VAL 83 Ca 0.58 1.18 -0.09 0.00 0.00 0.00 0.00 61.98 63.65 3h05 s VAL 83 Cb -0.13 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 3h05 s VAL 83 CO 0.50 -0.53 0.82 0.42 0.00 0.00 0.00 175.10 176.30 3h05 s THR 84 N 3.46 4.81 0.21 3.92 -4.23 -1.26 -4.94 115.64 117.60 3h05 s THR 84 Ca 0.38 0.54 -0.09 0.00 -1.18 0.00 0.00 61.69 61.33 3h05 s THR 84 Cb -0.12 -3.79 0.14 0.00 1.34 0.00 0.00 72.50 70.07 3h05 s THR 84 CO 0.19 -0.72 1.76 0.74 -0.54 0.00 0.00 174.62 176.06 3h05 h THR 85 N 0.62 0.84 -0.46 3.99 2.02 -1.96 -1.27 112.91 116.69 3h05 h THR 85 Ca -0.47 -0.17 0.07 0.00 0.77 0.00 0.00 66.41 66.62 3h05 h THR 85 Cb 1.19 0.30 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 3h05 h THR 85 CO 0.63 0.09 0.11 0.22 0.37 0.00 0.00 175.52 176.93 3h05 h TYR 86 N 0.49 0.17 -0.54 3.16 3.20 -1.94 -0.20 116.97 121.32 3h05 h TYR 86 Ca 0.30 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.13 3h05 h TYR 86 Cb 0.32 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3h05 h TYR 86 CO -0.13 0.02 0.06 0.00 -1.64 0.00 0.00 178.16 176.46 3h05 h ALA 87 N 1.35 1.09 -0.37 1.82 0.00 -1.78 -0.08 119.26 121.28 3h05 h ALA 87 Ca 0.23 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3h05 h ALA 87 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3h05 h ALA 87 CO -0.29 0.59 0.03 1.25 0.00 0.00 0.00 179.25 180.83 3h05 h LEU 88 N 0.83 0.62 -0.44 0.00 5.85 -0.63 -1.71 115.31 119.82 3h05 h LEU 88 Ca 0.17 -0.28 -0.15 0.00 0.84 0.00 0.00 57.88 58.45 3h05 h LEU 88 Cb 0.41 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3h05 h LEU 88 CO 0.01 0.75 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.45 3h05 h LEU 89 N 0.46 0.99 -0.86 2.25 3.38 -0.76 -1.66 115.31 119.11 3h05 h LEU 89 Ca 0.11 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.66 3h05 h LEU 89 Cb 0.41 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3h05 h LEU 89 CO 0.01 1.22 0.57 -0.08 0.09 0.00 0.00 178.44 180.25 3h05 h GLU 90 N 0.78 1.11 -0.17 1.13 4.81 -0.94 -0.80 114.58 120.50 3h05 h GLU 90 Ca 0.07 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 3h05 h GLU 90 Cb 0.92 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 3h05 h GLU 90 CO 0.09 0.74 -0.17 -0.22 -0.73 0.00 0.00 179.01 178.71 3h05 h LYS 91 N 1.15 0.41 -0.30 1.92 1.63 -1.03 -1.94 116.57 118.42 3h05 h LYS 91 Ca 0.32 -0.22 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 3h05 h LYS 91 Cb -0.11 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 3h05 h LYS 91 CO -0.08 0.78 -0.08 0.97 -3.45 0.00 0.00 179.45 177.60 3h05 h ILE 92 N 0.06 1.21 -0.45 2.00 6.09 -1.15 -1.36 117.51 123.91 3h05 h ILE 92 Ca 0.03 -0.91 -0.08 0.00 -1.37 0.00 0.00 64.86 62.53 3h05 h ILE 92 Cb 0.71 1.07 -0.02 0.00 0.47 0.00 0.00 36.82 39.05 3h05 h ILE 92 CO 0.04 0.30 -0.03 -0.61 -3.07 0.00 0.00 178.15 174.78 3h05 h GLN 93 N 0.45 0.75 -0.27 2.19 5.75 -1.02 -0.90 115.11 122.07 3h05 h GLN 93 Ca 0.09 -0.21 -0.11 0.00 -0.15 0.00 0.00 58.65 58.27 3h05 h GLN 93 Cb 0.42 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 3h05 h GLN 93 CO 0.02 0.79 -0.29 0.93 -2.65 0.00 0.00 178.83 177.63 3h05 h GLU 94 N 0.70 0.54 -0.24 1.69 5.08 -0.76 -2.62 114.58 118.98 3h05 h GLU 94 Ca 0.13 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.10 3h05 h GLU 94 Cb 0.48 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3h05 h GLU 94 CO 0.02 0.78 -0.52 0.82 -1.00 0.00 0.00 179.01 179.12 3h05 h ILE 95 N 0.47 1.30 -2.51 3.13 2.04 -0.84 -3.37 117.51 117.73 3h05 h ILE 95 Ca 0.06 -1.73 -0.60 0.00 1.00 0.00 0.00 64.86 63.59 3h05 h ILE 95 Cb 0.74 1.66 -0.41 0.00 -0.74 0.00 0.00 36.82 38.07 3h05 h ILE 95 CO 0.06 0.55 -0.67 -1.22 0.00 0.00 0.00 178.15 176.87 3h05 n TYR 96 N -3.99 2.76 0.24 1.37 4.01 -0.38 -4.97 117.16 116.20 3h05 n TYR 96 Ca -0.03 -4.09 0.08 0.00 -0.16 0.00 0.00 57.90 53.69 3h05 n TYR 96 Cb 0.60 -0.50 0.58 0.00 -0.31 0.00 0.00 39.34 39.71 3h05 n TYR 96 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3h05 h PRO 97 N 4.71 0.00 0.00 -0.72 0.11 -1.64 -2.03 132.00 132.44 3h05 h PRO 97 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3h05 h PRO 97 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3h05 h PRO 97 CO 0.72 0.14 -0.27 0.25 -0.21 0.00 0.00 178.00 178.63 3h05 n THR 98 N -4.19 0.16 -2.50 -1.15 -2.24 -1.26 -4.91 114.28 98.19 3h05 n THR 98 Ca -0.02 -0.10 -0.31 0.00 -2.27 0.00 0.00 64.05 61.34 3h05 n THR 98 Cb 0.22 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 3h05 n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h05 s ALA 99 N -3.05 3.17 -0.21 6.98 0.00 -0.76 -4.93 121.76 122.96 3h05 s ALA 99 Ca 0.11 0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 3h05 s ALA 99 Cb 0.16 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 3h05 s ALA 99 CO 0.63 -0.21 0.22 -0.51 0.00 0.00 0.00 175.76 175.89 3h05 s ASP 100 N -3.23 6.26 -0.13 0.00 1.01 0.73 -5.01 116.67 116.30 3h05 s ASP 100 Ca 0.56 0.29 -0.05 0.00 0.71 0.00 0.00 52.55 54.06 3h05 s ASP 100 Cb -0.10 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 3h05 s ASP 100 CO 0.34 0.08 0.04 -0.63 0.21 0.00 0.00 175.17 175.21 3h05 s ILE 101 N 0.79 4.66 -0.11 0.77 -1.09 -1.26 -1.74 121.20 123.22 3h05 s ILE 101 Ca 0.11 -0.10 0.03 0.00 -2.23 0.00 0.00 60.65 58.47 3h05 s ILE 101 Cb -0.13 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 3h05 s ILE 101 CO 0.03 0.55 -0.23 -0.89 -1.23 0.00 0.00 174.94 173.17 3h05 s THR 102 N -0.36 2.01 -0.24 2.92 2.01 0.19 -2.21 115.64 119.95 3h05 s THR 102 Ca 0.08 -0.98 -0.15 0.00 0.31 0.00 0.00 61.69 60.96 3h05 s THR 102 Cb -0.12 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 3h05 s THR 102 CO 0.02 0.55 0.37 0.12 -0.69 0.00 0.00 174.62 174.99 3h05 s PHE 103 N 0.50 3.30 -0.20 4.92 5.36 0.34 -0.38 117.98 131.83 3h05 s PHE 103 Ca -0.15 0.49 -0.17 0.00 -0.96 0.00 0.00 56.93 56.13 3h05 s PHE 103 Cb -0.17 -2.54 -0.04 0.00 -0.34 0.00 