#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 3.72 -0.18 3.17 -0.21 -1.26 -5.01 119.66 119.90 2otu s GLN 1 Ca 0.00 0.59 -0.29 0.00 0.02 0.00 0.00 55.36 55.68 2otu s GLN 1 Cb 0.00 -2.25 -0.01 0.00 1.00 0.00 0.00 33.01 31.74 2otu s GLN 1 CO 0.00 -0.25 1.30 -1.17 -2.12 0.00 0.00 175.29 173.05 2otu s LEU 2 N -4.41 4.13 0.02 2.90 2.96 -1.26 -4.86 118.68 118.16 2otu s LEU 2 Ca 0.53 1.65 0.01 0.00 -0.22 0.00 0.00 54.13 56.09 2otu s LEU 2 Cb -0.10 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 2otu s LEU 2 CO 0.40 -0.83 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.86 2otu s VAL 3 N 3.72 0.24 -0.11 1.68 1.01 -1.26 -4.94 120.40 120.73 2otu s VAL 3 Ca 0.56 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.87 2otu s VAL 3 Cb -0.22 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 35.86 2otu s VAL 3 CO 0.17 -0.30 -0.19 -0.76 0.00 0.00 0.00 175.10 174.02 2otu s LEU 4 N -1.06 1.92 -0.15 3.92 1.43 -1.26 -1.79 118.68 121.69 2otu s LEU 4 Ca -0.09 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 2otu s LEU 4 Cb -0.07 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 2otu s LEU 4 CO -0.00 0.07 -0.15 -0.89 0.23 0.00 0.00 176.35 175.61 2otu s THR 5 N 0.77 2.77 0.17 5.49 2.01 -0.18 -4.36 115.64 122.31 2otu s THR 5 Ca -0.10 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.21 2otu s THR 5 Cb -0.16 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 2otu s THR 5 CO 0.01 0.51 0.12 -1.10 -0.69 0.00 0.00 174.62 173.48 2otu s GLN 6 N 0.71 2.84 0.96 4.92 -0.21 -1.26 0.70 119.66 128.32 2otu s GLN 6 Ca -0.07 -0.92 -0.12 0.00 0.02 0.00 0.00 55.36 54.28 2otu s GLN 6 Cb -0.15 -2.60 0.17 0.00 1.00 0.00 0.00 33.01 31.42 2otu s GLN 6 CO 0.02 0.47 1.09 -1.54 -2.12 0.00 0.00 175.29 173.21 2otu s SER 7 N -3.15 2.84 0.45 5.90 1.04 0.03 -4.98 113.70 115.83 2otu s SER 7 Ca 0.31 1.61 -0.22 0.00 0.48 0.00 0.00 55.95 58.12 2otu s SER 7 Cb -0.10 -2.26 -0.08 0.00 0.10 0.00 0.00 66.02 63.68 2otu s SER 7 CO 0.23 -3.06 1.10 -0.44 0.98 0.00 0.00 173.24 172.05 2otu s SER 8 N -3.11 6.37 0.76 7.02 0.01 -1.26 -4.63 113.70 118.86 2otu s SER 8 Ca 0.65 2.13 -0.15 0.00 1.31 0.00 0.00 55.95 59.89 2otu s SER 8 Cb -0.20 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.45 2otu s SER 8 CO 0.59 -0.77 0.83 -1.20 0.41 0.00 0.00 173.24 173.10 2otu n SER 9 N -0.50 -0.13 -3.54 2.44 7.64 -1.26 -4.86 113.62 113.41 2otu n SER 9 Ca 0.07 0.60 -0.11 0.00 1.01 0.00 0.00 58.87 60.45 2otu n SER 9 Cb 0.50 -1.35 -0.02 0.00 -1.01 0.00 0.00 64.21 62.32 2otu n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2otu s ALA 10 N -1.95 -1.47 -0.01 -0.43 0.00 -0.67 -4.93 121.76 112.29 2otu s ALA 10 Ca 0.70 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.96 2otu s ALA 10 Cb -0.32 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 2otu s ALA 10 CO 0.54 -0.83 -0.13 -1.12 0.00 0.00 0.00 175.76 174.22 2otu s SER 11 N -2.80 4.17 0.19 0.00 0.01 -1.26 -1.11 113.70 112.90 2otu s SER 11 Ca 0.04 -0.23 0.05 0.00 1.31 0.00 0.00 55.95 57.12 2otu s SER 11 Cb -0.02 -0.87 -0.05 0.00 0.21 0.00 0.00 66.02 65.29 2otu s SER 11 CO -0.08 0.30 -0.09 -0.36 0.41 0.00 0.00 173.24 173.42 2otu s PHE 12 N -0.87 1.49 -0.04 2.43 0.40 0.18 -4.93 117.98 116.64 2otu s PHE 12 Ca 0.14 -0.73 -0.14 0.00 -0.60 0.00 0.00 56.93 55.60 2otu s PHE 12 Cb -0.11 -0.76 -0.05 0.00 0.51 0.00 0.00 43.02 42.61 2otu s PHE 12 CO 0.04 0.16 0.38 -1.12 0.70 0.00 0.00 175.22 175.38 2otu s SER 13 N -3.25 6.72 -0.02 1.36 0.01 -1.26 -4.29 113.70 112.97 2otu s SER 13 Ca 0.21 0.86 -0.37 0.00 1.31 0.00 0.00 55.95 57.96 2otu s SER 13 Cb 0.02 -2.23 -0.16 0.00 0.21 0.00 0.00 66.02 63.86 2otu s SER 13 CO 0.04 0.27 1.48 -0.11 0.41 0.00 0.00 173.24 175.34 2otu n