#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 2.89 -0.23 3.17 -2.07 -1.26 -4.95 119.66 117.21 2otu s GLN 1 Ca 0.00 1.36 -0.29 0.00 -1.82 0.00 0.00 55.36 54.61 2otu s GLN 1 Cb 0.00 -1.96 -0.01 0.00 -1.09 0.00 0.00 33.01 29.95 2otu s GLN 1 CO 0.00 -1.18 1.37 -1.17 -1.32 0.00 0.00 175.29 172.99 2otu s LEU 2 N -4.80 3.99 0.05 2.60 2.96 -1.26 -4.86 118.68 117.36 2otu s LEU 2 Ca 0.66 1.47 0.05 0.00 -0.22 0.00 0.00 54.13 56.10 2otu s LEU 2 Cb -0.20 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 2otu s LEU 2 CO 0.41 -1.02 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.59 2otu s VAL 3 N 4.26 1.15 -0.13 1.68 1.01 -1.26 -4.93 120.40 122.19 2otu s VAL 3 Ca 0.59 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2otu s VAL 3 Cb -0.20 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.12 2otu s VAL 3 CO 0.22 -0.08 -0.18 -0.76 0.00 0.00 0.00 175.10 174.30 2otu s LEU 4 N -1.40 1.90 -0.14 3.92 1.43 -1.26 -1.88 118.68 121.25 2otu s LEU 4 Ca 0.01 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 2otu s LEU 4 Cb -0.09 -1.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 2otu s LEU 4 CO 0.02 0.03 -0.15 -0.89 0.23 0.00 0.00 176.35 175.60 2otu s THR 5 N 0.99 2.82 0.13 5.49 2.01 -0.65 -4.39 115.64 122.04 2otu s THR 5 Ca -0.05 -0.73 0.06 0.00 0.31 0.00 0.00 61.69 61.28 2otu s THR 5 Cb -0.15 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 2otu s THR 5 CO -0.03 0.52 -0.01 -1.10 -0.69 0.00 0.00 174.62 173.31 2otu s GLN 6 N 0.58 2.43 0.64 4.92 -0.21 -1.26 -0.22 119.66 126.55 2otu s GLN 6 Ca -0.09 -0.99 -0.17 0.00 0.02 0.00 0.00 55.36 54.14 2otu s GLN 6 Cb -0.16 -2.43 -0.01 0.00 1.00 0.00 0.00 33.01 31.42 2otu s GLN 6 CO 0.03 0.50 1.17 -1.54 -2.12 0.00 0.00 175.29 173.33 2otu s SER 7 N -2.61 4.96 0.47 5.90 1.04 -0.01 -4.97 113.70 118.49 2otu s SER 7 Ca 0.26 2.24 -0.24 0.00 0.48 0.00 0.00 55.95 58.69 2otu s SER 7 Cb -0.10 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.37 2otu s SER 7 CO 0.18 -1.74 1.31 -0.94 0.98 0.00 0.00 173.24 173.03 2otu s SER 8 N -2.02 5.85 0.19 7.02 1.04 -1.26 -4.65 113.70 119.87 2otu s SER 8 Ca 0.73 2.66 -0.31 0.00 0.48 0.00 0.00 55.95 59.50 2otu s SER 8 Cb -0.26 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.12 2otu s SER 8 CO 0.38 -1.16 1.55 -0.44 0.98 0.00 0.00 173.24 174.55 2otu s SER 9 N -0.91 6.58 0.12 7.02 0.01 -1.26 -4.87 113.70 120.38 2otu s SER 9 Ca 0.64 2.65 -0.00 0.00 1.31 0.00 0.00 55.95 60.55 2otu s SER 9 Cb -0.38 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.21 2otu s SER 9 CO 0.46 -0.81 0.01 0.00 0.41 0.00 0.00 173.24 173.31 2otu s ALA 10 N 0.91 0.89 0.07 1.44 0.00 -0.97 -4.91 121.76 119.18 2otu s ALA 10 Ca 0.68 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2otu s ALA 10 Cb -0.44 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 2otu s ALA 10 CO 0.34 -0.40 0.22 -1.12 0.00 0.00 0.00 175.76 174.80 2otu s SER 11 N -3.04 6.35 0.08 0.00 0.01 -1.25 -1.82 113.70 114.03 2otu s SER 11 Ca 0.18 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.71 2otu s SER 11 Cb 0.07 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 2otu s SER 11 CO -0.01 0.16 -0.04 -0.36 0.41 0.00 0.00 173.24 173.40 2otu s PHE 12 N -1.53 0.75 -0.03 2.43 0.40 0.14 -4.93 117.98 115.20 2otu s PHE 12 Ca 0.35 -1.01 -0.09 0.00 -0.60 0.00 0.00 56.93 55.58 2otu s PHE 12 Cb -0.13 -0.47 -0.05 0.00 0.51 0.00 0.00 43.02 42.88 2otu s PHE 12 CO 0.28 -0.28 0.27 -1.12 0.70 0.00 0.00 175.22 175.06 2otu s SER 13 N -3.00 6.54 0.25 1.36 0.01 -1.26 -4.25 113.70 113.35 2otu s SER 13 Ca 0.11 0.63 -0.31 0.00 1.31 0.00 0.00 55.95 57.70 2otu s SER 13 Cb 0.07 -2.12 -0.14 0.00 0.21 0.00 0.00 66.02 64.04 2otu s SER 13 CO -0.06 0.31 1.29 -0.11 0.41 0.00 0.00 173.24 