#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otu s GLN 1 N 0.00 2.74 -0.21 3.17 -0.21 -1.26 -4.97 119.66 118.92 2otu s GLN 1 Ca 0.00 1.57 -0.28 0.00 0.02 0.00 0.00 55.36 56.67 2otu s GLN 1 Cb 0.00 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 32.09 2otu s GLN 1 CO 0.00 -1.33 0.99 -1.17 -2.12 0.00 0.00 175.29 171.66 2otu s LEU 2 N -4.68 4.12 0.01 2.90 2.96 -1.26 -4.87 118.68 117.87 2otu s LEU 2 Ca 0.71 1.33 0.00 0.00 -0.22 0.00 0.00 54.13 55.95 2otu s LEU 2 Cb -0.24 -3.47 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 2otu s LEU 2 CO 0.39 -0.60 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.10 2otu s VAL 3 N 2.94 0.14 -0.11 1.68 1.01 -1.26 -4.93 120.40 119.87 2otu s VAL 3 Ca 0.43 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.95 2otu s VAL 3 Cb -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.03 2otu s VAL 3 CO 0.08 -0.22 -0.23 -0.76 0.00 0.00 0.00 175.10 173.97 2otu s LEU 4 N -0.75 2.07 -0.12 3.92 1.43 -1.26 -1.73 118.68 122.24 2otu s LEU 4 Ca -0.07 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.49 2otu s LEU 4 Cb -0.05 -1.39 -0.00 0.00 0.03 0.00 0.00 46.19 44.77 2otu s LEU 4 CO -0.00 0.13 -0.20 -0.89 0.23 0.00 0.00 176.35 175.62 2otu s THR 5 N 0.51 2.38 0.15 5.49 2.01 -0.31 -4.38 115.64 121.49 2otu s THR 5 Ca -0.15 -0.89 0.06 0.00 0.31 0.00 0.00 61.69 61.02 2otu s THR 5 Cb -0.17 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 2otu s THR 5 CO 0.05 0.54 0.03 -1.10 -0.69 0.00 0.00 174.62 173.45 2otu s GLN 6 N 0.52 2.56 0.80 4.92 -0.21 -1.26 0.09 119.66 127.07 2otu s GLN 6 Ca -0.13 -0.97 -0.12 0.00 0.02 0.00 0.00 55.36 54.16 2otu s GLN 6 Cb -0.17 -2.48 0.08 0.00 1.00 0.00 0.00 33.01 31.44 2otu s GLN 6 CO 0.05 0.49 1.14 -1.54 -2.12 0.00 0.00 175.29 173.30 2otu s SER 7 N -2.78 3.95 0.56 5.90 1.04 -0.44 -4.97 113.70 116.96 2otu s SER 7 Ca 0.28 2.09 -0.21 0.00 0.48 0.00 0.00 55.95 58.59 2otu s SER 7 Cb -0.10 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.42 2otu s SER 7 CO 0.20 -2.41 1.29 -0.44 0.98 0.00 0.00 173.24 172.85 2otu s SER 8 N -2.74 5.25 0.41 7.02 0.01 -1.26 -4.62 113.70 117.76 2otu s SER 8 Ca 0.67 2.61 -0.27 0.00 1.31 0.00 0.00 55.95 60.27 2otu s SER 8 Cb -0.22 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.29 2otu s SER 8 CO 0.53 -1.57 1.46 -0.44 0.41 0.00 0.00 173.24 173.62 2otu s SER 9 N -1.20 6.15 0.30 2.44 0.01 -1.26 -4.83 113.70 115.30 2otu s SER 9 Ca 0.74 3.00 0.05 0.00 1.31 0.00 0.00 55.95 61.04 2otu s SER 9 Cb -0.37 -2.66 -0.03 0.00 0.21 0.00 0.00 66.02 63.17 2otu s SER 9 CO 0.42 -1.00 0.25 0.00 0.41 0.00 0.00 173.24 173.31 2otu s ALA 10 N -1.16 1.65 -0.01 1.44 0.00 -0.65 -4.93 121.76 118.12 2otu s ALA 10 Ca 0.56 -1.97 0.04 0.00 0.00 0.00 0.00 51.96 50.60 2otu s ALA 10 Cb -0.45 1.45 -0.01 0.00 0.00 0.00 0.00 23.12 24.11 2otu s ALA 10 CO 0.60 -0.65 -0.14 -1.12 0.00 0.00 0.00 175.76 174.45 2otu s SER 11 N -3.31 1.68 0.05 0.00 0.01 -1.26 -0.33 113.70 110.54 2otu s SER 11 Ca 0.40 -0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.43 2otu s SER 11 Cb 0.03 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 2otu s SER 11 CO 0.24 0.17 -0.13 -0.36 0.41 0.00 0.00 173.24 173.56 2otu s PHE 12 N -0.37 1.10 0.43 2.43 0.40 0.14 -4.93 117.98 117.18 2otu s PHE 12 Ca 0.05 -0.42 -0.20 0.00 -0.60 0.00 0.00 56.93 55.76 2otu s PHE 12 Cb -0.06 -0.64 -0.11 0.00 0.51 0.00 0.00 43.02 42.73 2otu s PHE 12 CO -0.00 0.02 0.94 -1.12 0.70 0.00 0.00 175.22 175.76 2otu s SER 13 N -1.46 6.91 0.14 1.36 0.01 -1.26 -4.22 113.70 115.18 2otu s SER 13 Ca -0.02 1.65 -0.35 0.00 1.31 0.00 0.00 55.95 58.55 2otu s SER 13 Cb -0.09 -2.53 -0.15 0.00 0.21 0.00 0.00 66.02 63.46 2otu s SER 13 CO 0.02 -0.36 1.41 -0.11 0.41 0.00 0.00 173.24 174.61 2otu n LEU 14 N -0.68 2.32 0.00 2.44 7.94 -1.26 -1.46 117.00 126.30 2otu n LEU 