#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otu s ARG 3 N 0.00 1.01 -0.32 1.45 0.52 0.50 -4.94 118.95 117.18 1otu s ARG 3 Ca 0.00 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 1otu s ARG 3 Cb 0.00 -1.01 0.09 0.00 0.52 0.00 0.00 34.95 34.55 1otu s ARG 3 CO 0.00 0.26 0.04 -1.17 0.02 0.00 0.00 175.30 174.45 1otu s LEU 4 N -0.88 3.95 -0.26 2.53 2.96 -1.26 -0.84 118.68 124.88 1otu s LEU 4 Ca 0.03 -1.90 -0.02 0.00 -0.22 0.00 0.00 54.13 52.02 1otu s LEU 4 Cb -0.07 -1.43 0.03 0.00 0.50 0.00 0.00 46.19 45.22 1otu s LEU 4 CO 0.01 -0.36 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.41 1otu s LEU 5 N 1.11 3.34 -0.17 -0.68 1.98 -0.08 -4.11 118.68 120.08 1otu s LEU 5 Ca 0.07 -0.95 -0.03 0.00 -2.89 0.00 0.00 54.13 50.33 1otu s LEU 5 Cb -0.19 -1.68 -0.02 0.00 0.66 0.00 0.00 46.19 44.97 1otu s LEU 5 CO -0.11 -0.16 -0.06 -1.83 -1.89 0.00 0.00 176.35 172.31 1otu s GLU 6 N 1.31 3.54 0.00 1.98 1.03 -1.26 0.18 118.70 125.49 1otu s GLU 6 Ca -0.01 -0.58 0.00 0.00 0.03 0.00 0.00 54.97 54.41 1otu s GLU 6 Cb -0.17 -2.88 0.00 0.00 -0.80 0.00 0.00 34.13 30.28 1otu s GLU 6 CO -0.04 0.13 0.00 -1.13 -1.33 0.00 0.00 175.26 172.89 1otu n SER 7 N 3.84 0.63 0.00 0.83 3.41 0.33 -4.15 113.62 118.51 1otu n SER 7 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1otu n SER 7 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1otu n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1otu n GLY 8 N 5.00 2.21 2.67 5.00 0.00 -1.26 -2.16 105.19 116.64 1otu n GLY 8 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 1otu n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1otu n GLY 9 N 0.00 -1.47 0.00 -0.02 0.00 -1.26 -4.77 105.19 97.67 1otu n GLY 9 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1otu n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1otu n GLY 10 N -0.26 0.12 3.47 -0.02 0.00 0.17 -4.92 105.19 103.75 1otu n GLY 10 Ca 0.05 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 1otu n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1otu s LEU 11 N 0.00 3.21 -0.00 0.99 2.96 -1.26 0.26 118.68 124.84 1otu s LEU 11 Ca 0.00 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1otu s LEU 11 Cb 0.00 -1.78 -0.00 0.00 0.50 0.00 0.00 46.19 44.90 1otu s LEU 11 CO 0.00 0.13 0.03 0.68 -1.32 0.00 0.00 176.35 175.87 1otu s VAL 12 N 0.57 0.04 0.14 1.68 -7.23 -0.52 -4.99 120.40 110.10 1otu s VAL 12 Ca -0.02 -0.31 -0.19 0.00 -1.81 0.00 0.00 61.98 59.65 1otu s VAL 12 Cb -0.14 -0.15 -0.07 0.00 0.56 0.00 0.00 36.38 36.58 1otu s VAL 12 CO 0.02 -0.17 0.63 0.00 -0.31 0.00 0.00 175.10 175.27 1otu s GLN 13 N -0.50 4.19 0.25 4.82 -2.07 -1.24 -0.84 119.66 124.27 1otu s GLN 13 Ca -0.06 0.75 -0.22 0.00 -1.82 0.00 0.00 55.36 54.01 1otu s GLN 13 Cb -0.04 -3.05 -0.14 0.00 -1.09 0.00 0.00 33.01 28.69 1otu s GLN 13 CO -0.00 0.52 0.28 -2.30 -1.32 0.00 0.00 175.29 172.47 1otu n PRO 14 N 1.17 0.00 -0.98 9.60 -0.02 -1.25 -1.08 135.00 142.43 1otu n PRO 14 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1otu n PRO 14 Cb 0.51 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 1otu n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1otu n GLY 15 N 1.87 0.40 0.00 -1.23 0.00 -0.00 -4.90 105.19 101.33 1otu n GLY 15 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1otu n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1otu n GLY 16 N -1.88 0.19 3.19 -0.02 0.00 -0.24 -4.20 105.19 102.24 1otu n GLY 16 Ca 0.00 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 1otu n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1otu s SER 17 N -1.00 -0.37 -0.02 1.61 0.01 -1.26 -1.09 113.70 111.58 1otu s SER 17 Ca 0.00 0.69 -0.00 0.00 1.31 0.00 0.00 55.95 57.95 1otu s SER 17 Cb 0.00 0.62 0.02 0.00 0.21 0.00 0.00 66.02 66.88 1otu s SER 17 CO 0.00 -0.15 0.02 -1.48 0.41 0.00 0.00 173.24 172.04 1otu s LEU 18 N 0.89 1.26 -0.68 2.44 2.34 -1.06 -5.00 118.68 118.87 1otu s LEU 18 Ca -0.06 0.03 -0.19 0.00 0.06 0.00 0.00 54.13 53.98 1otu s LEU 18 Cb -0.07 -0.05 0.12 0.00 -0.56 0.00 0.00 46.19 45.63 1otu s LEU 18 CO -0.06 -0.10 0.79 -0.75 -1.06 0.00 0.00 176.35 175.17 1otu s LYS 19 N 0.86 3.20 0.26 1.48 2.20 -1.26 -3.06 119.74 123.41 1otu s LYS 19 Ca -0.07 -1.49 -0.29 0.00 -0.36 0.00 0.00 55.97 53.75 1otu s LYS 19 Cb -0.10 -4.38 -0.09 0.00 -1.51 0.00 0.00 37.83 31.74 1otu s LYS 19 CO -0.02 -1.57 1.14 -0.51 -0.36 0.00 0.00 175.35 174.03 1otu s LEU 20 N 2.48 4.52 0.14 5.43 1.43 0.11 -4.67 118.68 128.12 1otu s LEU 20 Ca 0.16 2.29 0.10 0.00 -1.03 0.00 0.00 54.13 55.66 1otu s LEU 20 Cb -0.19 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 1otu s LEU 20 CO 0.02 -0.23 -0.22 -0.44 0.23 0.00 0.00 176.35 175.72 1otu s SER 21 N -0.60 3.61 -0.20 2.29 0.01 -0.92 -2.11 113.70 115.78 1otu s SER 21 Ca 0.47 -0.70 -0.05 0.00 1.31 0.00 0.00 55.95 56.98 1otu s SER 21 Cb -0.33 -0.38 0.07 0.00 0.21 0.00 0.00 66.02 65.60 1otu s SER 21 CO 0.41 0.16 0.13 0.00 0.41 0.00 0.00 173.24 174.35 1otu s ALA 23 N 2.17 3.57 0.03 0.00 0.00 0.48 -1.20 121.76 126.81 1otu s ALA 23 Ca 0.04 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 1otu s ALA 23 Cb -0.16 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1otu s ALA 23 CO -0.14 -0.18 0.13 0.00 0.00 0.00 0.00 175.76 175.57 1otu s ALA 24 N 1.04 3.74 -0.16 0.00 0.00 -0.79 -0.90 121.76 124.70 1otu s ALA 24 Ca 0.16 -0.87 -0.28 0.00 0.00 0.00 0.00 51.96 50.97 1otu s ALA 24 Cb -0.14 -1.66 0.07 0.00 0.00 0.00 0.00 23.12 21.39 1otu s ALA 24 CO 0.06 0.74 0.70 -1.54 0.00 0.00 0.00 175.76 175.72 1otu s SER 25 N -2.08 -0.70 0.00 0.00 1.04 -0.02 -4.89 113.70 107.04 1otu s SER 25 Ca 0.28 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.79 1otu s SER 25 Cb -0.12 1.01 0.00 0.00 0.10 0.00 0.00 66.02 67.00 1otu s SER 25 CO 0.20 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1otu n GLY 26 N 1.82 0.96 3.66 7.32 0.00 -1.26 0.19 105.19 117.87 1otu n GLY 26 Ca -0.16 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.77 1otu n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1otu s PHE 27 N -2.00 -0.00 -0.32 1.61 -0.71 -1.26 -4.11 117.98 111.19 1otu s PHE 27 Ca 0.00 -0.00 -0.27 0.00 -1.04 0.00 0.00 56.93 55.62 1otu s PHE 27 Cb 0.00 0.50 0.01 0.00 -1.21 0.00 0.00 43.02 42.32 1otu s PHE 27 CO 0.00 -0.02 0.96 0.34 -1.34 0.00 0.00 175.22 175.16 1otu s ASP 28 N -3.21 6.82 0.21 1.98 2.15 -1.26 -4.93 116.67 118.44 1otu s ASP 28 Ca 0.19 0.88 -0.10 0.00 0.43 0.00 0.00 52.55 53.95 1otu s ASP 28 Cb 0.06 -2.49 0.18 0.00 -0.30 0.00 0.00 42.92 40.37 1otu s ASP 28 CO -0.06 -0.78 1.88 0.22 -0.17 0.00 0.00 175.17 176.26 1otu h TYR 29 N 8.12 0.96 -1.40 -5.34 3.20 -1.96 -3.42 116.97 117.14 1otu h TYR 29 Ca -0.22 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.63 1otu h TYR 29 Cb 1.07 -0.32 0.03 0.00 1.54 0.00 0.00 36.73 39.05 1otu h TYR 29 CO 0.81 0.59 -0.01 0.43 -1.64 0.00 0.00 178.16 178.34 1otu n SER 30 N -4.56 -1.89 0.00 -2.11 7.64 -1.26 -3.09 113.62 108.35 1otu n SER 30 Ca 0.08 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1otu n SER 30 Cb 0.03 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1otu n SER 30 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1otu n ARG 31 N -2.28 0.00 -4.87 1.43 5.12 -1.26 -4.85 116.66 109.95 1otu n ARG 31 Ca 0.02 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.61 1otu n ARG 31 Cb 0.07 -3.15 -0.15 0.00 -1.16 0.00 0.00 32.46 28.08 1otu n ARG 31 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1otu s TYR 32 N -0.72 2.75 -0.23 -1.55 1.51 -1.18 -4.98 117.35 112.94 1otu s TYR 32 Ca 0.00 -0.63 -0.22 0.00 -1.01 0.00 0.00 57.07 55.21 1otu s TYR 32 Cb 0.00 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 1otu s TYR 32 CO 0.00 -0.18 0.71 -1.58 -1.11 0.00 0.00 175.55 173.39 1otu s TRP 33 N 0.17 3.32 -0.04 2.71 0.52 -1.26 -3.88 118.94 120.48 1otu s TRP 33 Ca -0.08 0.97 -0.04 0.00 0.02 0.00 0.00 56.10 56.97 1otu s TRP 33 Cb -0.15 -2.91 -0.04 0.00 -1.15 0.00 0.00 33.47 29.22 1otu s TRP 33 CO 0.05 -0.31 0.16 -1.64 0.02 0.00 0.00 176.95 175.23 1otu s MET 34 N 2.45 3.40 0.28 4.98 -1.94 -1.08 -0.63 119.30 126.76 1otu s MET 34 Ca 0.30 -0.28 -0.02 0.00 -1.71 0.00 0.00 55.69 53.98 1otu s MET 34 Cb -0.16 -3.10 -0.02 0.00 2.01 0.00 0.00 34.83 33.57 1otu s MET 34 CO 0.09 0.70 0.34 -1.54 -0.01 0.00 0.00 175.02 174.60 1otu s SER 35 N -1.65 0.67 0.04 3.03 1.04 -0.91 -0.06 113.70 115.87 1otu s SER 35 Ca 0.23 -1.41 0.04 0.00 0.48 0.00 0.00 55.95 55.29 1otu s SER 35 Cb -0.12 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 1otu s SER 35 CO 0.14 -1.09 -0.13 0.26 0.98 0.00 0.00 173.24 173.39 1otu s TRP 36 N -3.62 1.14 -0.08 5.02 0.52 -0.84 -0.71 118.94 120.36 1otu s TRP 36 Ca 0.34 -0.36 -0.07 0.00 0.02 0.00 0.00 56.10 56.02 1otu s TRP 36 Cb 0.02 -0.67 0.02 0.00 -1.15 0.00 0.00 33.47 31.69 