LEU 14 N 2.22 1.98 0.00 2.44 0.00 -1.26 0.96 117.00 123.33 2otu n LEU 14 Ca -0.14 1.10 0.00 0.00 0.00 0.00 0.00 56.01 56.98 2otu n LEU 14 Cb 0.52 -1.19 0.00 0.00 0.00 0.00 0.00 43.42 42.75 2otu n LEU 14 CO 0.38 -0.81 0.00 0.61 0.00 0.00 0.00 177.39 177.57 2otu n GLY 15 N 3.09 3.23 3.37 -3.96 0.00 -0.27 -4.92 105.19 105.74 2otu n GLY 15 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.99 -3.65 -3.17 4.61 0.00 0.27 -3.31 120.51 114.27 2otu n ALA 16 Ca 0.00 -1.42 -0.32 0.00 0.00 0.00 0.00 53.44 51.70 2otu n ALA 16 Cb 0.00 -1.83 -0.16 0.00 0.00 0.00 0.00 19.45 17.46 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 -2.48 3.39 0.12 0.00 0.01 -1.26 -0.65 113.70 112.83 2otu s SER 17 Ca 0.67 -0.48 0.08 0.00 1.31 0.00 0.00 55.95 57.53 2otu s SER 17 Cb -0.21 -1.47 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 2otu s SER 17 CO 0.63 0.16 -0.14 0.00 0.41 0.00 0.00 173.24 174.30 2otu s ALA 18 N 0.34 2.81 -0.21 1.44 0.00 0.16 -4.97 121.76 121.33 2otu s ALA 18 Ca -0.16 -1.33 -0.04 0.00 0.00 0.00 0.00 51.96 50.43 2otu s ALA 18 Cb -0.17 -0.75 0.10 0.00 0.00 0.00 0.00 23.12 22.30 2otu s ALA 18 CO 0.08 0.60 0.23 0.21 0.00 0.00 0.00 175.76 176.87 2otu s LYS 19 N -2.25 0.20 0.14 0.00 2.20 -1.26 -0.02 119.74 118.75 2otu s LYS 19 Ca 0.20 0.19 -0.02 0.00 -0.36 0.00 0.00 55.97 55.98 2otu s LYS 19 Cb -0.11 -1.17 -0.05 0.00 -1.51 0.00 0.00 37.83 34.99 2otu s LYS 19 CO 0.12 -0.67 0.33 -0.51 -0.36 0.00 0.00 175.35 174.26 2otu s LEU 20 N 2.33 4.28 -0.05 5.43 1.02 0.03 -4.93 118.68 126.80 2otu s LEU 20 Ca 0.07 0.45 0.05 0.00 0.02 0.00 0.00 54.13 54.72 2otu s LEU 20 Cb -0.16 -3.18 -0.01 0.00 0.02 0.00 0.00 46.19 42.87 2otu s LEU 20 CO -0.13 0.06 -0.21 -0.89 0.02 0.00 0.00 176.35 175.20 2otu s THR 21 N -1.67 1.74 -0.15 5.49 2.01 -1.26 -1.91 115.64 119.88 2otu s THR 21 Ca 0.39 -0.89 -0.00 0.00 0.31 0.00 0.00 61.69 61.49 2otu s THR 21 Cb -0.12 -1.48 0.03 0.00 0.01 0.00 0.00 72.50 70.94 2otu s THR 21 CO 0.27 0.49 -0.09 0.00 -0.69 0.00 0.00 174.62 174.60 2otu s THR 23 N 1.59 4.52 0.34 0.00 2.01 0.22 -1.08 115.64 123.24 2otu s THR 23 Ca 0.03 -0.12 -0.19 0.00 0.31 0.00 0.00 61.69 61.71 2otu s THR 23 Cb -0.14 -3.07 -0.10 0.00 0.01 0.00 0.00 72.50 69.21 2otu s THR 23 CO -0.09 0.41 0.84 -0.76 -0.69 0.00 0.00 174.62 174.33 2otu s LEU 24 N 0.93 4.11 0.28 4.42 1.43 -0.03 -1.01 118.68 128.81 2otu s LEU 24 Ca 0.04 1.53 -0.30 0.00 -1.03 0.00 0.00 54.13 54.36 2otu s LEU 24 Cb -0.14 -4.15 -0.11 0.00 0.03 0.00 0.00 46.19 41.82 2otu s LEU 24 CO 0.03 -0.20 1.50 -0.94 0.23 0.00 0.00 176.35 176.97 2otu s SER 25 N -2.04 6.51 0.34 2.29 1.04 -0.74 -4.80 113.70 116.30 2otu s SER 25 Ca 0.54 2.82 0.14 0.00 0.48 0.00 0.00 55.95 59.94 2otu s SER 25 Cb -0.12 -2.63 1.12 0.00 0.10 0.00 0.00 66.02 64.48 2otu s SER 25 CO 0.17 -0.80 1.62 0.77 0.98 0.00 0.00 173.24 175.98 2otu h SER 26 N 4.71 0.29 0.22 7.02 4.64 -1.94 0.33 113.55 128.81 2otu h SER 26 Ca -0.47 0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2otu h SER 26 Cb 1.22 0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 63.55 2otu h SER 26 CO 0.77 -0.28 -0.01 -0.61 -0.87 0.00 0.00 176.83 175.83 2otu h GLN 27 N 0.16 0.00 -0.56 4.77 4.15 -1.94 -2.45 115.11 119.23 2otu h GLN 27 Ca 0.75 0.00 -0.41 0.00 0.77 0.00 0.00 58.65 59.75 2otu h GLN 27 Cb 1.79 0.00 -0.34 0.00 0.21 0.00 0.00 27.48 29.14 2otu h GLN 27 CO -0.70 0.01 -0.78 0.72 -1.93 0.00 0.00 178.83 176.15 2otu n HIS 28 N -3.22 2.05 0.29 3.99 -0.00 0.12 -4.84 115.22 113.59 2otu n HIS 28 Ca -0.02 -2.04 0.18 0.00 -0.00 0.00 0.00 57.72 55.84 2otu n HIS 28 Cb 0.13 -0.31 0.94 0.00 -0.00 0.00 0.00 29.99 30.75 2otu n HIS 28 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2otu h SER 29 N 1.95 0.00 -0.12 