14 Ca 0.07 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 2otu n LEU 14 Cb 0.54 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.18 2otu n LEU 14 CO 0.38 -0.74 0.00 0.61 -1.11 0.00 0.00 177.39 176.53 2otu n GLY 15 N 2.75 2.58 3.69 -3.96 0.00 -0.33 -4.91 105.19 105.02 2otu n GLY 15 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2otu n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otu s ALA 16 N -2.17 1.08 -0.10 4.61 0.00 -0.54 -3.82 121.76 120.82 2otu s ALA 16 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 2otu s ALA 16 Cb 0.00 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 2otu s ALA 16 CO 0.00 -3.03 -0.03 -1.12 0.00 0.00 0.00 175.76 171.58 2otu s SER 17 N -3.91 4.94 0.14 0.00 0.01 -1.26 -0.61 113.70 113.02 2otu s SER 17 Ca 0.68 0.03 0.11 0.00 1.31 0.00 0.00 55.95 58.08 2otu s SER 17 Cb -0.13 -1.44 -0.04 0.00 0.21 0.00 0.00 66.02 64.63 2otu s SER 17 CO 0.56 0.33 -0.25 0.00 0.41 0.00 0.00 173.24 174.28 2otu s ALA 18 N -0.57 2.35 -0.17 1.44 0.00 0.44 -4.98 121.76 120.27 2otu s ALA 18 Ca 0.09 -1.49 -0.04 0.00 0.00 0.00 0.00 51.96 50.52 2otu s ALA 18 Cb -0.12 -0.35 0.07 0.00 0.00 0.00 0.00 23.12 22.73 2otu s ALA 18 CO 0.02 0.49 0.16 0.21 0.00 0.00 0.00 175.76 176.64 2otu s LYS 19 N -2.22 0.11 0.06 0.00 2.20 -1.26 -0.51 119.74 118.12 2otu s LYS 19 Ca 0.15 0.17 -0.01 0.00 -0.36 0.00 0.00 55.97 55.92 2otu s LYS 19 Cb -0.09 -1.25 -0.04 0.00 -1.51 0.00 0.00 37.83 34.94 2otu s LYS 19 CO 0.07 -0.59 0.23 -0.51 -0.36 0.00 0.00 175.35 174.18 2otu s LEU 20 N 2.25 4.35 -0.07 5.43 1.43 0.46 -4.93 118.68 127.60 2otu s LEU 20 Ca 0.04 0.31 0.05 0.00 -1.03 0.00 0.00 54.13 53.50 2otu s LEU 20 Cb -0.15 -2.97 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 2otu s LEU 20 CO -0.10 0.16 -0.23 -0.89 0.23 0.00 0.00 176.35 175.53 2otu s THR 21 N -1.51 2.24 -0.14 5.49 2.01 -1.26 -1.52 115.64 120.95 2otu s THR 21 Ca 0.35 -0.99 -0.00 0.00 0.31 0.00 0.00 61.69 61.36 2otu s THR 21 Cb -0.13 -1.84 0.03 0.00 0.01 0.00 0.00 72.50 70.57 2otu s THR 21 CO 0.27 0.57 -0.10 0.00 -0.69 0.00 0.00 174.62 174.67 2otu s THR 23 N 1.58 4.23 0.32 0.00 2.01 0.11 -0.25 115.64 123.63 2otu s THR 23 Ca 0.04 -0.23 -0.17 0.00 0.31 0.00 0.00 61.69 61.64 2otu s THR 23 Cb -0.13 -2.90 -0.09 0.00 0.01 0.00 0.00 72.50 69.38 2otu s THR 23 CO -0.09 0.44 0.76 -0.76 -0.69 0.00 0.00 174.62 174.28 2otu s LEU 24 N 0.72 4.11 0.35 4.42 1.43 -0.11 -1.16 118.68 128.44 2otu s LEU 24 Ca 0.01 1.36 -0.29 0.00 -1.03 0.00 0.00 54.13 54.19 2otu s LEU 24 Cb -0.14 -4.04 -0.11 0.00 0.03 0.00 0.00 46.19 41.94 2otu s LEU 24 CO 0.02 -0.17 1.47 -0.94 0.23 0.00 0.00 176.35 176.95 2otu s SER 25 N -2.13 6.44 0.30 2.29 1.04 -0.70 -4.76 113.70 116.18 2otu s SER 25 Ca 0.53 2.96 0.05 0.00 0.48 0.00 0.00 55.95 59.97 2otu s SER 25 Cb -0.11 -2.66 0.81 0.00 0.10 0.00 0.00 66.02 64.16 2otu s SER 25 CO 0.18 -0.81 1.64 0.77 0.98 0.00 0.00 173.24 176.00 2otu h SER 26 N 3.41 0.07 0.13 7.02 4.64 -1.94 0.23 113.55 127.11 2otu h SER 26 Ca -0.50 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2otu h SER 26 Cb 1.23 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 2otu h SER 26 CO 0.67 -0.18 0.00 -0.61 -0.87 0.00 0.00 176.83 175.84 2otu h GLN 27 N 0.21 0.00 -0.00 4.77 4.15 -1.94 -2.33 115.11 119.96 2otu h GLN 27 Ca 0.60 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 60.02 2otu h GLN 27 Cb 1.27 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.96 2otu h GLN 27 CO -0.67 0.00 -0.33 0.72 -1.93 0.00 0.00 178.83 176.62 2otu n HIS 28 N -3.03 0.01 0.21 3.99 8.25 0.77 -4.81 115.22 120.61 2otu n HIS 28 Ca -0.02 -1.33 0.13 0.00 -0.26 0.00 0.00 57.72 56.23 2otu n HIS 28 Cb 0.10 -0.22 0.67 0.00 1.12 0.00 0.00 29.99 31.66 2otu n HIS 28 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2otu h SER 29 N 0.67 0.00 -0.15 