1otu s TRP 36 CO 0.17 0.02 0.22 0.08 0.02 0.00 0.00 176.95 177.46 1otu s VAL 37 N -0.89 -0.00 -0.02 4.03 1.01 0.51 -1.20 120.40 123.83 1otu s VAL 37 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1otu s VAL 37 Cb -0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 1otu s VAL 37 CO 0.01 0.01 -0.25 0.00 0.00 0.00 0.00 175.10 174.87 1otu s ARG 38 N 0.24 2.16 -0.26 2.72 1.70 -0.21 -0.41 118.95 124.88 1otu s ARG 38 Ca -0.01 -0.91 -0.02 0.00 -0.47 0.00 0.00 55.73 54.32 1otu s ARG 38 Cb -0.03 -2.07 0.03 0.00 -0.57 0.00 0.00 34.95 32.31 1otu s ARG 38 CO -0.01 0.56 -0.04 -1.14 -1.08 0.00 0.00 175.30 173.60 1otu s GLN 39 N -0.61 2.84 0.18 3.89 0.74 0.16 -1.87 119.66 124.99 1otu s GLN 39 Ca 0.10 -0.98 -0.30 0.00 0.05 0.00 0.00 55.36 54.22 1otu s GLN 39 Cb -0.10 -3.05 -0.08 0.00 1.10 0.00 0.00 33.01 30.88 1otu s GLN 39 CO -0.01 -0.42 1.18 0.00 -0.55 0.00 0.00 175.29 175.49 1otu s ALA 40 N 1.34 3.42 -0.32 1.58 0.00 -1.20 -0.12 121.76 126.46 1otu s ALA 40 Ca 0.00 0.92 -0.43 0.00 0.00 0.00 0.00 51.96 52.44 1otu s ALA 40 Cb -0.17 -3.40 -0.19 0.00 0.00 0.00 0.00 23.12 19.36 1otu s ALA 40 CO -0.03 -0.34 1.54 -2.30 0.00 0.00 0.00 175.76 174.63 1otu n PRO 41 N 2.55 0.39 0.00 0.00 -0.02 -1.26 -0.69 135.00 135.98 1otu n PRO 41 Ca 0.04 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1otu n PRO 41 Cb 0.45 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1otu n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1otu n GLY 42 N 3.58 1.72 0.24 -1.23 0.00 -1.26 -4.97 105.19 103.26 1otu n GLY 42 Ca 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1otu n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1otu n LYS 43 N 0.00 -0.64 0.00 1.61 4.76 0.14 -5.10 118.16 118.92 1otu n LYS 43 Ca 0.00 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1otu n LYS 43 Cb 0.00 -0.10 0.00 0.00 -1.84 0.00 0.00 35.03 33.09 1otu n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1otu n GLY 44 N 3.16 1.32 3.93 0.72 0.00 -1.26 -4.56 105.19 108.50 1otu n GLY 44 Ca 0.01 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 1otu n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1otu s LEU 45 N 0.00 4.30 -0.06 0.99 1.02 -1.26 -3.23 118.68 120.43 1otu s LEU 45 Ca 0.00 0.31 -0.02 0.00 0.02 0.00 0.00 54.13 54.43 1otu s LEU 45 Cb 0.00 -3.05 0.04 0.00 0.02 0.00 0.00 46.19 43.20 1otu s LEU 45 CO 0.00 0.04 0.12 -0.54 0.02 0.00 0.00 176.35 175.99 1otu s LYS 46 N -3.08 0.03 0.20 1.70 1.02 -0.78 -4.98 119.74 113.85 1otu s LYS 46 Ca 0.37 0.41 -0.30 0.00 0.02 0.00 0.00 55.97 56.47 1otu s LYS 46 Cb -0.11 -0.27 -0.08 0.00 -0.52 0.00 0.00 37.83 36.84 1otu s LYS 46 CO 0.28 -0.24 1.13 -0.46 -0.92 0.00 0.00 175.35 175.14 1otu s TRP 47 N 1.70 3.54 0.00 3.18 -0.00 -1.26 -1.05 118.94 125.05 1otu s TRP 47 Ca -0.03 1.57 0.00 0.00 -0.00 0.00 0.00 56.10 57.64 1otu s TRP 47 Cb -0.12 -3.33 0.00 0.00 -0.00 0.00 0.00 33.47 30.02 1otu s TRP 47 CO -0.05 -0.78 0.00 -0.89 -0.00 0.00 0.00 176.95 175.23 1otu n ILE 48 N 2.15 0.00 -3.67 5.86 2.08 -0.34 -4.46 119.36 120.98 1otu n ILE 48 Ca 0.02 0.34 -0.03 0.00 0.56 0.00 0.00 62.75 63.65 1otu n ILE 48 Cb 0.45 -1.30 -0.01 0.00 -0.75 0.00 0.00 39.64 38.04 1otu n ILE 48 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1otu n GLY 49 N 1.86 2.97 3.55 7.39 0.00 -1.21 -0.17 105.19 119.57 1otu n GLY 49 Ca 0.00 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 1otu n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1otu s GLU 50 N -2.15 0.80 -0.12 1.61 -1.05 -0.51 -1.99 118.70 115.28 1otu s GLU 50 Ca 0.06 0.81 -0.02 0.00 -0.15 0.00 0.00 54.97 55.66 1otu s GLU 50 Cb -0.00 0.39 0.04 0.00 -0.44 0.00 0.00 34.13 34.12 1otu s GLU 50 CO 0.04 -0.12 0.02 -1.50 0.95 0.00 0.00 175.26 174.64 1otu s ILE 51 N 0.12 0.40 1.20 1.83 2.07 0.91 -2.03 121.20 125.71 1otu s ILE 51 Ca -0.02 -0.12 -0.13 0.00 -1.41 0.00 0.00 60.65 58.97 1otu s ILE 51 Cb -0.04 -0.70 0.30 0.00 0.13 0.00 0.00 42.46 42.14 1otu s ILE 51 CO 0.02 0.08 0.97 -0.46 -1.91 0.00 0.00 174.94 173.63 1otu n ASN 52 N 5.12 -1.92 0.00 4.50 6.94 -1.03 -2.62 115.26 126.25 1otu n ASN 52 Ca -0.08 -0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.27 1otu n ASN 52 Cb 0.49 -1.23 0.00 0.00 -2.36 0.00 0.00 39.78 36.68 1otu n ASN 52 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 1otu n PRO 53 N -4.94 0.00 0.00 -0.53 -0.02 -1.25 -1.55 135.00 126.71 1otu n PRO 53 Ca 0.02 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1otu n PRO 53 Cb 0.54 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 1otu n PRO 53 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1otu n VAL 54 N -1.25 0.00 -2.84 -1.45 0.24 -1.26 -4.77 118.33 107.00 1otu n VAL 54 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1otu n VAL 54 Cb 0.00 -0.31 -0.01 0.00 -1.47 0.00 0.00 33.84 32.05 1otu n VAL 54 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1otu n SER 55 N -0.30 -2.86 -0.73 -1.34 3.41 -0.60 -4.77 113.62 106.43 1otu n SER 55 Ca 0.00 0.04 0.07 0.00 -0.26 0.00 0.00 58.87 58.72 1otu n SER 55 Cb 0.02 -2.45 0.19 0.00 -0.26 0.00 0.00 64.21 61.70 1otu n SER 55 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1otu n SER 56 N -1.89 2.13 -3.68 4.04 3.41 -1.26 -4.79 113.62 111.58 1otu n SER 56 Ca -0.05 -1.98 -0.12 0.00 -0.26 0.00 0.00 58.87 56.46 1otu n SER 56 Cb 0.55 -0.26 -0.09 0.00 -0.26 0.00 0.00 64.21 64.15 1otu n SER 56 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1otu s THR 57 N -1.48 -0.01 -0.24 6.66 2.01 -1.26 -5.06 115.64 116.26 1otu s THR 57 Ca 0.27 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.21 1otu s THR 57 Cb 0.14 -0.75 0.11 0.00 0.01 0.00 0.00 72.50 72.01 1otu s THR 57 CO 0.19 0.01 0.52 -0.63 -0.69 0.00 0.00 174.62 174.02 1otu s ILE 58 N 0.70 -0.80 0.13 1.82 1.01 -1.26 -2.47 121.20 120.33 1otu s ILE 58 Ca -0.03 0.09 0.08 0.00 0.00 0.00 0.00 60.65 60.79 