0.41 4.64 -1.30 -2.50 113.55 116.63 2otu h SER 29 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2otu h SER 29 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 2otu h SER 29 CO 0.56 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.87 2otu n THR 30 N -2.80 0.14 -1.97 2.95 -2.24 -1.26 -4.21 114.28 104.89 2otu n THR 30 Ca -0.02 -0.57 -0.37 0.00 -2.27 0.00 0.00 64.05 60.83 2otu n THR 30 Cb 0.10 1.33 0.03 0.00 -2.10 0.00 0.00 70.33 69.70 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 -1.75 2.38 -0.09 4.78 1.51 -0.94 -4.41 117.35 118.83 2otu s TYR 31 Ca 0.29 1.49 -0.15 0.00 -1.01 0.00 0.00 57.07 57.69 2otu s TYR 31 Cb 0.19 -3.55 -0.05 0.00 -0.11 0.00 0.00 41.96 38.44 2otu s TYR 31 CO 0.28 -2.35 0.39 0.99 -1.11 0.00 0.00 175.55 173.75 2otu s THR 32 N -1.51 5.17 0.44 -0.71 2.01 -1.26 -4.34 115.64 115.44 2otu s THR 32 Ca 0.76 0.78 0.05 0.00 0.31 0.00 0.00 61.69 63.59 2otu s THR 32 Cb -0.33 -3.71 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 2otu s THR 32 CO 0.36 0.45 0.01 0.27 -0.69 0.00 0.00 174.62 175.02 2otu s ILE 33 N -0.11 1.72 0.06 1.82 -4.36 -0.56 -4.55 121.20 115.23 2otu s ILE 33 Ca 0.22 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.70 2otu s ILE 33 Cb -0.15 -2.74 -0.03 0.00 1.25 0.00 0.00 42.46 40.79 2otu s ILE 33 CO 0.09 0.00 -0.23 -1.61 0.24 0.00 0.00 174.94 173.43 2otu s GLU 34 N -3.76 1.47 -0.08 0.37 8.01 -0.05 -0.17 118.70 124.48 2otu s GLU 34 Ca 0.26 -1.07 0.00 0.00 0.01 0.00 0.00 54.97 54.18 2otu s GLU 34 Cb 0.07 -1.67 -0.03 0.00 -4.31 0.00 0.00 34.13 28.20 2otu s GLU 34 CO 0.13 0.42 -0.07 -1.58 0.01 0.00 0.00 175.26 174.17 2otu s TRP 35 N -0.88 2.94 0.10 1.61 0.52 0.04 -0.90 118.94 122.37 2otu s TRP 35 Ca 0.09 -0.05 0.08 0.00 0.02 0.00 0.00 56.10 56.24 2otu s TRP 35 Cb -0.09 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 2otu s TRP 35 CO 0.03 0.27 -0.19 0.71 0.02 0.00 0.00 176.95 177.78 2otu s TYR 36 N -0.63 1.68 -0.07 -1.98 1.51 0.16 -0.49 117.35 117.54 2otu s TYR 36 Ca 0.09 -0.43 0.05 0.00 -1.01 0.00 0.00 57.07 55.77 2otu s TYR 36 Cb -0.12 -0.92 -0.01 0.00 -0.11 0.00 0.00 41.96 40.81 2otu s TYR 36 CO 0.02 0.18 -0.23 -1.14 -1.11 0.00 0.00 175.55 173.27 2otu s GLN 37 N -1.94 2.51 -0.20 -0.62 0.74 0.21 -1.18 119.66 119.17 2otu s GLN 37 Ca 0.05 -0.83 -0.01 0.00 0.05 0.00 0.00 55.36 54.62 2otu s GLN 37 Cb -0.10 -2.06 0.06 0.00 1.10 0.00 0.00 33.01 32.01 2otu s GLN 37 CO 0.04 0.29 -0.00 -1.14 -0.55 0.00 0.00 175.29 173.93 2otu s GLN 38 N 0.04 1.03 0.44 1.67 0.74 0.16 0.02 119.66 123.76 2otu s GLN 38 Ca -0.08 -0.61 -0.08 0.00 0.05 0.00 0.00 55.36 54.64 2otu s GLN 38 Cb -0.15 -2.25 -0.05 0.00 1.10 0.00 0.00 33.01 31.67 2otu s GLN 38 CO 0.05 -0.61 0.78 -0.65 -0.55 0.00 0.00 175.29 174.31 2otu s GLN 39 N 1.69 3.65 0.09 1.67 -0.21 -1.26 -1.45 119.66 123.84 2otu s GLN 39 Ca -0.02 0.33 -0.36 0.00 0.02 0.00 0.00 55.36 55.33 2otu s GLN 39 Cb -0.17 -2.38 -0.17 0.00 1.00 0.00 0.00 33.01 31.28 2otu s GLN 39 CO -0.07 -0.13 1.25 -2.30 -2.12 0.00 0.00 175.29 171.92 2otu n PRO 40 N -1.80 0.95 -1.48 2.91 -0.02 -1.26 -1.72 135.00 132.58 2otu n PRO 40 Ca 0.01 0.34 -0.17 0.00 -2.02 0.00 0.00 63.50 61.67 2otu n PRO 40 Cb 0.54 -1.92 -0.07 0.00 -0.02 0.00 0.00 33.50 32.03 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 2.25 -1.06 -4.50 2.45 4.77 -1.26 -4.97 117.00 114.68 2otu n LEU 41 Ca 0.18 0.42 -0.24 0.00 -0.03 0.00 0.00 56.01 56.33 2otu n LEU 41 Cb 0.19 -2.74 -0.10 0.00 -2.33 0.00 0.00 43.42 38.44 2otu n LEU 41 CO 0.62 -1.05 -0.44 -0.54 -1.33 0.00 0.00 177.39 174.65 2otu s LYS 42 N -3.41 1.77 0.62 3.23 1.02 -0.70 -5.13 119.74 117.14 2otu s LYS 42 Ca 0.00 -1.76 -0.14 0.00 0.02 0.00 0.00 55.97 54.08 2otu s LYS 42 Cb 0.00 -1.80 -0.02 