0.41 4.64 -1.16 -1.68 113.55 116.29 2otu h SER 29 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2otu h SER 29 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2otu h SER 29 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 2otu n THR 30 N -2.42 0.17 -2.22 2.95 -2.24 -1.26 -4.12 114.28 105.13 2otu n THR 30 Ca -0.02 -0.51 -0.36 0.00 -2.27 0.00 0.00 64.05 60.90 2otu n THR 30 Cb 0.13 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 2otu n THR 30 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2otu s TYR 31 N -1.83 2.68 -0.05 4.78 1.51 -0.63 -4.41 117.35 119.39 2otu s TYR 31 Ca 0.33 1.53 -0.18 0.00 -1.01 0.00 0.00 57.07 57.74 2otu s TYR 31 Cb 0.21 -3.35 -0.05 0.00 -0.11 0.00 0.00 41.96 38.66 2otu s TYR 31 CO 0.31 -1.66 0.51 0.99 -1.11 0.00 0.00 175.55 174.59 2otu s THR 32 N -1.68 5.05 0.43 -0.71 2.01 -1.26 -4.32 115.64 115.14 2otu s THR 32 Ca 0.71 1.05 0.06 0.00 0.31 0.00 0.00 61.69 63.82 2otu s THR 32 Cb -0.26 -3.84 -0.06 0.00 0.01 0.00 0.00 72.50 68.34 2otu s THR 32 CO 0.30 0.41 0.04 0.27 -0.69 0.00 0.00 174.62 174.95 2otu s ILE 33 N -0.03 1.93 0.09 1.82 -4.36 -0.41 -4.58 121.20 115.67 2otu s ILE 33 Ca 0.27 -1.94 0.10 0.00 -0.26 0.00 0.00 60.65 58.82 2otu s ILE 33 Cb -0.17 -2.87 -0.04 0.00 1.25 0.00 0.00 42.46 40.64 2otu s ILE 33 CO 0.14 0.00 -0.26 -1.61 0.24 0.00 0.00 174.94 173.44 2otu s GLU 34 N -3.77 1.59 -0.10 0.37 8.01 0.00 -0.47 118.70 124.33 2otu s GLU 34 Ca 0.32 -1.24 0.00 0.00 0.01 0.00 0.00 54.97 54.07 2otu s GLU 34 Cb 0.08 -1.95 -0.02 0.00 -4.31 0.00 0.00 34.13 27.93 2otu s GLU 34 CO 0.17 0.48 -0.10 -1.58 0.01 0.00 0.00 175.26 174.24 2otu s TRP 35 N -0.95 2.86 0.11 1.61 0.52 0.12 -0.93 118.94 122.27 2otu s TRP 35 Ca 0.13 -0.29 0.09 0.00 0.02 0.00 0.00 56.10 56.05 2otu s TRP 35 Cb -0.10 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.41 2otu s TRP 35 CO 0.04 0.06 -0.22 0.71 0.02 0.00 0.00 176.95 177.57 2otu s TYR 36 N -0.22 1.87 -0.08 -1.98 1.51 0.10 -0.25 117.35 118.30 2otu s TYR 36 Ca 0.02 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 2otu s TYR 36 Cb -0.13 -1.02 0.00 0.00 -0.11 0.00 0.00 41.96 40.70 2otu s TYR 36 CO 0.03 0.22 -0.20 -1.14 -1.11 0.00 0.00 175.55 173.36 2otu s GLN 37 N -1.92 2.48 -0.22 -0.62 0.74 0.58 -1.01 119.66 119.69 2otu s GLN 37 Ca 0.08 -0.71 0.00 0.00 0.05 0.00 0.00 55.36 54.78 2otu s GLN 37 Cb -0.10 -1.94 0.05 0.00 1.10 0.00 0.00 33.01 32.13 2otu s GLN 37 CO 0.04 0.15 -0.05 -1.14 -0.55 0.00 0.00 175.29 173.74 2otu s GLN 38 N 0.40 1.59 0.50 1.67 0.74 -0.15 0.19 119.66 124.59 2otu s GLN 38 Ca -0.16 -0.86 -0.09 0.00 0.05 0.00 0.00 55.36 54.30 2otu s GLN 38 Cb -0.17 -2.45 -0.05 0.00 1.10 0.00 0.00 33.01 31.45 2otu s GLN 38 CO 0.06 -0.55 0.86 -0.65 -0.55 0.00 0.00 175.29 174.47 2otu s GLN 39 N 1.46 3.67 0.01 1.67 -0.21 -1.26 -1.65 119.66 123.35 2otu s GLN 39 Ca -0.04 0.50 -0.38 0.00 0.02 0.00 0.00 55.36 55.46 2otu s GLN 39 Cb -0.18 -2.28 -0.17 0.00 1.00 0.00 0.00 33.01 31.39 2otu s GLN 39 CO -0.07 -0.26 1.41 -2.30 -2.12 0.00 0.00 175.29 171.95 2otu n PRO 40 N -2.04 1.09 -3.87 2.91 -0.02 -1.26 -2.04 135.00 129.77 2otu n PRO 40 Ca 0.03 0.40 -0.28 0.00 -2.02 0.00 0.00 63.50 61.63 2otu n PRO 40 Cb 0.54 -2.04 0.03 0.00 -0.02 0.00 0.00 33.50 32.01 2otu n PRO 40 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2otu n LEU 41 N 3.04 -2.66 -4.03 2.45 4.77 -1.26 -4.99 117.00 114.32 2otu n LEU 41 Ca 0.20 -0.79 -0.08 0.00 -0.03 0.00 0.00 56.01 55.31 2otu n LEU 41 Cb 0.17 -2.57 -0.10 0.00 -2.33 0.00 0.00 43.42 38.59 2otu n LEU 41 CO 0.66 0.46 -0.36 -0.54 -1.33 0.00 0.00 177.39 176.28 2otu s LYS 42 N -6.48 0.46 0.60 3.23 1.02 -0.87 -5.15 119.74 112.56 2otu s LYS 42 Ca 0.50 -0.91 -0.16 0.00 0.02 0.00 0.00 55.97 55.42 2otu s LYS 42 Cb -0.25 0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.19 2otu s LYS 42 