175.08 2otu n LEU 14 N 1.51 2.68 0.00 2.44 0.00 -1.26 -1.15 117.00 121.21 2otu n LEU 14 Ca -0.14 1.16 0.00 0.00 0.00 0.00 0.00 56.01 57.03 2otu n LEU 14 Cb 0.53 -1.38 0.00 0.00 0.00 0.00 0.00 43.42 42.58 2otu n LEU 14 CO 0.37 -0.78 0.00 0.61 0.00 0.00 0.00 177.39 177.60 2otu n GLY 15 N 1.79 2.47 3.15 -3.96 0.00 0.23 -4.92 105.19 103.95 2otu n GLY 15 Ca 0.11 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 2otu n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otu n ALA 16 N 0.00 -2.91 -2.55 4.61 0.00 -0.30 -3.40 120.51 115.96 2otu n ALA 16 Ca 0.00 -1.44 -0.24 0.00 0.00 0.00 0.00 53.44 51.76 2otu n ALA 16 Cb 0.00 -1.28 -0.08 0.00 0.00 0.00 0.00 19.45 18.09 2otu n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2otu s SER 17 N -2.45 4.39 -0.07 0.00 0.01 -1.26 -1.28 113.70 113.03 2otu s SER 17 Ca 0.52 -0.85 -0.14 0.00 1.31 0.00 0.00 55.95 56.79 2otu s SER 17 Cb -0.10 -0.65 0.03 0.00 0.21 0.00 0.00 66.02 65.50 2otu s SER 17 CO 0.47 -0.19 0.34 0.00 0.41 0.00 0.00 173.24 174.27 2otu s ALA 18 N -2.45 -0.85 -0.17 1.44 0.00 -0.68 -4.98 121.76 114.08 2otu s ALA 18 Ca 0.35 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.94 2otu s ALA 18 Cb -0.02 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.92 2otu s ALA 18 CO 0.20 -0.22 0.01 0.21 0.00 0.00 0.00 175.76 175.96 2otu s LYS 19 N -0.64 0.85 0.02 0.00 2.20 -1.26 -1.41 119.74 119.50 2otu s LYS 19 Ca -0.07 -0.37 -0.07 0.00 -0.36 0.00 0.00 55.97 55.10 2otu s LYS 19 Cb -0.04 -1.90 -0.05 0.00 -1.51 0.00 0.00 37.83 34.33 2otu s LYS 19 CO 0.03 -0.53 0.28 -0.51 -0.36 0.00 0.00 175.35 174.26 2otu s LEU 20 N 1.81 4.36 -0.02 5.43 1.43 -0.29 -4.96 118.68 126.44 2otu s LEU 20 Ca 0.00 0.58 0.07 0.00 -1.03 0.00 0.00 54.13 53.75 2otu s LEU 20 Cb -0.16 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 2otu s LEU 20 CO -0.07 0.23 -0.23 -0.89 0.23 0.00 0.00 176.35 175.62 2otu s THR 21 N -1.33 1.81 -0.13 5.49 2.01 -1.26 -1.78 115.64 120.45 2otu s THR 21 Ca 0.29 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 2otu s THR 21 Cb -0.13 -1.51 0.04 0.00 0.01 0.00 0.00 72.50 70.91 2otu s THR 21 CO 0.17 0.51 -0.02 0.00 -0.69 0.00 0.00 174.62 174.60 2otu s THR 23 N 1.82 4.05 0.38 0.00 2.01 0.70 -0.64 115.64 123.96 2otu s THR 23 Ca 0.02 -0.29 -0.18 0.00 0.31 0.00 0.00 61.69 61.56 2otu s THR 23 Cb -0.14 -2.82 -0.10 0.00 0.01 0.00 0.00 72.50 69.45 2otu s THR 23 CO -0.07 0.45 0.85 -0.76 -0.69 0.00 0.00 174.62 174.40 2otu s LEU 24 N 0.77 3.99 0.40 4.42 1.43 -0.10 -1.64 118.68 127.95 2otu s LEU 24 Ca 0.00 1.49 -0.27 0.00 -1.03 0.00 0.00 54.13 54.32 2otu s LEU 24 Cb -0.14 -4.32 -0.10 0.00 0.03 0.00 0.00 46.19 41.66 2otu s LEU 24 CO 0.02 -0.30 1.47 -0.94 0.23 0.00 0.00 176.35 176.84 2otu s SER 25 N -2.26 6.17 0.35 2.29 1.04 -0.79 -4.73 113.70 115.77 2otu s SER 25 Ca 0.58 3.02 0.16 0.00 0.48 0.00 0.00 55.95 60.19 2otu s SER 25 Cb -0.10 -2.66 1.11 0.00 0.10 0.00 0.00 66.02 64.47 2otu s SER 25 CO 0.16 -0.99 1.67 0.77 0.98 0.00 0.00 173.24 175.82 2otu h SER 26 N 2.75 0.50 0.55 7.02 4.64 -1.94 0.34 113.55 127.41 2otu h SER 26 Ca -0.51 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2otu h SER 26 Cb 1.25 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2otu h SER 26 CO 0.63 -0.13 0.00 -0.61 -0.87 0.00 0.00 176.83 175.85 2otu h GLN 27 N 0.31 0.00 0.00 4.77 4.15 -1.94 -2.92 115.11 119.49 2otu h GLN 27 Ca 0.74 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 60.15 2otu h GLN 27 Cb 1.73 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.42 2otu h GLN 27 CO -0.58 0.00 -0.04 0.72 -1.93 0.00 0.00 178.83 177.00 2otu n HIS 28 N -2.59 0.00 0.00 3.99 8.25 0.12 -4.82 115.22 120.16 2otu n HIS 28 Ca 0.00 -1.01 0.00 0.00 -0.26 0.00 0.00 57.72 56.45 2otu n HIS 28 