0.00 -0.52 0.00 0.00 37.83 35.48 2otu s LYS 42 CO 0.00 0.30 1.05 -2.14 -0.92 0.00 0.00 175.35 173.64 2otu s PRO 43 N -3.55 3.23 0.63 -1.68 0.02 -1.26 -4.61 135.00 127.78 2otu s PRO 43 Ca 0.31 1.12 -0.18 0.00 0.02 0.00 0.00 61.00 62.26 2otu s PRO 43 Cb -0.04 -2.02 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 2otu s PRO 43 CO 0.16 -0.87 1.27 -2.14 -0.33 0.00 0.00 177.00 175.09 2otu s PRO 44 N -4.37 2.69 -0.05 5.54 0.02 -1.26 -4.66 135.00 132.92 2otu s PRO 44 Ca 0.62 2.01 0.05 0.00 0.02 0.00 0.00 61.00 63.69 2otu s PRO 44 Cb -0.15 -1.89 -0.00 0.00 0.02 0.00 0.00 34.50 32.48 2otu s PRO 44 CO 0.42 -1.47 -0.20 0.21 -0.33 0.00 0.00 177.00 175.63 2otu s LYS 45 N -3.34 2.08 0.02 5.54 2.20 0.10 -4.93 119.74 121.40 2otu s LYS 45 Ca 0.81 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 55.41 2otu s LYS 45 Cb -0.36 -1.77 -0.06 0.00 -1.51 0.00 0.00 37.83 34.13 2otu s LYS 45 CO 0.38 0.27 1.47 -0.47 -0.36 0.00 0.00 175.35 176.64 2otu s TYR 46 N 0.02 2.72 -0.25 4.03 5.04 -1.26 -0.62 117.35 127.03 2otu s TYR 46 Ca -0.05 0.68 -0.15 0.00 -2.44 0.00 0.00 57.07 55.11 2otu s TYR 46 Cb -0.13 -3.74 -0.11 0.00 0.35 0.00 0.00 41.96 38.32 2otu s TYR 46 CO 0.03 -2.83 -0.29 0.28 -1.34 0.00 0.00 175.55 171.40 2otu n VAL 47 N 4.70 1.52 -3.53 3.14 0.31 0.36 -4.47 118.33 120.36 2otu n VAL 47 Ca 0.14 -0.24 -0.07 0.00 -0.01 0.00 0.00 64.34 64.16 2otu n VAL 47 Cb 0.43 -2.00 -0.02 0.00 -0.91 0.00 0.00 33.84 31.34 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 -2.56 0.78 -0.21 5.55 0.23 -1.17 -0.40 119.30 121.52 2otu s MET 48 Ca -0.35 -0.30 -0.05 0.00 -1.03 0.00 0.00 55.69 53.95 2otu s MET 48 Cb 0.12 0.35 -0.02 0.00 -1.53 0.00 0.00 34.83 33.74 2otu s MET 48 CO 0.48 -0.34 0.00 -2.00 -2.03 0.00 0.00 175.02 171.13 2otu s GLU 49 N -3.04 3.59 -0.16 3.16 2.12 -0.48 -0.78 118.70 123.12 2otu s GLU 49 Ca 0.06 -0.53 0.01 0.00 0.36 0.00 0.00 54.97 54.88 2otu s GLU 49 Cb -0.01 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.28 2otu s GLU 49 CO -0.08 -0.04 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.24 2otu s LEU 50 N 1.15 2.21 0.53 2.70 2.96 0.76 -1.62 118.68 127.37 2otu s LEU 50 Ca 0.03 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 2otu s LEU 50 Cb -0.14 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.08 2otu s LEU 50 CO 0.01 0.06 0.78 -0.54 -1.32 0.00 0.00 176.35 175.34 2otu s LYS 51 N 0.97 2.79 0.58 1.98 1.02 -0.22 -1.50 119.74 125.35 2otu s LYS 51 Ca -0.03 -0.48 0.27 0.00 0.02 0.00 0.00 55.97 55.76 2otu s LYS 51 Cb -0.15 -2.45 1.68 0.00 -0.52 0.00 0.00 37.83 36.40 2otu s LYS 51 CO -0.05 -0.58 2.19 1.57 -0.92 0.00 0.00 175.35 177.56 2otu h LYS 52 N 0.10 0.00 -0.35 1.68 2.10 -1.77 -1.35 116.57 116.97 2otu h LYS 52 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2otu h LYS 52 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2otu h LYS 52 CO 0.56 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.61 2otu n ASP 53 N -3.95 2.24 0.00 7.07 3.85 -1.26 -4.67 116.55 119.84 2otu n ASP 53 Ca -0.01 -1.91 0.00 0.00 -0.71 0.00 0.00 54.79 52.15 2otu n ASP 53 Cb 0.17 -0.23 0.00 0.00 -1.35 0.00 0.00 41.12 39.71 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 1.20 2.59 3.77 6.12 0.00 -0.51 -4.81 105.19 113.56 2otu n GLY 54 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.61 6.28 0.10 1.61 1.04 -1.26 -4.30 113.70 115.57 2otu s SER 55 Ca 0.00 2.60 -0.08 0.00 0.48 0.00 0.00 55.95 58.95 2otu s SER 55 Cb 0.00 -2.63 -0.01 0.00 0.10 0.00 0.00 66.02 63.48 2otu s SER 55 CO 0.00 -0.86 0.19 -1.38 0.98 0.00 0.00 173.24 172.17 2otu s HIS 56 N -1.29 0.24 -0.16 5.02 -3.43 -1.26 -1.06 115.29 113.35 2otu s HIS 56 Ca 0.58 -0.66 0.01 0.00 -0.80 0.00 0.00 55.06 54.18 2otu s HIS 