CO 0.83 -0.08 1.08 -2.14 -0.92 0.00 0.00 175.35 174.12 2otu s PRO 43 N -2.70 3.17 0.64 -1.68 0.02 -1.26 -4.56 135.00 128.62 2otu s PRO 43 Ca -0.04 1.32 -0.18 0.00 0.02 0.00 0.00 61.00 62.12 2otu s PRO 43 Cb -0.01 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 2otu s PRO 43 CO -0.06 -0.95 1.23 -2.30 -0.33 0.00 0.00 177.00 174.60 2otu n PRO 44 N -2.03 1.08 -4.87 5.54 -0.02 -1.26 -4.65 135.00 128.79 2otu n PRO 44 Ca 0.10 0.42 -0.27 0.00 -2.02 0.00 0.00 63.50 61.73 2otu n PRO 44 Cb 0.52 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.37 2otu n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2otu s LYS 45 N -3.25 2.06 0.04 -0.52 2.20 0.13 -4.93 119.74 115.47 2otu s LYS 45 Ca 0.81 -0.63 -0.31 0.00 -0.36 0.00 0.00 55.97 55.49 2otu s LYS 45 Cb -0.39 -1.70 -0.07 0.00 -1.51 0.00 0.00 37.83 34.16 2otu s LYS 45 CO 0.41 0.18 1.48 -0.47 -0.36 0.00 0.00 175.35 176.60 2otu s TYR 46 N 0.25 2.78 -0.22 4.03 5.04 -1.26 -0.31 117.35 127.66 2otu s TYR 46 Ca -0.10 0.68 -0.13 0.00 -2.44 0.00 0.00 57.07 55.07 2otu s TYR 46 Cb -0.14 -3.77 -0.09 0.00 0.35 0.00 0.00 41.96 38.31 2otu s TYR 46 CO 0.04 -2.92 -0.32 0.28 -1.34 0.00 0.00 175.55 171.30 2otu n VAL 47 N 4.55 1.39 -3.55 3.14 0.31 0.66 -4.44 118.33 120.40 2otu n VAL 47 Ca 0.14 -0.20 -0.08 0.00 -0.01 0.00 0.00 64.34 64.19 2otu n VAL 47 Cb 0.42 -1.96 -0.02 0.00 -0.91 0.00 0.00 33.84 31.38 2otu n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2otu s MET 48 N -2.55 0.97 -0.22 5.55 0.23 -1.14 -0.66 119.30 121.48 2otu s MET 48 Ca -0.32 -0.40 -0.05 0.00 -1.03 0.00 0.00 55.69 53.88 2otu s MET 48 Cb 0.11 0.41 -0.02 0.00 -1.53 0.00 0.00 34.83 33.80 2otu s MET 48 CO 0.42 -0.43 0.00 -2.00 -2.03 0.00 0.00 175.02 170.98 2otu s GLU 49 N -3.24 3.53 -0.17 3.16 2.12 -0.29 -0.70 118.70 123.11 2otu s GLU 49 Ca 0.06 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.85 2otu s GLU 49 Cb -0.01 -3.12 0.01 0.00 0.26 0.00 0.00 34.13 31.27 2otu s GLU 49 CO -0.07 -0.13 -0.17 -1.17 -0.54 0.00 0.00 175.26 173.18 2otu s LEU 50 N 1.36 2.31 0.60 2.70 2.96 0.38 -2.02 118.68 126.97 2otu s LEU 50 Ca 0.04 -0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 53.40 2otu s LEU 50 Cb -0.15 -1.52 0.05 0.00 0.50 0.00 0.00 46.19 45.07 2otu s LEU 50 CO 0.00 0.04 0.84 -0.54 -1.32 0.00 0.00 176.35 175.38 2otu s LYS 51 N 1.04 2.35 0.58 1.98 1.02 -0.25 -1.29 119.74 125.17 2otu s LYS 51 Ca -0.01 -0.78 0.32 0.00 0.02 0.00 0.00 55.97 55.52 2otu s LYS 51 Cb -0.14 -2.42 1.78 0.00 -0.52 0.00 0.00 37.83 36.53 2otu s LYS 51 CO -0.05 -0.91 2.19 1.57 -0.92 0.00 0.00 175.35 177.23 2otu h LYS 52 N -0.12 0.00 -0.21 1.68 2.10 -1.77 -1.94 116.57 116.32 2otu h LYS 52 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2otu h LYS 52 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2otu h LYS 52 CO 0.51 0.05 0.00 -0.40 -2.00 0.00 0.00 179.45 177.61 2otu n ASP 53 N -3.56 2.18 0.00 7.07 3.85 -1.26 -4.66 116.55 120.17 2otu n ASP 53 Ca -0.02 -1.79 0.00 0.00 -0.71 0.00 0.00 54.79 52.27 2otu n ASP 53 Cb 0.15 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 39.79 2otu n ASP 53 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2otu n GLY 54 N 1.24 1.34 3.77 6.12 0.00 -0.73 -4.76 105.19 112.17 2otu n GLY 54 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2otu n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2otu s SER 55 N -2.43 6.25 0.04 1.61 1.04 -1.26 -4.29 113.70 114.67 2otu s SER 55 Ca 0.00 2.49 -0.17 0.00 0.48 0.00 0.00 55.95 58.75 2otu s SER 55 Cb 0.00 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.53 2otu s SER 55 CO 0.00 -0.87 0.39 -1.38 0.98 0.00 0.00 173.24 172.35 2otu s HIS 56 N -1.37 -0.23 -0.07 5.02 -3.43 -1.26 -1.09 115.29 112.86 2otu s HIS 56 Ca 0.60 0.17 0.03 0.00 -0.80 0.00 0.00 55.06 55.06 2otu s HIS 56 Cb -0.34 0.19 0.01 0.00 -1.43 