Cb 0.19 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.14 2otu n HIS 28 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2otu n SER 29 N -1.39 0.00 -0.60 0.41 3.41 -1.08 -1.12 113.62 113.24 2otu n SER 29 Ca 0.16 0.31 0.10 0.00 -0.26 0.00 0.00 58.87 59.18 2otu n SER 29 Cb 0.64 -0.31 0.04 0.00 -0.26 0.00 0.00 64.21 64.32 2otu n SER 29 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2otu n THR 30 N -1.29 0.00 -1.92 6.66 -2.24 -1.26 -4.37 114.28 109.86 2otu n THR 30 Ca 0.00 -0.39 -0.35 0.00 -2.27 0.00 0.00 64.05 61.03 2otu n THR 30 Cb 0.06 1.32 0.04 0.00 -2.10 0.00 0.00 70.33 69.64 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 -1.94 2.38 -0.08 4.78 1.51 -0.28 -4.37 117.35 119.36 2otu s TYR 31 Ca 0.19 1.53 -0.13 0.00 -1.01 0.00 0.00 57.07 57.66 2otu s TYR 31 Cb 0.16 -3.43 -0.05 0.00 -0.11 0.00 0.00 41.96 38.53 2otu s TYR 31 CO 0.37 -2.17 0.32 0.99 -1.11 0.00 0.00 175.55 173.95 2otu s THR 32 N -1.75 5.22 0.45 -0.71 2.01 -1.26 -4.22 115.64 115.39 2otu s THR 32 Ca 0.75 0.62 0.04 0.00 0.31 0.00 0.00 61.69 63.41 2otu s THR 32 Cb -0.29 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 2otu s THR 32 CO 0.35 0.52 0.02 0.27 -0.69 0.00 0.00 174.62 175.09 2otu s ILE 33 N -0.52 1.47 0.06 1.82 -4.36 -0.39 -4.58 121.20 114.70 2otu s ILE 33 Ca 0.20 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.67 2otu s ILE 33 Cb -0.14 -2.54 -0.03 0.00 1.25 0.00 0.00 42.46 40.99 2otu s ILE 33 CO 0.08 0.00 -0.22 -1.61 0.24 0.00 0.00 174.94 173.43 2otu s GLU 34 N -3.80 1.42 -0.10 0.37 8.01 0.12 -0.62 118.70 124.10 2otu s GLU 34 Ca 0.20 -1.06 -0.01 0.00 0.01 0.00 0.00 54.97 54.12 2otu s GLU 34 Cb 0.05 -1.61 -0.03 0.00 -4.31 0.00 0.00 34.13 28.23 2otu s GLU 34 CO 0.10 0.40 -0.06 -1.58 0.01 0.00 0.00 175.26 174.14 2otu s TRP 35 N -0.90 2.97 0.08 1.61 0.52 0.43 -0.56 118.94 123.09 2otu s TRP 35 Ca 0.09 -0.11 0.08 0.00 0.02 0.00 0.00 56.10 56.17 2otu s TRP 35 Cb -0.09 -1.80 -0.03 0.00 -1.15 0.00 0.00 33.47 30.40 2otu s TRP 35 CO 0.03 0.19 -0.20 0.71 0.02 0.00 0.00 176.95 177.70 2otu s TYR 36 N -0.39 1.75 -0.06 -1.98 1.51 0.14 -1.23 117.35 117.08 2otu s TYR 36 Ca 0.06 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.76 2otu s TYR 36 Cb -0.12 -0.99 -0.00 0.00 -0.11 0.00 0.00 41.96 40.73 2otu s TYR 36 CO 0.02 0.15 -0.20 -1.14 -1.11 0.00 0.00 175.55 173.27 2otu s GLN 37 N -1.60 2.24 -0.19 -0.62 0.74 -0.57 -0.84 119.66 118.82 2otu s GLN 37 Ca 0.06 -0.72 -0.01 0.00 0.05 0.00 0.00 55.36 54.74 2otu s GLN 37 Cb -0.09 -1.85 0.05 0.00 1.10 0.00 0.00 33.01 32.22 2otu s GLN 37 CO 0.03 0.24 -0.01 -1.14 -0.55 0.00 0.00 175.29 173.86 2otu s GLN 38 N 0.12 1.12 0.46 1.67 0.74 -0.10 0.22 119.66 123.88 2otu s GLN 38 Ca -0.08 -0.57 -0.06 0.00 0.05 0.00 0.00 55.36 54.70 2otu s GLN 38 Cb -0.14 -2.16 -0.04 0.00 1.10 0.00 0.00 33.01 31.77 2otu s GLN 38 CO 0.04 -0.56 0.76 -0.65 -0.55 0.00 0.00 175.29 174.34 2otu s GLN 39 N 1.68 3.58 -0.14 1.67 -0.21 -1.26 -1.72 119.66 123.26 2otu s GLN 39 Ca -0.02 0.21 -0.39 0.00 0.02 0.00 0.00 55.36 55.19 2otu s GLN 39 Cb -0.17 -2.40 -0.16 0.00 1.00 0.00 0.00 33.01 31.28 2otu s GLN 39 CO -0.07 -0.15 1.57 -2.30 -2.12 0.00 0.00 175.29 172.22 2otu n PRO 40 N -2.03 1.08 -1.89 2.91 -0.02 -1.26 -1.96 135.00 131.83 2otu n PRO 40 Ca 0.01 0.39 -0.19 0.00 -2.02 0.00 0.00 63.50 61.69 2otu n PRO 40 Cb 0.55 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 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 4.16 -1.60 -4.39 2.45 4.77 -1.26 -5.00 117.00 116.13 2otu n LEU 41 Ca 0.23 0.28 -0.23 0.00 -0.03 0.00 0.00 56.01 56.26 2otu n LEU 41 Cb 0.14 -2.71 -0.11 0.00 -2.33 0.00 0.00 43.42 38.42 2otu n LEU 41 CO 0.74 -0.68 -0.48 -0.54 -1.33 0.00 0.00 177.39 175.09 2otu s LYS 42 N -4.17 1.44 0.95 