0.00 43.02 39.93 3h05 s PHE 103 CO 0.05 -0.13 0.45 0.08 -1.46 0.00 0.00 175.22 174.22 3h05 s VAL 104 N 1.72 5.16 0.19 3.12 1.01 0.14 -0.88 120.40 130.85 3h05 s VAL 104 Ca 0.16 0.82 0.02 0.00 0.00 0.00 0.00 61.98 62.98 3h05 s VAL 104 Cb -0.15 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 3h05 s VAL 104 CO 0.09 0.22 0.02 0.27 0.00 0.00 0.00 175.10 175.70 3h05 s ILE 105 N 1.43 0.62 0.60 2.22 -4.36 0.12 -4.18 121.20 117.64 3h05 s ILE 105 Ca 0.21 -1.98 -0.14 0.00 -0.26 0.00 0.00 60.65 58.49 3h05 s ILE 105 Cb -0.15 -2.22 -0.04 0.00 1.25 0.00 0.00 42.46 41.30 3h05 s ILE 105 CO 0.09 -0.38 1.03 -0.83 0.24 0.00 0.00 174.94 175.09 3h05 s GLY 106 N -3.19 1.87 0.35 6.27 0.00 -1.26 -3.46 107.32 107.89 3h05 s GLY 106 Ca 0.27 0.11 0.02 0.00 0.00 0.00 0.00 44.72 45.12 3h05 s GLY 106 CO 0.06 0.40 2.01 -2.55 0.00 0.00 0.00 173.10 173.02 3h05 h PRO 107 N 0.13 0.85 -0.34 2.90 0.11 -1.94 -1.31 132.00 132.41 3h05 h PRO 107 Ca -0.45 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.66 3h05 h PRO 107 Cb 1.20 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.06 3h05 h PRO 107 CO 0.60 0.56 0.01 -0.44 -0.21 0.00 0.00 178.00 178.52 3h05 h ASP 108 N 0.87 -0.11 0.52 -2.05 5.19 -2.00 -1.50 116.42 117.34 3h05 h ASP 108 Ca 0.24 0.07 -0.12 0.00 -0.62 0.00 0.00 57.03 56.60 3h05 h ASP 108 Cb -0.10 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 3h05 h ASP 108 CO -0.05 -0.02 -0.55 0.78 -3.12 0.00 0.00 179.24 176.28 3h05 h ASN 109 N 0.11 0.04 -0.70 6.45 2.35 -1.88 -2.84 115.58 119.11 3h05 h ASN 109 Ca 0.16 -0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.94 3h05 h ASN 109 Cb 0.22 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 3h05 h ASN 109 CO -0.26 0.58 0.42 0.15 -1.65 0.00 0.00 177.43 176.67 3h05 h PHE 110 N 0.03 0.78 0.00 1.19 3.57 -0.43 -1.60 116.94 120.47 3h05 h PHE 110 Ca -0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3h05 h PHE 110 Cb 0.98 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 3h05 h PHE 110 CO 0.00 0.42 -0.12 0.74 -2.23 0.00 0.00 178.31 177.11 3h05 h PHE 111 N 0.80 0.00 -0.35 0.41 0.04 -1.07 -3.03 116.94 113.74 3h05 h PHE 111 Ca 0.29 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.96 3h05 h PHE 111 Cb 0.09 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.18 3h05 h PHE 111 CO -0.05 0.12 0.01 0.36 -0.60 0.00 0.00 178.31 178.15 3h05 n LYS 112 N -3.25 2.49 0.18 1.51 2.85 -0.87 -4.73 118.16 116.33 3h05 n LYS 112 Ca 0.01 -2.99 0.05 0.00 -1.05 0.00 0.00 58.31 54.32 3h05 n LYS 112 Cb 0.39 -1.86 0.49 0.00 -0.65 0.00 0.00 35.03 33.39 3h05 n LYS 112 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 177.40 177.70 3h05 h PHE 113 N 1.47 0.13 0.00 5.58 3.57 -1.19 -2.36 116.94 124.14 3h05 h PHE 113 Ca 0.13 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3h05 h PHE 113 Cb 1.63 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.33 3h05 h PHE 113 CO 0.78 0.21 0.03 0.00 -2.23 0.00 