56 Cb -0.37 -0.09 0.02 0.00 -1.43 0.00 0.00 32.58 30.72 2otu s HIS 56 CO 0.47 -0.57 -0.16 0.45 -2.00 0.00 0.00 174.74 172.93 2otu s SER 57 N -2.89 2.79 0.04 7.38 0.15 -0.64 -4.96 113.70 115.56 2otu s SER 57 Ca 0.08 -0.53 -0.17 0.00 0.70 0.00 0.00 55.95 56.03 2otu s SER 57 Cb 0.05 -1.25 -0.06 0.00 -1.71 0.00 0.00 66.02 63.04 2otu s SER 57 CO -0.08 -0.04 0.49 0.28 1.20 0.00 0.00 173.24 175.09 2otu s THR 58 N 1.42 4.88 0.91 6.45 -1.32 -1.26 -1.39 115.64 125.32 2otu s THR 58 Ca 0.04 1.04 -0.12 0.00 -1.21 0.00 0.00 61.69 61.45 2otu s THR 58 Cb -0.13 -3.81 0.13 0.00 -1.51 0.00 0.00 72.50 67.18 2otu s THR 58 CO -0.11 0.56 1.10 -0.83 -2.21 0.00 0.00 174.62 173.13 2otu s GLY 59 N -1.07 1.60 0.60 6.08 0.00 0.46 -4.96 107.32 110.03 2otu s GLY 59 Ca 0.27 -0.20 -0.18 0.00 0.00 0.00 0.00 44.72 44.60 2otu s GLY 59 CO 0.16 0.31 1.16 0.99 0.00 0.00 0.00 173.10 175.73 2otu s ASP 60 N -3.56 5.30 -0.21 1.64 -0.00 -1.26 -3.14 116.67 115.44 2otu s ASP 60 Ca 0.63 2.24 0.00 0.00 -0.00 0.00 0.00 52.55 55.42 2otu s ASP 60 Cb -0.17 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.16 2otu s ASP 60 CO 0.56 -1.51 0.00 0.61 -0.00 0.00 0.00 175.17 174.83 2otu n GLY 61 N 0.19 0.48 3.53 0.21 0.00 -1.26 -5.00 105.19 103.35 2otu n GLY 61 Ca 0.12 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.80 5.10 0.59 -0.61 -1.09 -1.19 -5.07 121.20 117.13 2otu s ILE 62 Ca 0.00 -0.10 -0.19 0.00 -2.23 0.00 0.00 60.65 58.14 2otu s ILE 62 Cb 0.00 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 2otu s ILE 62 CO 0.00 0.13 0.97 -2.65 -1.23 0.00 0.00 174.94 172.17 2otu n PRO 63 N 5.05 0.93 0.00 2.79 -0.02 -1.26 -4.87 135.00 137.62 2otu n PRO 63 Ca -0.14 0.36 0.07 0.00 -2.02 0.00 0.00 63.50 61.78 2otu n PRO 63 Cb 0.51 -2.17 0.44 0.00 -0.02 0.00 0.00 33.50 32.26 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 -0.72 0.00 0.08 2.55 3.85 -1.26 -2.39 116.55 118.66 2otu n ASP 64 Ca 0.13 -0.63 0.13 0.00 -0.71 0.00 0.00 54.79 53.71 2otu n ASP 64 Cb 0.47 0.00 0.46 0.00 -1.35 0.00 0.00 41.12 40.70 2otu n ASP 64 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2otu n ARG 65 N -0.92 0.17 -3.44 0.11 1.74 -1.26 -4.74 116.66 108.32 2otu n ARG 65 Ca 0.11 0.21 -0.38 0.00 -0.77 0.00 0.00 57.85 57.02 2otu n ARG 65 Cb 0.05 -1.73 -0.06 0.00 -1.02 0.00 0.00 32.46 29.70 2otu n ARG 65 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2otu s PHE 66 N -3.11 3.59 0.16 -1.55 0.08 -1.00 -1.61 117.98 114.53 2otu s PHE 66 Ca 0.10 0.87 -0.11 0.00 0.12 0.00 0.00 56.93 57.91 2otu s PHE 66 Cb 0.13 -2.39 0.00 0.00 -0.57 0.00 0.00 43.02 40.19 2otu s PHE 66 CO 0.52 0.39 0.32 -1.54 -0.10 0.00 0.00 175.22 174.81 2otu s SER 67 N -0.13 -0.02 0.12 1.36 1.04 -0.14 -4.99 113.70 110.94 2otu s SER 67 Ca 0.23 -0.74 0.04 0.00 0.48 0.00 0.00 55.95 55.97 2otu s SER 67 Cb -0.15 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 2otu s SER 67 CO 0.10 -0.90 -0.11 -0.83 0.98 0.00 0.00 173.24 172.49 2otu s GLY 68 N -2.93 0.96 0.22 7.32 0.00 -1.26 -0.09 107.32 111.54 2otu s GLY 68 Ca 0.13 -1.32 -0.16 0.00 0.00 0.00 0.00 44.72 43.37 2otu s GLY 68 CO -0.03 -1.40 0.52 -1.35 0.00 0.00 0.00 173.10 170.84 2otu s SER 69 N -2.73 -0.19 0.07 1.64 1.04 -0.95 -4.82 113.70 107.76 2otu s SER 69 Ca 0.10 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.90 2otu s SER 69 Cb -0.01 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 2otu s SER 69 CO 0.01 -1.10 -0.05 -0.44 0.98 0.00 0.00 173.24 172.64 2otu s SER 70 N -2.92 0.80 -0.28 7.02 0.01 -1.26 -0.30 113.70 116.76 2otu s SER 70 Ca 0.13 -0.94 0.02 0.00 1.31 0.00 0.00 55.95 56.46 2otu s SER 70 Cb -0.01 0.14 0.17 0.00 0.21 0.00 0.00 66.02 66.52 2otu s SER 70 CO 0.02 -0.49 0.48 -0.55 0.41 0.00 0.00 173.24 