3.23 1.02 -0.83 -5.14 119.74 116.25 2otu s LYS 42 Ca 0.00 -1.57 -0.14 0.00 0.02 0.00 0.00 55.97 54.28 2otu s LYS 42 Cb 0.00 -1.51 0.16 0.00 -0.52 0.00 0.00 37.83 35.96 2otu s LYS 42 CO 0.00 0.29 1.17 -1.25 -0.92 0.00 0.00 175.35 174.65 2otu s PRO 43 N -3.14 0.81 0.62 -1.68 0.04 -1.26 -4.62 135.00 125.76 2otu s PRO 43 Ca 0.22 0.09 -0.17 0.00 0.04 0.00 0.00 61.00 61.18 2otu s PRO 43 Cb -0.05 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 2otu s PRO 43 CO 0.10 -2.39 1.14 -2.14 0.04 0.00 0.00 177.00 173.75 2otu s PRO 44 N -5.44 2.95 -0.03 0.56 0.02 -1.26 -4.56 135.00 127.24 2otu s PRO 44 Ca 0.66 1.58 0.06 0.00 0.02 0.00 0.00 61.00 63.32 2otu s PRO 44 Cb -0.12 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 2otu s PRO 44 CO 0.53 -1.17 -0.22 0.21 -0.33 0.00 0.00 177.00 176.02 2otu s LYS 45 N -3.67 2.00 -0.24 5.54 2.20 0.13 -4.94 119.74 120.76 2otu s LYS 45 Ca 0.71 -0.80 -0.29 0.00 -0.36 0.00 0.00 55.97 55.23 2otu s LYS 45 Cb -0.24 -1.84 -0.02 0.00 -1.51 0.00 0.00 37.83 34.22 2otu s LYS 45 CO 0.35 0.43 1.58 -0.47 -0.36 0.00 0.00 175.35 176.88 2otu s TYR 46 N -0.36 2.18 -0.20 4.03 5.04 -1.26 -1.51 117.35 125.27 2otu s TYR 46 Ca 0.04 0.59 -0.16 0.00 -2.44 0.00 0.00 57.07 55.10 2otu s TYR 46 Cb -0.10 -3.98 -0.11 0.00 0.35 0.00 0.00 41.96 38.11 2otu s TYR 46 CO 0.01 -2.76 -0.07 0.28 -1.34 0.00 0.00 175.55 171.67 2otu n VAL 47 N 6.43 1.49 -3.54 3.14 0.31 -0.37 -4.18 118.33 121.61 2otu n VAL 47 Ca 0.18 0.01 -0.07 0.00 -0.01 0.00 0.00 64.34 64.45 2otu n VAL 47 Cb 0.45 -2.16 -0.02 0.00 -0.91 0.00 0.00 33.84 31.20 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 -2.41 0.62 -0.35 5.55 0.23 -1.11 -0.63 119.30 121.19 2otu s MET 48 Ca -0.26 -0.18 -0.10 0.00 -1.03 0.00 0.00 55.69 54.12 2otu s MET 48 Cb 0.06 0.29 0.02 0.00 -1.53 0.00 0.00 34.83 33.67 2otu s MET 48 CO 0.44 -0.26 0.17 -2.00 -2.03 0.00 0.00 175.02 171.34 2otu s GLU 49 N -2.63 2.92 -0.21 3.16 2.12 -0.94 -0.43 118.70 122.69 2otu s GLU 49 Ca 0.06 -1.00 -0.05 0.00 0.36 0.00 0.00 54.97 54.33 2otu s GLU 49 Cb -0.01 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 2otu s GLU 49 CO -0.06 -0.62 0.01 -1.17 -0.54 0.00 0.00 175.26 172.88 2otu s LEU 50 N 1.54 3.30 0.41 2.70 2.96 0.21 -2.81 118.68 126.99 2otu s LEU 50 Ca 0.02 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2otu s LEU 50 Cb -0.19 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 2otu s LEU 50 CO 0.06 0.06 0.61 -0.54 -1.32 0.00 0.00 176.35 175.21 2otu s LYS 51 N 1.05 3.09 0.50 1.98 1.02 -0.46 -1.26 119.74 125.66 2otu s LYS 51 Ca 0.02 -0.63 0.19 0.00 0.02 0.00 0.00 55.97 55.57 2otu s LYS 51 Cb -0.14 -2.64 1.24 0.00 -0.52 0.00 0.00 37.83 35.77 2otu s LYS 51 CO 0.02 -0.16 2.04 1.57 -0.92 0.00 0.00 175.35 177.90 2otu h LYS 52 N 0.55 0.13 -0.00 1.68 2.10 -1.76 -0.08 116.57 119.19 2otu h LYS 52 Ca -0.46 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2otu h LYS 52 Cb 1.25 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2otu h LYS 52 CO 0.56 0.09 -0.04 -0.40 -2.00 0.00 0.00 179.45 177.66 2otu n ASP 53 N -4.45 0.25 0.00 7.07 3.85 -1.26 -4.66 116.55 117.34 2otu n ASP 53 Ca 0.06 -0.57 0.00 0.00 -0.71 0.00 0.00 54.79 53.56 2otu n ASP 53 Cb 0.37 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 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 1.21 2.50 3.76 6.12 0.00 -0.04 -4.84 105.19 113.89 2otu n GLY 54 Ca 0.17 0.00 -0.39 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 -1.37 5.98 0.15 1.61 1.04 -1.26 -4.40 113.70 115.45 2otu s SER 55 Ca 0.00 2.62 -0.17 0.00 0.48 0.00 0.00 55.95 58.88 2otu s SER 55 Cb 0.00 -2.63 0.04 0.00 0.10 0.00 0.00 66.02 63.53 2otu s SER 55 CO 0.00 -1.07 0.46 -1.38 0.98 0.00 0.00 173.24 172.23 2otu s HIS 56 N -1.33 -0.22 -0.06 5.02 -3.43 -1.26 -1.35 115.29 112.66 2otu s HIS 56 Ca 0.62 -0.09 -0.01 0.00 -0.80 0.00 0.00 55.06 54.79 2otu s HIS 56 Cb -0.37 0.34 0.03 0.00 -1.43 0.00 0.00 32.58 31.15 2otu s HIS 56 CO 0.46 -0.78 0.01 -1.54 -2.00 0.00 0.00 174.74 170.88 2otu s SER 57 N -2.82 1.30 0.67 7.38 1.04 -1.12 -4.99 113.70 115.15 2otu s SER 57 Ca 0.05 -0.05 -0.08 0.00 0.48 0.00 0.00 55.95 56.34 2otu s SER 57 Cb 0.01 -0.37 0.03 0.00 0.10 0.00 0.00 66.02 65.79 2otu s SER 57 CO -0.09 -0.18 1.00 0.42 0.98 0.00 0.00 173.24 175.37 2otu s THR 58 N 1.78 3.13 0.60 2.02 -4.23 -1.26 -2.22 115.64 115.46 2otu s THR 58 Ca 0.01 0.05 -0.04 0.00 -1.18 0.00 0.00 61.69 60.54 2otu s THR 58 Cb -0.13 -3.31 0.13 0.00 1.34 0.00 0.00 72.50 70.53 2otu s THR 58 CO -0.04 -0.35 0.83 0.61 -0.54 0.00 0.00 174.62 175.12 2otu n GLY 59 N -2.83 0.06 3.77 3.99 0.00 0.19 -4.92 105.19 105.45 2otu n GLY 59 Ca 0.06 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 2otu n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2otu s ASP 60 N -4.24 6.49 -0.93 1.61 1.01 -1.26 -2.97 116.67 116.38 2otu s ASP 60 Ca 0.52 2.49 0.00 0.00 0.71 0.00 0.00 52.55 56.27 2otu s ASP 60 Cb -0.02 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.28 2otu s ASP 60 CO 0.35 -0.71 0.00 0.61 0.21 0.00 0.00 175.17 175.63 2otu n GLY 61 N 0.69 1.04 3.50 0.21 0.00 -1.26 -4.99 105.19 104.38 2otu n GLY 61 Ca 0.03 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.26 5.10 0.21 -0.61 -1.09 -1.16 -5.04 121.20 116.35 2otu s ILE 62 Ca 0.00 -0.25 -0.32 0.00 -2.23 0.00 0.00 60.65 57.85 2otu s ILE 62 Cb 0.00 -4.00 -0.14 0.00 -1.58 0.00 0.00 42.46 36.74 2otu s ILE 62 CO 0.00 -0.36 1.41 -2.65 -1.23 0.00 0.00 174.94 172.11 2otu n PRO 63 N 5.58 1.91 0.07 2.79 -0.02 -1.26 -4.86 135.00 139.21 2otu n PRO 63 Ca -0.07 0.68 0.21 0.00 -2.02 0.00 0.00 63.50 62.30 2otu n PRO 63 Cb 0.48 -2.34 0.71 0.00 -0.02 0.00 0.00 33.50 32.33 2otu n PRO 63 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2otu h ASP 64 N 4.46 0.00 0.07 2.55 2.03 -2.00 0.19 116.42 123.71 2otu h ASP 64 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2otu h ASP 64 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 2otu h ASP 64 CO 0.78 0.00 0.00 -2.11 -1.03 0.00 0.00 179.24 176.88 2otu n ARG 65 N -3.60 0.25 -3.59 4.15 1.85 -1.26 -4.45 116.66 110.01 2otu n ARG 65 Ca 0.09 0.07 -0.38 0.00 -1.00 0.00 0.00 57.85 56.63 2otu n ARG 65 Cb 0.71 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.52 2otu n ARG 65 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2otu s PHE 66 N -2.21 3.25 0.08 2.89 0.08 0.66 -1.53 117.98 121.19 2otu s PHE 66 Ca 0.13 0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.36 2otu s PHE 66 Cb 0.07 -2.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 2otu s PHE 66 CO 0.13 -0.11 -0.06 -1.54 -0.10 0.00 0.00 175.22 173.54 2otu s SER 67 N 1.58 0.94 0.06 1.36 1.04 -0.49 -4.98 113.70 113.21 2otu s SER 67 Ca 0.08 -0.96 0.04 0.00 0.48 0.00 0.00 55.95 55.60 2otu s SER 67 Cb -0.15 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 2otu s SER 67 CO 0.09 -0.47 -0.13 -0.83 0.98 0.00 0.00 173.24 172.88 2otu s GLY 68 N -2.86 0.78 0.30 7.32 0.00 -1.26 -0.40 107.32 111.19 2otu s GLY 68 Ca 0.08 -0.92 -0.09 0.00 0.00 0.00 0.00 44.72 43.80 2otu s GLY 68 CO -0.06 -0.94 0.50 -1.35 0.00 0.00 0.00 173.10 171.26 2otu s SER 69 N -1.59 0.31 0.24 1.64 1.04 -1.09 -4.84 113.70 109.42 2otu s SER 69 Ca -0.03 -1.18 -0.02 0.00 0.48 0.00 0.00 55.95 55.20 2otu s SER 69 Cb -0.10 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 2otu s SER 69 CO 0.02 -1.25 0.25 -0.44 0.98 0.00 0.00 173.24 172.79 2otu s SER 70 N -3.11 0.41 -0.30 7.02 0.01 -1.26 -0.17 113.70 116.30 2otu s SER 70 Ca 0.25 -1.37 -0.09 0.00 1.31 0.00 0.00 