0.00 178.31 177.10 3h05 h ALA 114 N 1.80 1.02 0.00 2.41 0.00 -1.86 -0.90 119.26 121.73 3h05 h ALA 114 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h05 h ALA 114 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3h05 h ALA 114 CO 0.01 -0.02 -0.65 1.63 0.00 0.00 0.00 179.25 180.22 3h05 n LYS 115 N -2.69 0.29 -1.74 0.00 5.02 -0.89 -4.81 118.16 113.33 3h05 n LYS 115 Ca -0.02 0.08 -0.40 0.00 -2.02 0.00 0.00 58.31 55.95 3h05 n LYS 115 Cb 0.08 -1.68 0.03 0.00 -0.02 0.00 0.00 35.03 33.44 3h05 n LYS 115 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3h05 n PHE 116 N -2.09 2.45 -1.66 2.13 3.01 -0.34 -4.92 117.46 116.04 3h05 n PHE 116 Ca 0.03 0.44 -0.48 0.00 1.01 0.00 0.00 57.45 58.46 3h05 n PHE 116 Cb 0.44 -2.41 -0.05 0.00 -0.01 0.00 0.00 39.48 37.45 3h05 n PHE 116 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 3h05 n TYR 117 N -0.53 2.12 -2.85 1.38 9.36 -1.26 -1.89 117.16 123.50 3h05 n TYR 117 Ca 0.07 0.31 -0.19 0.00 3.32 0.00 0.00 57.90 61.42 3h05 n TYR 117 Cb 0.42 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.62 3h05 n TYR 117 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3h05 n LYS 118 N 3.75 -3.16 -0.17 2.98 5.02 -1.26 -4.58 118.16 120.73 3h05 n LYS 118 Ca 0.18 0.70 -0.01 0.00 -2.02 0.00 0.00 58.31 57.16 3h05 n LYS 118 Cb 0.26 -5.40 0.08 0.00 -0.02 0.00 0.00 35.03 29.95 3h05 n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h05 h ALA 119 N 0.99 0.57 -0.26 7.82 0.00 -1.66 -0.13 119.26 126.59 3h05 h ALA 119 Ca -0.42 0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.65 3h05 h ALA 119 Cb 1.29 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 3h05 h ALA 119 CO 0.49 -0.35 0.12 1.49 0.00 0.00 0.00 179.25 180.99 3h05 h GLU 120 N 0.18 0.24 -0.95 0.00 4.81 -1.90 -1.56 114.58 115.40 3h05 h GLU 120 Ca 0.28 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3h05 h GLU 120 Cb 0.41 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 3h05 h GLU 120 CO -0.40 0.16 0.58 0.93 -0.73 0.00 0.00 179.01 179.55 3h05 h GLU 121 N 0.25 1.29 -0.72 1.92 3.07 -1.82 -1.72 114.58 116.85 3h05 h GLU 121 Ca 0.11 -0.11 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 3h05 h GLU 121 Cb 0.05 -0.27 -0.04 0.00 -0.84 0.00 0.00 28.75 27.65 3h05 h GLU 121 CO -0.09 0.89 0.46 0.82 -1.40 0.00 0.00 179.01 179.70 3h05 h ILE 122 N 1.31 1.14 0.00 3.13 2.04 -0.53 -1.80 117.51 122.80 3h05 h ILE 122 Ca 0.34 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3h05 h ILE 122 Cb -0.07 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 3h05 h ILE 122 CO -0.07 0.17 0.00 0.35 0.00 0.00 0.00 178.15 178.60 3h05 n THR 123 N -4.62 0.38 0.45 -0.27 -2.24 -0.63 -0.65 114.28 106.70 3h05 n THR 123 Ca 0.07 0.10 0.12 0.00 -2.27 0.00 0.00 64.05 62.07 3h05 n THR 123 Cb 0.05 -0.73 0.12 0.00 -2.10 0.00 0.00 70.33 67.67 3h05 n THR 123 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3h05 h GLU 124 N 0.00 0.00 0.00 -0.78 5.08 -0.74 -3.42 114.58 114.71 3h05 h GLU 124 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h05 h GLU 124 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3h05 h GLU 124 CO 0.00 0.00 -0.95 0.54 -1.00 0.00 0.00 179.01 177.60 3h05 n ARG 125 N -2.27 1.41 -4.17 2.33 1.74 -0.67 -5.10 116.66 109.93 3h05 n ARG 125 Ca 0.02 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.96 3h05 n ARG 125 Cb 0.47 -0.97 -0.11 0.00 -1.02 0.00 0.00 32.46 30.82 3h05 n ARG 125 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3h05 s TRP 126 N -1.95 1.04 0.20 -1.55 0.51 0.17 -4.89 118.94 112.47 3h05 s TRP 126 Ca 0.00 -0.66 -0.25 0.00 -2.12 0.00 0.00 56.10 53.07 3h05 s TRP 126 Cb 0.00 -0.57 -0.08 0.00 -0.81 0.00 0.00 33.47 32.00 3h05 s TRP 126 CO 0.00 -0.01 0.81 0.99 -0.51 0.00 0.00 176.95 178.23 3h05 s THR 127 N -2.46 4.34 -0.14 2.01 2.01 -0.94 -4.52 115.64 115.94 3h05 s THR 127 Ca 0.05 1.71 0.03 0.00 0.31 0.00 0.00 61.69 63.79 3h05 s THR 127 Cb -0.03 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.38 3h05 s THR 127 CO -0.00 0.44 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.46 3h05 s VAL 128 N -1.25 2.11 -0.09 3.82 1.01 -1.26 -0.50 120.40 124.23 3h05 s VAL 128 Ca 0.39 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3h05 s VAL 128 Cb -0.22 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.34 3h05 s VAL 128 CO 0.26 0.55 -0.10 -0.32 0.00 0.00 0.00 175.10 175.49 3h05 s MET 129 N 0.75 1.62 -0.27 2.72 0.00 -0.06 -4.95 119.30 119.10 3h05 s MET 129 Ca -0.09 -0.33 -0.11 0.00 0.00 0.00 0.00 55.69 55.17 3h05 s MET 129 Cb -0.16 -1.52 -0.05 0.00 0.00 0.00 0.00 34.83 33.11 3h05 s MET 129 CO -0.00 -0.14 0.18 0.00 0.00 0.00 0.00 175.02 175.05 3h05 s ALA 130 N 1.24 3.49 -0.03 4.11 0.00 -1.26 -0.71 121.76 128.61 3h05 s ALA 130 Ca -0.04 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 3h05 s ALA 130 Cb -0.14 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 3h05 s ALA 130 CO -0.03 -0.53 0.14 0.00 0.00 0.00 0.00 175.76 175.34 3h05 s PRO 132 N -1.69 4.39 -1.10 0.00 0.04 -1.26 -4.65 135.00 130.73 3h05 s PRO 132 Ca 0.24 2.16 -0.17 0.00 0.04 0.00 0.00 61.00 63.26 3h05 s PRO 132 Cb -0.12 -3.10 0.12 0.00 0.04 0.00 0.00 34.50 31.44 3h05 s PRO 132 CO 0.14 -0.16 1.38 -1.21 0.04 0.00 0.00 177.00 177.19 3h05 s GLU 133 N -1.54 3.83 0.44 4.56 2.02 -1.26 -4.47 118.70 122.28 3h05 s GLU 133 Ca 0.49 -2.00 0.23 0.00 0.02 0.00 0.00 54.97 53.72 3h05 s GLU 133 Cb -0.39 -5.13 0.97 0.00 0.10 0.00 0.00 34.13 29.69 3h05 s GLU 133 CO 0.50 -1.91 1.86 0.87 0.02 0.00 0.00 175.26 176.60 3h05 h LYS 134 N 8.19 0.00 -5.21 1.61 1.57 -1.87 -3.38 116.57 117.48 3h05 h LYS 134 Ca 0.26 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.38 3h05 h LYS 134 Cb 0.95 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.97 3h05 h LYS 134 CO 1.26 0.25 -0.78 0.08 -0.57 0.00 0.00 179.45 179.68 3h05 s VAL 135 N -3.80 2.88 -0.40 0.50 1.01 -1.26 -5.10 120.40 