0.00 0.00 32.58 31.01 2otu s HIS 56 CO 0.43 -0.55 -0.15 -1.54 -2.00 0.00 0.00 174.74 170.93 2otu s SER 57 N -2.00 2.02 0.24 7.38 1.04 -0.86 -4.97 113.70 116.56 2otu s SER 57 Ca -0.05 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2otu s SER 57 Cb -0.01 -0.88 -0.04 0.00 0.10 0.00 0.00 66.02 65.19 2otu s SER 57 CO -0.02 0.07 0.43 0.42 0.98 0.00 0.00 173.24 175.11 2otu s THR 58 N 0.53 5.18 0.84 2.02 -4.23 -1.26 -1.14 115.64 117.59 2otu s THR 58 Ca -0.14 -0.47 -0.12 0.00 -1.18 0.00 0.00 61.69 59.78 2otu s THR 58 Cb -0.16 -3.78 0.10 0.00 1.34 0.00 0.00 72.50 70.00 2otu s THR 58 CO 0.04 -0.29 1.16 -0.83 -0.54 0.00 0.00 174.62 174.17 2otu s GLY 59 N -3.49 1.59 0.24 3.99 0.00 0.17 -4.94 107.32 104.88 2otu s GLY 59 Ca 0.38 -0.59 -0.30 0.00 0.00 0.00 0.00 44.72 44.21 2otu s GLY 59 CO 0.31 -0.08 1.46 0.99 0.00 0.00 0.00 173.10 175.77 2otu s ASP 60 N -4.37 6.63 0.00 1.64 -0.00 -1.26 -2.82 116.67 116.50 2otu s ASP 60 Ca 0.63 2.68 0.00 0.00 -0.00 0.00 0.00 52.55 55.85 2otu s ASP 60 Cb -0.12 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.17 2otu s ASP 60 CO 0.51 -0.72 0.00 0.61 -0.00 0.00 0.00 175.17 175.56 2otu n GLY 61 N 2.34 0.65 3.55 0.21 0.00 -1.26 -5.05 105.19 105.64 2otu n GLY 61 Ca 0.07 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 2otu n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2otu s ILE 62 N -2.00 5.15 0.87 -0.61 -1.09 -1.13 -5.08 121.20 117.31 2otu s ILE 62 Ca 0.00 0.02 -0.13 0.00 -2.23 0.00 0.00 60.65 58.31 2otu s ILE 62 Cb 0.00 -3.50 0.06 0.00 -1.58 0.00 0.00 42.46 37.44 2otu s ILE 62 CO 0.00 0.19 0.79 -2.65 -1.23 0.00 0.00 174.94 172.05 2otu n PRO 63 N 5.05 -0.10 0.00 2.79 -0.02 -1.26 -4.88 135.00 136.58 2otu n PRO 63 Ca -0.14 0.03 0.12 0.00 -2.02 0.00 0.00 63.50 61.50 2otu n PRO 63 Cb 0.51 -2.12 0.65 0.00 -0.02 0.00 0.00 33.50 32.53 2otu n PRO 63 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2otu n ASP 64 N -2.27 0.00 0.25 2.55 5.68 -1.26 -2.60 116.55 118.90 2otu n ASP 64 Ca 0.10 -0.22 0.14 0.00 -0.50 0.00 0.00 54.79 54.31 2otu n ASP 64 Cb 0.52 -0.23 0.52 0.00 -1.14 0.00 0.00 41.12 40.79 2otu n ASP 64 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2otu h ARG 65 N 0.00 0.00 -5.74 0.11 3.08 -1.90 -3.42 114.38 106.52 2otu h ARG 65 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2otu h ARG 65 Cb 0.19 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.15 2otu h ARG 65 CO 0.00 0.08 0.15 -0.06 -1.07 0.00 0.00 179.97 179.07 2otu s PHE 66 N -3.57 3.40 0.13 3.04 0.08 -1.07 -1.49 117.98 118.50 2otu s PHE 66 Ca 0.02 1.00 -0.03 0.00 0.12 0.00 0.00 56.93 58.04 2otu s PHE 66 Cb 0.09 -2.83 -0.03 0.00 -0.57 0.00 0.00 43.02 39.68 2otu s PHE 66 CO 0.60 -0.15 0.11 -1.54 -0.10 0.00 0.00 175.22 174.13 2otu s SER 67 N 1.14 0.25 0.18 1.36 1.04 0.05 -4.97 113.70 112.75 2otu s SER 67 Ca 0.31 -1.07 0.03 0.00 0.48 0.00 0.00 55.95 55.70 2otu s SER 67 Cb -0.16 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.24 2otu s SER 67 CO 0.11 -0.76 -0.04 -0.83 0.98 0.00 0.00 173.24 172.71 2otu s GLY 68 N -3.00 1.27 0.21 7.32 0.00 -1.26 0.26 107.32 112.11 2otu s GLY 68 Ca 0.19 -1.61 -0.23 0.00 0.00 0.00 0.00 44.72 43.08 2otu s GLY 68 CO -0.01 -1.60 0.70 -1.35 0.00 0.00 0.00 173.10 170.85 2otu s SER 69 N -3.21 -0.38 0.13 1.64 1.04 -0.91 -4.84 113.70 107.16 2otu s SER 69 Ca 0.22 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.34 2otu s SER 69 Cb 0.05 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 2otu s SER 69 CO 0.04 -1.13 -0.02 -0.44 0.98 0.00 0.00 173.24 172.67 2otu s SER 70 N -2.83 1.00 -0.29 7.02 0.01 -1.26 -0.24 113.70 117.10 2otu s SER 70 Ca 0.07 -1.10 0.05 0.00 1.31 0.00 0.00 55.95 56.28 2otu s SER 70 Cb -0.03 0.14 0.19 0.00 0.21 0.00 0.00 66.02 66.53 2otu s SER 70 CO -0.02 -0.56 0.54 -0.55 0.41 0.00 0.00 173.24 173.07 2otu