55.95 56.05 2otu s SER 70 Cb -0.01 0.47 0.19 0.00 0.21 0.00 0.00 66.02 66.88 2otu s SER 70 CO 0.14 -0.97 0.99 -0.55 0.41 0.00 0.00 173.24 173.25 2otu s SER 71 N -3.17 -0.58 1.64 2.44 0.15 -0.39 -4.90 113.70 108.89 2otu s SER 71 Ca 0.36 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2otu s SER 71 Cb 0.04 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 2otu s SER 71 CO 0.15 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2otu n GLY 72 N 5.20 2.79 0.28 9.45 0.00 -1.26 -1.20 105.19 120.46 2otu n GLY 72 Ca 0.06 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 11.36 2.70 -2.29 4.61 0.00 -1.26 -4.79 120.51 130.84 2otu n ALA 73 Ca 0.00 -0.36 -0.39 0.00 0.00 0.00 0.00 53.44 52.69 2otu n ALA 73 Cb 0.00 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.15 7.12 -0.09 0.00 1.01 -0.34 -0.92 116.67 121.30 2otu s ASP 74 Ca 0.36 1.33 0.02 0.00 0.71 0.00 0.00 52.55 54.98 2otu s ASP 74 Cb 0.21 -2.40 0.01 0.00 1.01 0.00 0.00 42.92 41.75 2otu s ASP 74 CO 0.39 0.18 -0.15 -0.13 0.21 0.00 0.00 175.17 175.68 2otu s ARG 75 N -0.74 2.12 0.18 8.23 1.81 0.19 -1.27 118.95 129.48 2otu s ARG 75 Ca 0.32 -0.54 0.09 0.00 -1.72 0.00 0.00 55.73 53.88 2otu s ARG 75 Cb -0.20 -1.77 -0.04 0.00 -0.45 0.00 0.00 34.95 32.49 2otu s ARG 75 CO 0.20 -0.01 -0.11 0.71 -0.68 0.00 0.00 175.30 175.41 2otu s TYR 76 N 0.83 2.60 -0.22 -0.53 1.51 0.77 -1.18 117.35 121.13 2otu s TYR 76 Ca -0.10 -0.23 -0.01 0.00 -1.01 0.00 0.00 57.07 55.72 2otu s TYR 76 Cb -0.15 -1.27 0.06 0.00 -0.11 0.00 0.00 41.96 40.49 2otu s TYR 76 CO 0.01 0.51 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.79 2otu s LEU 77 N -2.83 2.02 -0.21 -1.29 2.96 -0.73 -2.68 118.68 115.91 2otu s LEU 77 Ca 0.25 -1.07 -0.07 0.00 -0.22 0.00 0.00 54.13 53.02 2otu s LEU 77 Cb -0.09 -0.93 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 2otu s LEU 77 CO 0.15 -0.28 0.06 -0.44 -1.32 0.00 0.00 176.35 174.52 2otu s SER 78 N 1.59 5.31 -0.30 3.68 0.01 0.46 -1.13 113.70 123.31 2otu s SER 78 Ca -0.03 -0.08 -0.04 0.00 1.31 0.00 0.00 55.95 57.11 2otu s SER 78 Cb -0.18 -1.93 0.04 0.00 0.21 0.00 0.00 66.02 64.16 2otu s SER 78 CO -0.08 0.07 0.03 -0.63 0.41 0.00 0.00 173.24 173.04 2otu s ILE 79 N 1.01 3.37 -0.12 1.44 1.01 -0.50 -1.40 121.20 126.01 2otu s ILE 79 Ca 0.04 -1.13 -0.07 0.00 0.00 0.00 0.00 60.65 59.49 2otu s ILE 79 Cb -0.14 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 2otu s ILE 79 CO 0.03 -0.05 0.13 -0.94 0.00 0.00 0.00 174.94 174.11 2otu s SER 80 N 1.35 6.32 -0.54 3.58 1.04 -0.59 -1.68 113.70 123.18 2otu s SER 80 Ca -0.02 0.45 -0.03 0.00 0.48 0.00 0.00 55.95 56.83 2otu s SER 80 Cb -0.19 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 63.90 2otu s SER 80 CO 0.00 0.41 0.47 -3.20 0.98 0.00 0.00 173.24 171.90 2otu n ASN 81 N 1.99 -3.42 -4.28 7.02 4.05 -1.16 -4.76 115.26 114.71 2otu n ASN 81 Ca -0.20 -0.23 -0.61 0.00 0.45 0.00 0.00 54.58 53.99 2otu n ASN 81 Cb 0.55 -2.36 -0.10 0.00 1.23 0.00 0.00 39.78 39.10 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 -3.26 0.00 -3.39 -1.44 5.41 -0.41 -4.39 119.36 111.88 2otu n ILE 82 Ca -0.02 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.52 2otu n ILE 82 Cb 0.53 -0.46 0.00 0.00 -0.71 0.00 0.00 39.64 39.00 2otu n ILE 82 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2otu s GLN 83 N 3.56 2.51 0.35 0.38 -1.52 -1.26 0.74 119.66 124.42 2otu s GLN 83 Ca 1.01 -1.57 0.11 0.00 -1.95 0.00 0.00 55.36 52.95 2otu s GLN 83 Cb -1.39 -2.47 0.65 0.00 -0.22 0.00 0.00 33.01 29.58 2otu s GLN 83 CO 0.72 -0.42 1.80 -1.00 -0.25 0.00 0.00 175.29 176.14 2otu h PRO 84 N 0.72 0.08 0.00 2.91 0.13 -1.94 -2.61 132.00 131.30 2otu h PRO 84 Ca -0.38 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2otu h PRO 84 Cb 