114.23 3h05 s VAL 135 Ca -0.01 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 3h05 s VAL 135 Cb 0.11 -2.22 0.08 0.00 0.00 0.00 0.00 36.38 34.35 3h05 s VAL 135 CO 0.64 0.51 0.21 -0.54 0.00 0.00 0.00 175.10 175.91 3h05 s LYS 136 N 0.75 2.40 -0.06 2.72 1.02 -1.26 -4.29 119.74 121.01 3h05 s LYS 136 Ca -0.06 -1.55 -0.02 0.00 0.02 0.00 0.00 55.97 54.37 3h05 s LYS 136 Cb -0.15 -3.63 0.04 0.00 -0.52 0.00 0.00 37.83 33.56 3h05 s LYS 136 CO 0.01 -0.94 0.13 -1.50 -0.92 0.00 0.00 175.35 172.12 3h05 s ILE 137 N 1.31 -0.08 0.09 2.17 2.07 -1.26 -5.03 121.20 120.47 3h05 s ILE 137 Ca 0.03 0.21 -0.21 0.00 -1.41 0.00 0.00 60.65 59.27 3h05 s ILE 137 Cb -0.23 -0.22 -0.07 0.00 0.13 0.00 0.00 42.46 42.08 3h05 s ILE 137 CO -0.00 0.09 0.64 -0.13 -1.91 0.00 0.00 174.94 173.63 3h05 s ARG 138 N 1.32 4.34 0.21 3.50 0.52 -1.26 -4.87 118.95 122.70 3h05 s ARG 138 Ca -0.07 0.88 -0.09 0.00 -0.52 0.00 0.00 55.73 55.93 3h05 s ARG 138 Cb -0.12 -3.26 0.17 0.00 0.52 0.00 0.00 34.95 32.26 3h05 s ARG 138 CO -0.05 0.57 1.84 0.66 0.02 0.00 0.00 175.30 178.34 3h05 h SER 139 N 4.64 0.98 -0.94 0.23 4.64 -1.93 -2.23 113.55 118.94 3h05 h SER 139 Ca -0.48 -0.09 0.10 0.00 -0.47 0.00 0.00 61.79 60.85 3h05 h SER 139 Cb 1.21 -0.25 -0.07 0.00 -0.31 0.00 0.00 62.40 62.98 3h05 h SER 139 CO 0.65 0.79 0.60 0.71 -0.87 0.00 0.00 176.83 178.71 3h05 h THR 140 N 1.10 0.98 -0.56 2.95 1.35 -1.93 -1.60 112.91 115.20 3h05 h THR 140 Ca 0.28 -0.33 -0.06 0.00 -0.55 0.00 0.00 66.41 65.75 3h05 h THR 140 Cb 0.01 -0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 66.33 3h05 h THR 140 CO -0.05 0.18 0.10 0.44 -0.25 0.00 0.00 175.52 175.94 3h05 h ASP 141 N 0.97 0.84 -0.08 5.36 3.45 -1.81 -0.01 116.42 125.13 3h05 h ASP 141 Ca 0.44 -0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.70 3h05 h ASP 141 Cb 0.38 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.93 3h05 h ASP 141 CO -0.20 0.84 -0.04 0.40 -1.57 0.00 0.00 179.24 178.68 3h05 h ILE 142 N 0.84 1.32 -0.22 0.35 2.04 -1.20 -1.69 117.51 118.96 3h05 h ILE 142 Ca 0.18 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 64.92 3h05 h ILE 142 Cb 0.36 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3h05 h ILE 142 CO 0.01 0.29 -0.19 0.03 0.00 0.00 0.00 178.15 178.29 3h05 h ARG 143 N -0.20 0.38 -0.29 2.37 3.08 -1.24 -1.53 114.38 116.95 3h05 h ARG 143 Ca 0.02 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 3h05 h ARG 143 Cb 0.48 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3h05 h ARG 143 CO 0.01 0.56 -0.29 -0.91 -1.07 0.00 0.00 179.97 178.28 3h05 h ASN 144 N 0.35 0.61 -0.54 7.04 2.35 -1.03 -2.82 115.58 121.53 3h05 h ASN 144 Ca 0.06 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.52 3h05 h ASN 144 Cb 0.53 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 3h05 h ASN 144 CO 0.04 0.86 0.10 0.00 -1.65 0.00 0.00 177.43 176.78 3h05 h ALA 145 N 1.18 1.08 -0.33 -0.83 0.00 -0.36 -0.30 119.26 119.70 3h05 h