173.10 2otu s SER 71 N -2.80 -0.45 1.89 2.44 0.15 -0.56 -4.81 113.70 109.57 2otu s SER 71 Ca 0.07 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2otu s SER 71 Cb 0.04 1.52 0.00 0.00 -1.71 0.00 0.00 66.02 65.87 2otu s SER 71 CO -0.06 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2otu n GLY 72 N 5.39 3.79 0.16 9.45 0.00 -1.26 -0.21 105.19 122.50 2otu n GLY 72 Ca 0.01 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 12.07 2.64 -2.28 4.61 0.00 -1.26 -4.80 120.51 131.49 2otu n ALA 73 Ca 0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 53.44 52.78 2otu n ALA 73 Cb 0.00 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.02 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 -1.93 7.05 -0.06 0.00 1.01 0.70 -0.85 116.67 122.58 2otu s ASP 74 Ca 0.42 1.25 0.03 0.00 0.71 0.00 0.00 52.55 54.96 2otu s ASP 74 Cb 0.20 -2.35 0.01 0.00 1.01 0.00 0.00 42.92 41.79 2otu s ASP 74 CO 0.34 0.27 -0.16 -0.13 0.21 0.00 0.00 175.17 175.70 2otu s ARG 75 N -1.16 1.96 0.04 8.23 1.81 -0.24 -1.49 118.95 128.10 2otu s ARG 75 Ca 0.29 -0.56 0.09 0.00 -1.72 0.00 0.00 55.73 53.84 2otu s ARG 75 Cb -0.19 -1.60 -0.03 0.00 -0.45 0.00 0.00 34.95 32.68 2otu s ARG 75 CO 0.19 0.12 -0.26 0.71 -0.68 0.00 0.00 175.30 175.38 2otu s TYR 76 N 0.41 2.34 -0.25 -0.53 1.51 0.59 -1.17 117.35 120.25 2otu s TYR 76 Ca -0.12 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 2otu s TYR 76 Cb -0.15 -1.41 0.04 0.00 -0.11 0.00 0.00 41.96 40.33 2otu s TYR 76 CO 0.04 0.12 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.34 2otu s LEU 77 N -1.20 3.15 -0.13 -1.29 2.96 -0.81 -2.23 118.68 119.13 2otu s LEU 77 Ca 0.12 -1.04 -0.04 0.00 -0.22 0.00 0.00 54.13 52.95 2otu s LEU 77 Cb -0.10 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 2otu s LEU 77 CO 0.02 -0.14 0.02 -0.44 -1.32 0.00 0.00 176.35 174.49 2otu s SER 78 N 1.24 5.31 -0.18 3.68 0.01 0.87 -0.79 113.70 123.84 2otu s SER 78 Ca -0.02 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.32 2otu s SER 78 Cb -0.17 -1.72 0.04 0.00 0.21 0.00 0.00 66.02 64.38 2otu s SER 78 CO -0.06 0.27 -0.10 -0.63 0.41 0.00 0.00 173.24 173.14 2otu s ILE 79 N -0.25 1.50 0.09 1.44 1.01 0.97 -0.97 121.20 125.00 2otu s ILE 79 Ca 0.06 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 2otu s ILE 79 Cb -0.12 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 2otu s ILE 79 CO 0.02 0.22 0.30 -0.94 0.00 0.00 0.00 174.94 174.54 2otu s SER 80 N 1.47 6.44 -1.18 3.58 1.04 -0.64 0.37 113.70 124.78 2otu s SER 80 Ca 0.01 0.46 -0.23 0.00 0.48 0.00 0.00 55.95 56.67 2otu s SER 80 Cb -0.15 -2.04 0.01 0.00 0.10 0.00 0.00 66.02 63.93 2otu s SER 80 CO -0.09 0.13 0.73 -3.20 0.98 0.00 0.00 173.24 171.79 2otu n ASN 81 N 0.32 -4.54 -4.68 7.02 4.05 -0.87 -4.76 115.26 111.80 2otu n ASN 81 Ca -0.05 -1.09 -0.47 0.00 0.45 0.00 0.00 54.58 53.42 2otu n ASN 81 Cb 0.52 -2.89 -0.04 0.00 1.23 0.00 0.00 39.78 38.59 2otu n ASN 81 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2otu n ILE 82 N -4.44 0.48 -2.96 -1.44 3.06 0.17 -4.47 119.36 109.77 2otu n ILE 82 Ca -0.12 -0.09 -0.19 0.00 -2.50 0.00 0.00 62.75 59.86 2otu n ILE 82 Cb 0.59 -1.87 0.02 0.00 0.54 0.00 0.00 39.64 38.92 2otu n ILE 82 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 2otu s GLN 83 N 3.46 2.79 0.29 9.51 -1.52 -1.26 -1.12 119.66 131.82 2otu s GLN 83 Ca 0.89 -1.06 -0.02 0.00 -1.95 0.00 0.00 55.36 53.22 2otu s GLN 83 Cb -0.65 -2.69 0.43 0.00 -0.22 0.00 0.00 33.01 29.89 2otu s GLN 83 CO 0.47 -0.35 1.96 -1.35 -0.25 0.00 0.00 175.29 175.77 2otu h PRO 84 N 0.50 1.10 0.00 2.91 0.11 -1.94 -2.33 132.00 132.36 2otu h PRO 84 Ca -0.41 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2otu h PRO 84 Cb 1.28 