1.28 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2otu h PRO 84 CO 0.51 0.44 0.00 -0.85 -0.23 0.00 0.00 178.00 177.88 2otu n GLU 85 N -4.09 0.54 0.11 0.86 0.00 -1.26 -2.97 120.64 113.82 2otu n GLU 85 Ca -0.02 0.03 0.13 0.00 0.00 0.00 0.00 57.16 57.30 2otu n GLU 85 Cb 0.42 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.64 2otu n GLU 85 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2otu h ASP 86 N 0.00 0.00 -2.10 -1.84 3.32 -1.86 -3.44 116.42 110.49 2otu h ASP 86 Ca 0.00 -0.07 -0.58 0.00 0.02 0.00 0.00 57.03 56.41 2otu h ASP 86 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2otu h ASP 86 CO 0.00 0.03 1.43 -0.70 -1.72 0.00 0.00 179.24 178.29 2otu s GLU 87 N -3.15 3.31 0.28 3.56 2.12 -1.16 -4.83 118.70 118.83 2otu s GLU 87 Ca 0.08 2.09 -0.19 0.00 0.36 0.00 0.00 54.97 57.31 2otu s GLU 87 Cb 0.12 -4.33 0.07 0.00 0.26 0.00 0.00 34.13 30.25 2otu s GLU 87 CO 0.65 -1.90 0.94 0.00 -0.54 0.00 0.00 175.26 174.41 2otu s ALA 88 N 7.58 -1.18 -0.16 6.30 0.00 -1.20 -4.74 121.76 128.36 2otu s ALA 88 Ca 0.97 -0.58 -0.06 0.00 0.00 0.00 0.00 51.96 52.29 2otu s ALA 88 Cb -0.34 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 2otu s ALA 88 CO 0.36 -1.03 0.04 0.42 0.00 0.00 0.00 175.76 175.55 2otu s ILE 89 N -2.07 4.62 -0.20 0.00 1.01 -0.70 -1.28 121.20 122.58 2otu s ILE 89 Ca 0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.71 2otu s ILE 89 Cb -0.04 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 2otu s ILE 89 CO 0.08 0.50 -0.04 -0.31 0.00 0.00 0.00 174.94 175.18 2otu s TYR 90 N 0.04 2.97 -0.07 3.97 2.02 -0.24 -0.92 117.35 125.11 2otu s TYR 90 Ca 0.05 -0.75 0.04 0.00 -0.37 0.00 0.00 57.07 56.04 2otu s TYR 90 Cb -0.12 -2.07 -0.00 0.00 -0.40 0.00 0.00 41.96 39.37 2otu s TYR 90 CO 0.01 -0.41 -0.21 0.42 -1.57 0.00 0.00 175.55 173.79 2otu s ILE 91 N 1.19 1.82 0.12 2.71 1.09 -0.02 -0.48 121.20 127.62 2otu s ILE 91 Ca 0.02 -0.90 0.01 0.00 -1.10 0.00 0.00 60.65 58.68 2otu s ILE 91 Cb -0.14 -1.56 -0.04 0.00 -1.06 0.00 0.00 42.46 39.65 2otu s ILE 91 CO -0.01 0.51 0.26 0.00 -0.10 0.00 0.00 174.94 175.61 2otu s GLY 93 N -2.97 0.45 -0.11 0.00 0.00 0.28 0.17 107.32 105.13 2otu s GLY 93 Ca 0.35 -1.11 -0.07 0.00 0.00 0.00 0.00 44.72 43.89 2otu s GLY 93 CO 0.28 -1.21 0.26 0.54 0.00 0.00 0.00 173.10 172.97 2otu s VAL 94 N -3.47 -0.02 0.15 1.40 0.11 -0.03 -0.70 120.40 117.83 2otu s VAL 94 Ca 0.03 0.09 0.09 0.00 -2.93 0.00 0.00 61.98 59.26 2otu s VAL 94 Cb 0.05 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 2otu s VAL 94 CO -0.08 0.03 -0.16 -0.83 -3.33 0.00 0.00 175.10 170.74 2otu s GLY 95 N 0.82 1.71 -0.37 6.54 0.00 -1.26 -0.95 107.32 113.81 2otu s GLY 95 Ca -0.06 -1.42 0.02 0.00 0.00 0.00 0.00 44.72 43.26 2otu s GLY 95 CO -0.05 -1.42 0.30 -0.35 0.00 0.00 0.00 173.10 171.58 2otu s ASP 96 N -2.43 2.03 -0.65 1.64 3.68 0.21 -4.97 116.67 116.19 2otu s ASP 96 Ca 0.21 -2.04 -0.04 0.00 2.13 0.00 0.00 52.55 52.80 2otu s ASP 96 Cb -0.10 0.01 -0.06 0.00 -1.45 0.00 0.00 42.92 41.33 2otu s ASP 96 CO 0.12 -0.27 1.96 0.35 0.13 0.00 0.00 175.17 177.46 2otu n THR 97 N 3.97 1.98 -2.17 1.71 -2.24 -1.26 -2.21 114.28 114.06 2otu n THR 97 Ca 0.14 -1.15 -0.42 0.00 -2.27 0.00 0.00 64.05 60.34 2otu n THR 97 Cb 0.41 -1.99 -0.03 0.00 -2.10 0.00 0.00 70.33 66.63 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 3.35 3.73 0.31 2.28 1.01 -1.26 -4.90 121.20 125.72 2otu s ILE 98 Ca 0.34 1.01 0.07 0.00 0.00 0.00 0.00 60.65 62.07 2otu s ILE 98 Cb 0.10 -3.65 0.30 0.00 0.01 0.00 0.00 42.46 39.22 2otu s ILE 98 CO -0.02 -0.04 1.73 0.50 0.00 0.00 0.00 174.94 177.10 2otu h LYS 99 N 8.46 0.57 -0.68 2.79 3.64 -2.01 -0.26 116.57 129.08 2otu h LYS 99 Ca -0.37 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.91 