s SER 71 N -3.09 -1.10 1.89 2.44 0.15 -0.53 -4.81 113.70 108.65 2otu s SER 71 Ca 0.18 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2otu s SER 71 Cb 0.06 1.79 0.00 0.00 -1.71 0.00 0.00 66.02 66.17 2otu s SER 71 CO -0.01 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2otu n GLY 72 N 5.40 3.45 0.07 9.45 0.00 -1.26 -0.93 105.19 121.37 2otu n GLY 72 Ca 0.04 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.10 2otu n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otu n ALA 73 N 11.95 2.65 -2.30 4.61 0.00 -1.26 -4.78 120.51 131.38 2otu n ALA 73 Ca 0.00 -0.22 -0.39 0.00 0.00 0.00 0.00 53.44 52.83 2otu n ALA 73 Cb 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 17.98 2otu n ALA 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2otu s ASP 74 N -2.37 7.16 -0.12 0.00 1.01 -0.11 -0.94 116.67 121.30 2otu s ASP 74 Ca 0.34 1.37 0.02 0.00 0.71 0.00 0.00 52.55 54.99 2otu s ASP 74 Cb 0.21 -2.42 0.01 0.00 1.01 0.00 0.00 42.92 41.73 2otu s ASP 74 CO 0.44 0.14 -0.18 -0.13 0.21 0.00 0.00 175.17 175.65 2otu s ARG 75 N -0.58 2.52 0.02 8.23 1.81 0.65 -1.46 118.95 130.14 2otu s ARG 75 Ca 0.34 -0.67 0.05 0.00 -1.72 0.00 0.00 55.73 53.73 2otu s ARG 75 Cb -0.20 -2.07 -0.03 0.00 -0.45 0.00 0.00 34.95 32.19 2otu s ARG 75 CO 0.21 -0.02 -0.13 0.71 -0.68 0.00 0.00 175.30 175.39 2otu s TYR 76 N 0.86 2.69 -0.21 -0.53 1.51 0.66 -0.58 117.35 121.76 2otu s TYR 76 Ca -0.08 -0.17 -0.00 0.00 -1.01 0.00 0.00 57.07 55.81 2otu s TYR 76 Cb -0.15 -1.53 0.02 0.00 -0.11 0.00 0.00 41.96 40.19 2otu s TYR 76 CO -0.01 0.29 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.43 2otu s LEU 77 N -1.38 2.67 -0.12 -1.29 2.96 -0.57 -2.15 118.68 118.80 2otu s LEU 77 Ca 0.15 -0.75 -0.02 0.00 -0.22 0.00 0.00 54.13 53.30 2otu s LEU 77 Cb -0.11 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 2otu s LEU 77 CO 0.06 -0.06 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.55 2otu s SER 78 N 1.31 4.80 -0.21 3.68 0.01 0.14 -0.41 113.70 123.02 2otu s SER 78 Ca 0.02 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.24 2otu s SER 78 Cb -0.15 -1.53 0.05 0.00 0.21 0.00 0.00 66.02 64.60 2otu s SER 78 CO -0.08 0.27 -0.08 -0.63 0.41 0.00 0.00 173.24 173.12 2otu s ILE 79 N -0.22 1.62 0.09 1.44 1.01 0.33 -0.77 121.20 124.71 2otu s ILE 79 Ca 0.04 -1.11 -0.04 0.00 0.00 0.00 0.00 60.65 59.54 2otu s ILE 79 Cb -0.13 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 2otu s ILE 79 CO 0.02 0.06 0.32 -0.94 0.00 0.00 0.00 174.94 174.41 2otu s SER 80 N 1.38 6.47 -0.91 3.58 1.04 -0.56 -0.42 113.70 124.29 2otu s SER 80 Ca -0.03 0.52 -0.07 0.00 0.48 0.00 0.00 55.95 56.85 2otu s SER 80 Cb -0.17 -2.07 -0.01 0.00 0.10 0.00 0.00 66.02 63.87 2otu s SER 80 CO -0.07 0.13 0.72 -3.20 0.98 0.00 0.00 173.24 171.80 2otu n ASN 81 N 0.39 -6.24 -4.58 7.02 4.05 -1.15 -4.78 115.26 109.96 2otu n ASN 81 Ca -0.05 -0.63 -0.45 0.00 0.45 0.00 0.00 54.58 53.90 2otu n ASN 81 Cb 0.52 -3.82 -0.02 0.00 1.23 0.00 0.00 39.78 37.69 2otu n ASN 81 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 2otu n ILE 82 N -2.82 1.83 -4.37 -1.44 2.08 0.22 -4.68 119.36 110.18 2otu n ILE 82 Ca -0.11 -0.46 -0.21 0.00 0.56 0.00 0.00 62.75 62.53 2otu n ILE 82 Cb 0.59 -0.92 -0.11 0.00 -0.75 0.00 0.00 39.64 38.45 2otu n ILE 82 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2otu s GLN 83 N -1.34 1.38 0.27 0.38 -1.52 -1.26 -1.18 119.66 116.38 2otu s GLN 83 Ca 0.61 -1.54 -0.01 0.00 -1.95 0.00 0.00 55.36 52.47 2otu s GLN 83 Cb -0.73 -1.35 0.52 0.00 -0.22 0.00 0.00 33.01 31.22 2otu s GLN 83 CO 0.58 0.25 1.80 -1.35 -0.25 0.00 0.00 175.29 176.33 2otu h PRO 84 N 2.82 0.76 0.00 2.91 0.11 -1.95 -1.24 132.00 135.41 2otu h PRO 84 Ca -0.40 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2otu h PRO 84 Cb 1.