ALA 145 Ca 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3h05 h ALA 145 Cb 0.75 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3h05 h ALA 145 CO 0.06 0.60 0.17 -0.07 0.00 0.00 0.00 179.25 180.01 3h05 h LEU 146 N 0.88 0.41 -0.64 0.00 3.38 -1.29 0.13 115.31 118.18 3h05 h LEU 146 Ca 0.18 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3h05 h LEU 146 Cb 0.38 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3h05 h LEU 146 CO 0.01 0.39 0.15 0.40 0.09 0.00 0.00 178.44 179.48 3h05 h ILE 147 N 0.40 1.26 0.00 1.22 2.04 -1.31 -2.89 117.51 118.23 3h05 h ILE 147 Ca 0.11 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3h05 h ILE 147 Cb 0.07 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3h05 h ILE 147 CO -0.02 0.35 0.00 -0.33 0.00 0.00 0.00 178.15 178.16 3h05 h GLU 148 N 0.95 0.00 0.00 2.37 4.39 -0.84 -3.47 114.58 117.97 3h05 h GLU 148 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3h05 h GLU 148 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3h05 h GLU 148 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 3h05 n GLY 149 N 0.81 0.52 3.87 -3.84 0.00 0.34 -5.06 105.19 101.82 3h05 n GLY 149 Ca 0.04 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 3h05 n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h05 s LYS 150 N -1.28 3.81 0.11 1.61 -2.85 -0.45 -5.02 119.74 115.67 3h05 s LYS 150 Ca 0.00 0.53 -0.31 0.00 -1.00 0.00 0.00 55.97 55.18 3h05 s LYS 150 Cb 0.00 -2.37 -0.09 0.00 -2.06 0.00 0.00 37.83 33.31 3h05 s LYS 150 CO 0.00 -0.05 1.56 0.34 0.10 0.00 0.00 175.35 177.30 3h05 s ASP 151 N -3.09 6.65 -0.02 0.03 2.15 -1.26 -4.58 116.67 116.54 3h05 s ASP 151 Ca 0.52 2.49 0.09 0.00 0.43 0.00 0.00 52.55 56.09 3h05 s ASP 151 Cb -0.10 -2.58 0.26 0.00 -0.30 0.00 0.00 42.92 40.19 3h05 s ASP 151 CO 0.30 -0.81 1.21 2.30 -0.17 0.00 0.00 175.17 178.00 3h05 n ILE 152 N 4.27 1.16 0.28 4.11 -5.35 -1.26 -4.73 119.36 117.83 3h05 n ILE 152 Ca 0.14 -1.13 0.13 0.00 -0.27 0.00 0.00 62.75 61.62 3h05 n ILE 152 Cb 0.40 0.40 0.82 0.00 -1.74 0.00 0.00 39.64 39.52 3h05 n ILE 152 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3h05 h SER 153 N 1.45 0.00 -0.37 7.28 4.64 -1.91 0.72 113.55 125.37 3h05 h SER 153 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h05 h SER 153 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3h05 h SER 153 CO 0.02 0.04 0.00 0.35 -0.87 0.00 0.00 176.83 176.37 3h05 n THR 154 N -3.89 0.49 -0.00 2.95 -2.24 -1.26 -4.14 114.28 106.18 3h05 n THR 154 Ca -0.03 -0.64 0.11 0.00 -2.27 0.00 0.00 64.05 61.22 3h05 n THR 154 Cb 0.13 0.68 -0.17 0.00 -2.10 0.00 0.00 70.33 68.87 3h05 n THR 154 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3h05 n TYR 155 N 1.11 0.02 -3.66 4.78 4.01 0.24 -4.91 117.16 118.75 3h05 n TYR 155 Ca 0.18 0.01 -0.06 0.00 -0.16 0.00 0.00 57.90 57.87 3h05 n TYR 155 Cb 0.51 -0.51 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 3h05 n TYR 155 