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2otu h PRO 84 CO 0.48 0.73 0.00 -0.85 -0.21 0.00 0.00 178.00 178.15 2otu n GLU 85 N -4.42 0.06 0.00 1.05 0.00 -1.26 -2.29 120.64 113.78 2otu n GLU 85 Ca 0.10 0.20 0.14 0.00 0.00 0.00 0.00 57.16 57.60 2otu n GLU 85 Cb 0.05 -1.50 0.62 0.00 0.00 0.00 0.00 31.44 30.61 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 -1.44 0.50 -4.65 -1.84 8.00 -0.88 -4.77 116.55 111.48 2otu n ASP 86 Ca 0.05 -0.65 -0.42 0.00 0.71 0.00 0.00 54.79 54.47 2otu n ASP 86 Cb 0.17 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 2otu n ASP 86 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2otu s GLU 87 N -2.42 4.06 0.00 -1.24 2.12 -0.97 -4.87 118.70 115.37 2otu s GLU 87 Ca 0.30 2.15 -0.28 0.00 0.36 0.00 0.00 54.97 57.50 2otu s GLU 87 Cb 0.20 -4.04 0.10 0.00 0.26 0.00 0.00 34.13 30.65 2otu s GLU 87 CO 0.46 -1.00 1.26 0.00 -0.54 0.00 0.00 175.26 175.44 2otu s ALA 88 N 4.51 -2.38 -0.16 6.30 0.00 -0.84 -4.74 121.76 124.45 2otu s ALA 88 Ca 0.76 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 2otu s ALA 88 Cb -0.33 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.59 2otu s ALA 88 CO 0.31 -1.14 0.21 0.42 0.00 0.00 0.00 175.76 175.57 2otu s ILE 89 N -2.06 5.36 -0.19 0.00 1.01 -0.53 -0.20 121.20 124.59 2otu s ILE 89 Ca 0.28 0.37 -0.04 0.00 0.00 0.00 0.00 60.65 61.26 2otu s ILE 89 Cb -0.00 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 2otu s ILE 89 CO -0.00 0.45 -0.05 -0.31 0.00 0.00 0.00 174.94 175.03 2otu s TYR 90 N 0.16 2.96 -0.04 3.97 2.02 -0.11 -0.66 117.35 125.64 2otu s TYR 90 Ca 0.13 -0.68 0.06 0.00 -0.37 0.00 0.00 57.07 56.20 2otu s TYR 90 Cb -0.12 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.39 2otu s TYR 90 CO 0.02 -0.35 -0.21 0.42 -1.57 0.00 0.00 175.55 173.86 2otu s ILE 91 N 1.03 1.74 0.18 2.71 1.09 -0.33 -0.85 121.20 126.76 2otu s ILE 91 Ca 0.01 -0.90 0.04 0.00 -1.10 0.00 0.00 60.65 58.70 2otu s ILE 91 Cb -0.15 -1.47 -0.04 0.00 -1.06 0.00 0.00 42.46 39.75 2otu s ILE 91 CO 0.00 0.49 0.21 0.00 -0.10 0.00 0.00 174.94 175.54 2otu s GLY 93 N -3.30 0.12 -0.11 0.00 0.00 -0.08 -0.78 107.32 103.17 2otu s GLY 93 Ca 0.33 -0.60 -0.08 0.00 0.00 0.00 0.00 44.72 44.37 2otu s GLY 93 CO 0.26 -0.77 0.27 0.54 0.00 0.00 0.00 173.10 173.39 2otu s VAL 94 N -3.50 -0.02 0.30 1.40 0.11 -0.21 -0.87 120.40 117.61 2otu s VAL 94 Ca 0.02 0.07 0.09 0.00 -2.93 0.00 0.00 61.98 59.23 2otu s VAL 94 Cb 0.03 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 2otu s VAL 94 CO -0.09 0.03 0.06 -0.83 -3.33 0.00 0.00 175.10 170.94 2otu s GLY 95 N 0.69 1.76 -0.29 6.54 0.00 -1.26 -1.17 107.32 113.59 2otu s GLY 95 Ca -0.04 -1.72 0.03 0.00 0.00 0.00 0.00 44.72 42.99 2otu s GLY 95 CO -0.04 -1.72 0.48 -0.35 0.00 0.00 0.00 173.10 171.46 2otu s ASP 96 N -3.75 -0.38 -1.24 1.64 3.68 -0.02 -4.96 116.67 111.64 2otu s ASP 96 Ca 0.34 -0.14 -0.08 0.00 2.13 0.00 0.00 52.55 54.80 2otu s ASP 96 Cb -0.05 1.46 -0.07 0.00 -1.45 0.00 0.00 42.92 42.81 2otu s ASP 96 CO 0.21 -0.33 2.97 0.35 0.13 0.00 0.00 175.17 178.50 2otu n THR 97 N 5.38 4.22 -2.32 1.71 -2.24 -1.26 -1.64 114.28 118.13 2otu n THR 97 Ca 0.02 -2.73 -0.42 0.00 -2.27 0.00 0.00 64.05 58.65 2otu n THR 97 Cb 0.51 -2.36 -0.03 0.00 -2.10 0.00 0.00 70.33 66.35 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 1.14 3.71 0.25 2.28 1.01 -1.26 -4.93 121.20 123.39 2otu s ILE 98 Ca 0.66 1.24 -0.05 0.00 0.00 0.00 0.00 60.65 62.50 2otu s ILE 98 Cb 0.22 -3.80 0.23 0.00 0.01 0.00 0.00 42.46 39.12 2otu s ILE 98 CO -0.06 0.11 1.90 0.11 0.00 0.00 0.00 174.94 176.99 2otu h LYS 99 N 6.64 1.24 -0.63 2.79 1.57 -2.00 -2.15 116.57 124.03 2otu h LYS 99 Ca -0.42 -0.11 0.05 0.00 -1.87 0.00 0.00 60.65 58.30 2otu h LYS 99 Cb 1.21 