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2otu h PRO 84 CO 0.57 0.50 0.00 -0.85 -0.21 0.00 0.00 178.00 178.01 2otu n GLU 85 N -4.76 0.05 0.05 1.05 0.00 -1.26 -2.09 120.64 113.67 2otu n GLU 85 Ca 0.17 0.41 0.13 0.00 0.00 0.00 0.00 57.16 57.87 2otu n GLU 85 Cb 0.38 -1.61 0.51 0.00 0.00 0.00 0.00 31.44 30.71 2otu n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2otu n ASP 86 N -1.70 0.37 -4.66 -1.84 8.00 -0.47 -4.77 116.55 111.47 2otu n ASP 86 Ca 0.02 0.54 -0.43 0.00 0.71 0.00 0.00 54.79 55.63 2otu n ASP 86 Cb 0.11 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.54 2otu n ASP 86 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2otu n GLU 87 N -1.85 2.79 -3.96 -1.24 2.13 -0.89 -4.86 120.64 112.76 2otu n GLU 87 Ca 0.06 1.02 0.01 0.00 0.66 0.00 0.00 57.16 58.91 2otu n GLU 87 Cb 0.36 -2.97 0.01 0.00 0.27 0.00 0.00 31.44 29.11 2otu n GLU 87 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2otu s ALA 88 N 4.47 -2.24 -0.21 4.31 0.00 -0.92 -4.68 121.76 122.48 2otu s ALA 88 Ca 0.90 -0.07 -0.08 0.00 0.00 0.00 0.00 51.96 52.71 2otu s ALA 88 Cb -0.46 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 2otu s ALA 88 CO 0.43 -1.13 0.09 0.42 0.00 0.00 0.00 175.76 175.57 2otu s ILE 89 N -2.05 4.82 -0.20 0.00 1.01 -0.66 0.09 121.20 124.20 2otu s ILE 89 Ca 0.28 -0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.85 2otu s ILE 89 Cb -0.01 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 2otu s ILE 89 CO 0.01 0.40 0.03 -0.31 0.00 0.00 0.00 174.94 175.07 2otu s TYR 90 N 0.84 3.11 -0.04 3.97 2.02 0.02 -0.97 117.35 126.29 2otu s TYR 90 Ca 0.05 -0.27 0.05 0.00 -0.37 0.00 0.00 57.07 56.53 2otu s TYR 90 Cb -0.13 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.30 2otu s TYR 90 CO 0.02 -0.14 -0.21 0.42 -1.57 0.00 0.00 175.55 174.08 2otu s ILE 91 N 0.93 1.70 0.17 2.71 1.09 -0.18 -0.65 121.20 126.96 2otu s ILE 91 Ca 0.02 -0.88 0.04 0.00 -1.10 0.00 0.00 60.65 58.74 2otu s ILE 91 Cb -0.14 -1.44 -0.04 0.00 -1.06 0.00 0.00 42.46 39.79 2otu s ILE 91 CO 0.02 0.48 0.23 0.00 -0.10 0.00 0.00 174.94 175.57 2otu s GLY 93 N -3.27 0.20 -0.09 0.00 0.00 -0.11 -0.74 107.32 103.31 2otu s GLY 93 Ca 0.33 -0.64 -0.06 0.00 0.00 0.00 0.00 44.72 44.36 2otu s GLY 93 CO 0.26 -0.78 0.21 0.54 0.00 0.00 0.00 173.10 173.34 2otu s VAL 94 N -2.90 -0.02 0.27 1.40 0.11 -0.02 -0.82 120.40 118.42 2otu s VAL 94 Ca -0.02 0.08 0.10 0.00 -2.93 0.00 0.00 61.98 59.21 2otu s VAL 94 Cb 0.01 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2otu s VAL 94 CO -0.06 0.03 -0.05 -0.83 -3.33 0.00 0.00 175.10 170.86 2otu s GLY 95 N 0.72 1.71 -0.30 6.54 0.00 -1.26 -0.97 107.32 113.76 2otu s GLY 95 Ca -0.05 -1.70 0.01 0.00 0.00 0.00 0.00 44.72 42.98 2otu s GLY 95 CO -0.04 -1.77 0.36 -0.35 0.00 0.00 0.00 173.10 171.30 2otu s ASP 96 N -3.62 0.97 -0.67 1.64 3.68 -0.04 -4.97 116.67 113.66 2otu s ASP 96 Ca 0.31 -0.66 -0.08 0.00 2.13 0.00 0.00 52.55 54.25 2otu s ASP 96 Cb -0.06 0.82 -0.19 0.00 -1.45 0.00 0.00 42.92 42.04 2otu s ASP 96 CO 0.19 -0.36 3.29 0.35 0.13 0.00 0.00 175.17 178.77 2otu n THR 97 N 5.21 3.48 -1.92 1.71 -2.24 -1.26 -1.86 114.28 117.40 2otu n THR 97 Ca 0.01 -1.91 -0.42 0.00 -2.27 0.00 0.00 64.05 59.46 2otu n THR 97 Cb 0.48 -2.24 -0.03 0.00 -2.10 0.00 0.00 70.33 66.44 2otu n THR 97 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2otu s ILE 98 N 1.55 3.15 0.28 2.28 1.01 -1.26 -4.89 121.20 123.32 2otu s ILE 98 Ca 0.67 0.49 0.02 0.00 0.00 0.00 0.00 60.65 61.82 2otu s ILE 98 Cb 0.26 -3.32 0.27 0.00 0.01 0.00 0.00 42.46 39.68 2otu s ILE 98 CO -0.02 -0.01 1.71 0.50 0.00 0.00 0.00 174.94 177.12 2otu h LYS 99 N 8.77 0.44 -0.74 2.79 3.64 -2.01 -0.85 116.57 128.62 2otu h LYS 99 Ca -0.43 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.87 2otu h LYS 99 Cb 1.20 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 2otu h LYS 99 CO 0.94 