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 3h05 n THR 156 N -2.26 0.00 -2.46 -0.72 5.66 -1.21 -1.26 114.28 112.02 3h05 n THR 156 Ca -0.04 -0.74 -0.28 0.00 -3.05 0.00 0.00 64.05 59.94 3h05 n THR 156 Cb 0.57 0.52 0.01 0.00 -1.55 0.00 0.00 70.33 69.87 3h05 n THR 156 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3h05 s THR 157 N -2.60 4.68 0.23 1.09 -4.23 -1.26 -4.83 115.64 108.71 3h05 s THR 157 Ca 0.12 0.29 -0.08 0.00 -1.18 0.00 0.00 61.69 60.84 3h05 s THR 157 Cb -0.01 -3.80 0.20 0.00 1.34 0.00 0.00 72.50 70.23 3h05 s THR 157 CO 0.09 -0.84 1.87 -0.65 -0.54 0.00 0.00 174.62 174.55 3h05 h PRO 158 N 0.06 1.18 -0.22 3.99 0.11 -1.96 -1.55 132.00 133.61 3h05 h PRO 158 Ca -0.46 -0.10 -0.16 0.00 0.11 0.00 0.00 66.00 65.38 3h05 h PRO 158 Cb 1.21 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3h05 h PRO 158 CO 0.62 0.82 -0.51 1.15 -0.21 0.00 0.00 178.00 179.86 3h05 h THR 159 N 1.19 1.31 -0.26 -1.15 2.02 -1.94 -1.69 112.91 112.39 3h05 h THR 159 Ca 0.31 -1.74 -0.00 0.00 0.77 0.00 0.00 66.41 65.75 3h05 h THR 159 Cb -0.06 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3h05 h THR 159 CO -0.06 0.55 0.15 0.58 0.37 0.00 0.00 175.52 177.11 3h05 h VAL 160 N 0.49 1.11 -0.74 3.16 2.07 -1.75 -1.24 116.25 119.35 3h05 h VAL 160 Ca 0.02 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 3h05 h VAL 160 Cb 1.06 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3h05 h VAL 160 CO 0.10 0.11 0.28 0.77 0.02 0.00 0.00 177.57 178.85 3h05 h SER 161 N 0.32 1.03 -0.47 0.57 4.64 -1.21 -0.26 113.55 118.18 3h05 h SER 161 Ca 0.09 -0.18 0.03 0.00 -0.47 0.00 0.00 61.79 61.26 3h05 h SER 161 Cb 0.04 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.82 3h05 h SER 161 CO -0.02 0.93 0.27 -0.33 -0.87 0.00 0.00 176.83 176.82 3h05 h GLU 162 N 1.07 0.53 -0.66 4.77 5.08 -1.14 -1.86 114.58 122.37 3h05 h GLU 162 Ca 0.25 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3h05 h GLU 162 Cb 0.23 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3h05 h GLU 162 CO -0.02 0.35 0.14 -0.07 -1.00 0.00 0.00 179.01 178.41 3h05 h LEU 163 N 0.54 0.99 -0.69 1.33 3.38 -0.85 -2.98 115.31 117.04 3h05 h LEU 163 Ca 0.19 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3h05 h LEU 163 Cb 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3h05 h LEU 163 CO -0.10 0.97 0.26 -0.07 0.09 0.00 0.00 178.44 179.59 3h05 h LEU 164 N 0.99 0.97 -2.04 1.67 3.38 -0.76 -2.19 115.31 117.33 3h05 h LEU 164 Ca 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3h05 h LEU 164 Cb 0.38 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3h05 h LEU 164 CO 0.00 0.88 -0.05 -0.07 0.09 0.00 0.00 178.44 179.30 3h05 h LEU 165 N 0.99 0.00 -1.70 1.67 3.38 -1.27 -3.52 115.31 114.87 3h05 h LEU 165 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3h05 h LEU 165 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3h05 h LEU 165 CO -0.02 0.05 0.00 -3.20 0.09 0.00 0.00 178.44 175.36