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 33.23 2otu h LYS 99 CO 0.82 0.87 0.42 1.05 -0.57 0.00 0.00 179.45 182.04 2otu h GLU 100 N 1.26 0.65 -0.51 3.15 9.09 -2.00 -3.42 114.58 122.80 2otu h GLU 100 Ca 0.33 -0.04 0.22 0.00 0.05 0.00 0.00 59.36 59.92 2otu h GLU 100 Cb -0.05 -0.15 -0.23 0.00 -1.65 0.00 0.00 28.75 26.67 2otu h GLU 100 CO -0.06 0.43 0.25 -1.14 0.05 0.00 0.00 179.01 178.54 2otu s GLN 101 N -5.60 0.19 0.57 1.06 2.00 -0.83 -5.16 119.66 111.89 2otu s GLN 101 Ca -0.09 0.41 -0.20 0.00 -2.00 0.00 0.00 55.36 53.48 2otu s GLN 101 Cb 0.19 0.24 -0.04 0.00 0.80 0.00 0.00 33.01 34.20 2otu s GLN 101 CO 0.76 -0.13 1.22 -0.06 -0.50 0.00 0.00 175.29 176.59 2otu s PHE 102 N 2.59 2.43 -0.00 1.67 2.99 -1.06 -4.20 117.98 122.40 2otu s PHE 102 Ca -0.01 1.50 0.01 0.00 0.00 0.00 0.00 56.93 58.42 2otu s PHE 102 Cb -0.07 -3.52 0.00 0.00 0.00 0.00 0.00 43.02 39.44 2otu s PHE 102 CO -0.14 -2.23 -0.01 0.08 -0.00 0.00 0.00 175.22 172.92 2otu s VAL 103 N -1.54 0.14 -0.10 -0.44 1.01 -0.65 -4.96 120.40 113.86 2otu s VAL 103 Ca 0.75 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.63 2otu s VAL 103 Cb -0.32 -0.14 0.05 0.00 0.00 0.00 0.00 36.38 35.97 2otu s VAL 103 CO 0.35 0.05 0.22 -0.47 0.00 0.00 0.00 175.10 175.25 2otu s TYR 104 N 0.09 -0.30 -0.03 5.22 5.04 -1.26 -0.84 117.35 125.27 2otu s TYR 104 Ca -0.01 0.75 0.06 0.00 -2.44 0.00 0.00 57.07 55.44 2otu s TYR 104 Cb -0.02 -0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.22 2otu s TYR 104 CO -0.00 -0.26 -0.22 0.08 -1.34 0.00 0.00 175.55 173.81 2otu s VAL 105 N 1.72 1.77 0.09 3.14 1.01 -0.31 -4.98 120.40 122.84 2otu s VAL 105 Ca -0.04 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.05 2otu s VAL 105 Cb -0.11 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2otu s VAL 105 CO -0.08 0.50 -0.08 -0.36 0.00 0.00 0.00 175.10 175.08 2otu s PHE 106 N -0.40 2.79 0.95 5.22 0.40 -1.26 -1.04 117.98 124.63 2otu s PHE 106 Ca 0.05 -0.13 -0.15 0.00 -0.60 0.00 0.00 56.93 56.11 2otu s PHE 106 Cb -0.10 -1.47 0.17 0.00 0.51 0.00 0.00 43.02 42.13 2otu s PHE 106 CO 0.00 0.42 1.23 0.20 0.70 0.00 0.00 175.22 177.78 2otu s GLY 107 N -2.12 1.68 0.00 4.36 0.00 0.04 -4.72 107.32 106.56 2otu s GLY 107 Ca 0.21 -0.93 0.26 0.00 0.00 0.00 0.00 44.72 44.26 2otu s GLY 107 CO 0.14 -0.25 1.83 0.61 0.00 0.00 0.00 173.10 175.43 2otu n GLY 108 N -3.07 -1.33 0.00 0.20 0.00 -1.26 -4.76 105.19 94.97 2otu n GLY 108 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.09 0.02 2.81 -0.02 0.00 -1.26 -5.01 105.19 102.81 2otu n GLY 109 Ca 0.07 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.92 0.75 -0.29 2.61 2.01 -0.03 -4.82 115.64 112.95 2otu s THR 110 Ca 0.00 -0.47 -0.27 0.00 0.31 0.00 0.00 61.69 61.26 2otu s THR 110 Cb 0.00 -1.05 0.01 0.00 0.01 0.00 0.00 72.50 71.47 2otu s THR 110 CO 0.00 0.01 0.97 -0.75 -0.69 0.00 0.00 174.62 174.17 2otu s LYS 111 N 1.78 4.10 -0.26 4.92 2.20 -1.26 -0.94 119.74 130.29 2otu s LYS 111 Ca 0.01 1.02 -0.10 0.00 -0.36 0.00 0.00 55.97 56.54 2otu s LYS 111 Cb -0.15 -3.70 -0.05 0.00 -1.51 0.00 0.00 37.83 32.42 2otu s LYS 111 CO -0.07 -0.74 0.15 0.08 -0.36 0.00 0.00 175.35 174.41 2otu s VAL 112 N 3.29 5.10 -0.10 4.02 1.01 0.73 -1.67 120.40 132.78 2otu s VAL 112 Ca 0.41 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2otu s VAL 112 Cb -0.14 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 2otu s VAL 112 CO 0.11 0.31 -0.09 -0.89 0.00 0.00 0.00 175.10 174.54 2otu s THR 113 N 1.44 3.44 -1.63 3.92 2.01 -0.27 -1.99 115.64 122.57 2otu s THR 113 Ca 0.07 -0.55 0.13 0.00 0.31 0.00 0.00 61.69 61.64 2otu s THR 113 Cb -0.15 -2.42 0.10 0.00 0.01 0.00 0.00 72.50 70.04 2otu s THR 113 CO 0.07 0.56 0.91 0.52 -0.69 0.00 0.00 174.62 175.99