0.29 0.25 0.93 -2.27 0.00 0.00 179.45 179.59 2otu h GLU 100 N 0.45 1.13 -1.33 1.90 3.07 -2.00 -3.43 114.58 114.37 2otu h GLU 100 Ca 0.52 -0.23 0.12 0.00 -0.50 0.00 0.00 59.36 59.27 2otu h GLU 100 Cb 0.91 -0.17 -0.21 0.00 -0.84 0.00 0.00 28.75 28.43 2otu h GLU 100 CO -0.48 0.95 -0.05 -1.14 -1.40 0.00 0.00 179.01 176.89 2otu s GLN 101 N -5.43 0.47 0.61 2.33 2.00 -0.33 -5.15 119.66 114.15 2otu s GLN 101 Ca -0.12 1.05 -0.18 0.00 -2.00 0.00 0.00 55.36 54.12 2otu s GLN 101 Cb 0.15 0.62 -0.02 0.00 0.80 0.00 0.00 33.01 34.56 2otu s GLN 101 CO 0.84 -0.28 1.17 -0.06 -0.50 0.00 0.00 175.29 176.45 2otu s PHE 102 N 2.79 2.45 -0.05 1.67 2.99 -1.15 -4.11 117.98 122.58 2otu s PHE 102 Ca 0.02 1.54 -0.03 0.00 0.00 0.00 0.00 56.93 58.46 2otu s PHE 102 Cb -0.11 -3.38 0.02 0.00 0.00 0.00 0.00 43.02 39.55 2otu s PHE 102 CO -0.18 -2.02 0.12 0.08 -0.00 0.00 0.00 175.22 173.21 2otu s VAL 103 N -1.83 -0.01 -0.07 -0.44 1.01 -0.78 -4.95 120.40 113.33 2otu s VAL 103 Ca 0.74 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 2otu s VAL 103 Cb -0.27 -0.18 0.04 0.00 0.00 0.00 0.00 36.38 35.98 2otu s VAL 103 CO 0.35 0.02 0.14 -0.47 0.00 0.00 0.00 175.10 175.13 2otu s TYR 104 N 0.36 -0.14 -0.02 5.22 5.04 -1.26 -0.86 117.35 125.68 2otu s TYR 104 Ca -0.02 0.48 0.07 0.00 -2.44 0.00 0.00 57.07 55.15 2otu s TYR 104 Cb -0.04 -0.16 -0.02 0.00 0.35 0.00 0.00 41.96 42.10 2otu s TYR 104 CO -0.01 -0.19 -0.23 0.08 -1.34 0.00 0.00 175.55 173.85 2otu s VAL 105 N 1.49 1.85 0.10 3.14 1.01 -0.14 -4.97 120.40 122.88 2otu s VAL 105 Ca -0.06 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 60.99 2otu s VAL 105 Cb -0.12 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2otu s VAL 105 CO -0.06 0.52 -0.06 -0.36 0.00 0.00 0.00 175.10 175.15 2otu s PHE 106 N -0.49 2.83 0.98 5.22 0.40 -1.26 -0.84 117.98 124.82 2otu s PHE 106 Ca 0.07 -0.11 -0.17 0.00 -0.60 0.00 0.00 56.93 56.13 2otu s PHE 106 Cb -0.10 -1.46 0.22 0.00 0.51 0.00 0.00 43.02 42.19 2otu s PHE 106 CO -0.00 0.45 1.34 0.20 0.70 0.00 0.00 175.22 177.91 2otu s GLY 107 N -2.30 1.80 0.00 4.36 0.00 0.08 -4.67 107.32 106.59 2otu s GLY 107 Ca 0.23 -1.26 0.29 0.00 0.00 0.00 0.00 44.72 43.98 2otu s GLY 107 CO 0.16 -0.46 1.96 0.61 0.00 0.00 0.00 173.10 175.37 2otu n GLY 108 N -3.79 -1.41 0.00 0.20 0.00 -1.26 -4.77 105.19 94.15 2otu n GLY 108 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2otu n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otu n GLY 109 N 1.43 -1.33 3.03 -0.02 0.00 -1.26 -5.00 105.19 102.03 2otu n GLY 109 Ca 0.10 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 2otu n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2otu s THR 110 N -2.74 1.70 -0.28 2.61 2.01 0.18 -4.85 115.64 114.28 2otu s THR 110 Ca 0.00 -0.85 -0.27 0.00 0.31 0.00 0.00 61.69 60.89 2otu s THR 110 Cb 0.00 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 70.86 2otu s THR 110 CO 0.00 0.36 0.94 -0.75 -0.69 0.00 0.00 174.62 174.48 2otu s LYS 111 N 1.41 4.10 -0.29 4.92 2.20 -1.26 -0.80 119.74 130.02 2otu s LYS 111 Ca 0.02 0.97 -0.10 0.00 -0.36 0.00 0.00 55.97 56.51 2otu s LYS 111 Cb -0.14 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 2otu s LYS 111 CO -0.10 -0.70 0.16 0.08 -0.36 0.00 0.00 175.35 174.43 2otu s VAL 112 N 3.20 4.90 -0.14 4.02 1.01 0.11 -1.64 120.40 131.86 2otu s VAL 112 Ca 0.39 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 2otu s VAL 112 Cb -0.14 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2otu s VAL 112 CO 0.11 0.19 0.08 -0.89 0.00 0.00 0.00 175.10 174.58 2otu s THR 113 N 1.68 4.94 -1.38 3.92 2.01 0.56 -2.17 115.64 125.20 2otu s THR 113 Ca 0.06 0.01 0.11 0.00 0.31 0.00 0.00 61.69 62.18 2otu s THR 113 Cb -0.16 -3.17 0.09 0.00 0.01 0.00 0.00 72.50 69.27 2otu s THR 113 CO 0.08 0.55 0.85 0.52 -0.69 0.00 0.00 174.62 175.93