2otu h LYS 99 Cb 1.17 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 2otu h LYS 99 CO 0.93 0.37 0.14 0.93 -2.27 0.00 0.00 179.45 179.55 2otu h GLU 100 N 0.58 1.11 -1.17 1.90 3.07 -1.99 -3.43 114.58 114.65 2otu h GLU 100 Ca 0.61 -0.28 0.12 0.00 -0.50 0.00 0.00 59.36 59.31 2otu h GLU 100 Cb 1.11 -0.14 -0.21 0.00 -0.84 0.00 0.00 28.75 28.67 2otu h GLU 100 CO -0.46 1.00 -0.10 -1.14 -1.40 0.00 0.00 179.01 176.90 2otu s GLN 101 N -5.25 0.48 0.56 2.33 2.00 -0.13 -5.15 119.66 114.50 2otu s GLN 101 Ca -0.12 0.99 -0.20 0.00 -2.00 0.00 0.00 55.36 54.03 2otu s GLN 101 Cb 0.15 0.57 -0.04 0.00 0.80 0.00 0.00 33.01 34.49 2otu s GLN 101 CO 0.85 -0.37 1.23 -0.06 -0.50 0.00 0.00 175.29 176.43 2otu s PHE 102 N 2.83 2.44 -0.01 1.67 2.99 -1.07 -4.05 117.98 122.77 2otu s PHE 102 Ca 0.07 1.49 0.01 0.00 0.00 0.00 0.00 56.93 58.50 2otu s PHE 102 Cb -0.12 -3.53 0.01 0.00 0.00 0.00 0.00 43.02 39.38 2otu s PHE 102 CO -0.18 -2.24 -0.01 0.08 -0.00 0.00 0.00 175.22 172.86 2otu s VAL 103 N -1.53 0.17 -0.05 -0.44 1.01 -0.94 -4.93 120.40 113.69 2otu s VAL 103 Ca 0.74 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.67 2otu s VAL 103 Cb -0.32 -0.19 0.04 0.00 0.00 0.00 0.00 36.38 35.91 2otu s VAL 103 CO 0.36 0.08 0.10 -0.47 0.00 0.00 0.00 175.10 175.17 2otu s TYR 104 N 0.30 -0.06 -0.05 5.22 5.04 -1.26 -0.62 117.35 125.92 2otu s TYR 104 Ca -0.03 0.38 0.06 0.00 -2.44 0.00 0.00 57.07 55.05 2otu s TYR 104 Cb -0.05 -0.28 -0.01 0.00 0.35 0.00 0.00 41.96 41.96 2otu s TYR 104 CO -0.01 -0.19 -0.25 0.08 -1.34 0.00 0.00 175.55 173.85 2otu s VAL 105 N 1.76 2.10 0.05 3.14 1.01 -0.13 -4.97 120.40 123.37 2otu s VAL 105 Ca -0.02 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 60.94 2otu s VAL 105 Cb -0.12 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2otu s VAL 105 CO -0.04 0.57 -0.04 -0.36 0.00 0.00 0.00 175.10 175.23 2otu s PHE 106 N -0.30 2.93 0.94 5.22 0.40 -1.26 -0.85 117.98 125.06 2otu s PHE 106 Ca 0.01 -0.04 -0.14 0.00 -0.60 0.00 0.00 56.93 56.16 2otu s PHE 106 Cb -0.13 -1.56 0.16 0.00 0.51 0.00 0.00 43.02 42.01 2otu s PHE 106 CO 0.02 0.44 1.20 0.20 0.70 0.00 0.00 175.22 177.78 2otu s GLY 107 N -1.92 1.64 0.15 4.36 0.00 0.13 -4.77 107.32 106.90 2otu s GLY 107 Ca 0.22 -0.80 0.22 0.00 0.00 0.00 0.00 44.72 44.35 2otu s GLY 107 CO 0.13 -0.16 1.68 0.61 0.00 0.00 0.00 173.10 175.36 2otu n GLY 108 N -2.75 -1.30 0.00 0.20 0.00 -1.26 -4.74 105.19 95.34 2otu n GLY 108 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.41 -0.21 2.93 -0.02 0.00 -1.26 -5.02 105.19 102.02 2otu n GLY 109 Ca 0.04 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.69 1.27 -0.37 2.61 2.01 0.37 -4.82 115.64 114.02 2otu s THR 110 Ca 0.00 -0.65 -0.29 0.00 0.31 0.00 0.00 61.69 61.06 2otu s THR 110 Cb 0.00 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.17 2otu s THR 110 CO 0.00 0.22 1.14 -0.54 -0.69 0.00 0.00 174.62 174.75 2otu s LYS 111 N 1.58 3.93 -0.78 4.92 1.02 -1.26 -1.08 119.74 128.06 2otu s LYS 111 Ca 0.02 0.94 -0.15 0.00 0.02 0.00 0.00 55.97 56.80 2otu s LYS 111 Cb -0.15 -3.82 0.20 0.00 -0.52 0.00 0.00 37.83 33.54 2otu s LYS 111 CO -0.08 -1.10 0.75 0.08 -0.92 0.00 0.00 175.35 174.08 2otu s VAL 112 N 4.05 5.47 0.18 3.17 1.01 -0.41 -2.29 120.40 131.59 2otu s VAL 112 Ca 0.48 -2.21 -0.28 0.00 0.00 0.00 0.00 61.98 59.97 2otu s VAL 112 Cb -0.11 -4.47 -0.08 0.00 0.00 0.00 0.00 36.38 31.72 2otu s VAL 112 CO 0.22 -1.04 0.86 -0.89 0.00 0.00 0.00 175.10 174.26 2otu s THR 113 N 0.63 4.30 -0.31 3.92 2.01 -0.76 -3.22 115.64 122.22 2otu s THR 113 Ca 0.16 1.90 0.02 0.00 0.31 0.00 0.00 61.69 64.09 2otu s THR 113 Cb -0.13 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.16 2otu s THR 113 CO -0.07 0.47 0.58 0.52 -0.69 0.00 0.00 174.62 175.43