1otu s ILE 58 Cb -0.05 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1otu s ILE 58 CO -0.05 0.04 -0.18 0.20 0.00 0.00 0.00 174.94 174.95 1otu s ASN 59 N 2.73 2.46 0.24 3.58 0.01 -0.86 -4.97 114.94 118.13 1otu s ASN 59 Ca -0.04 -0.78 0.03 0.00 -0.71 0.00 0.00 52.86 51.36 1otu s ASN 59 Cb -0.12 -0.13 -0.05 0.00 0.41 0.00 0.00 41.25 41.36 1otu s ASN 59 CO -0.16 -0.03 0.01 -0.31 -1.51 0.00 0.00 177.10 175.11 1otu s TYR 60 N -1.73 1.57 0.94 2.20 1.51 -1.26 -1.43 117.35 119.15 1otu s TYR 60 Ca 0.11 -0.95 -0.13 0.00 -1.01 0.00 0.00 57.07 55.08 1otu s TYR 60 Cb -0.07 -0.92 0.16 0.00 -0.11 0.00 0.00 41.96 41.02 1otu s TYR 60 CO 0.05 -0.07 1.15 -0.08 -1.11 0.00 0.00 175.55 175.49 1otu s THR 61 N -3.45 1.97 -0.77 -0.71 -1.32 0.76 -4.82 115.64 107.30 1otu s THR 61 Ca 0.30 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.53 1otu s THR 61 Cb 0.06 -2.74 -0.15 0.00 -1.51 0.00 0.00 72.50 68.17 1otu s THR 61 CO 0.09 0.00 2.40 -2.65 -2.21 0.00 0.00 174.62 172.26 1otu n PRO 62 N -3.87 0.57 -4.13 7.08 -0.02 -1.26 -4.81 135.00 128.56 1otu n PRO 62 Ca 0.08 -0.66 -0.15 0.00 -2.02 0.00 0.00 63.50 60.75 1otu n PRO 62 Cb 0.59 -3.42 -0.11 0.00 -0.02 0.00 0.00 33.50 30.54 1otu n PRO 62 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1otu s SER 63 N 10.21 1.32 0.01 2.55 0.01 -1.26 -5.17 113.70 121.37 1otu s SER 63 Ca 0.98 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.58 1otu s SER 63 Cb -0.21 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1otu s SER 63 CO 0.15 -0.18 0.00 0.18 0.41 0.00 0.00 173.24 173.80 1otu n LEU 64 N 1.11 0.00 0.00 2.44 4.77 -1.26 -4.96 117.00 119.10 1otu n LEU 64 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1otu n LEU 64 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1otu n LEU 64 CO 0.23 -0.16 0.06 0.29 -1.33 0.00 0.00 177.39 176.48 1otu n LYS 65 N -0.02 0.00 -1.15 3.23 4.76 -1.26 -3.95 118.16 119.77 1otu n LYS 65 Ca 0.00 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1otu n LYS 65 Cb 0.00 -0.45 0.13 0.00 -1.84 0.00 0.00 35.03 32.87 1otu n LYS 65 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1otu n ASP 66 N -0.31 2.06 -0.32 4.39 10.43 -1.26 -4.74 116.55 126.80 1otu n ASP 66 Ca 0.00 -3.36 0.16 0.00 2.57 0.00 0.00 54.79 54.15 1otu n ASP 66 Cb 0.00 -0.45 0.35 0.00 1.84 0.00 0.00 41.12 42.86 1otu n ASP 66 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 1otu h LYS 67 N 1.28 0.42 -6.78 -1.24 1.63 -1.86 -3.40 116.57 106.63 1otu h LYS 67 Ca 0.00 -0.03 -0.68 0.00 -0.85 0.00 0.00 60.65 59.09 1otu h LYS 67 Cb 1.29 -0.10 -0.20 0.00 -0.60 0.00 0.00 32.23 32.63 1otu h LYS 67 CO 0.15 0.28 -0.83 -0.06 -3.45 0.00 0.00 179.45 175.55 1otu s PHE 68 N -5.83 2.45 -0.39 1.91 0.40 -1.26 -1.65 117.98 113.61 1otu s PHE 68 Ca -0.11 -0.31 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 1otu s PHE 68 Cb 0.26 -1.32 0.16 0.00 0.51 0.00 0.00 43.02 42.63 1otu s PHE 68 CO 0.78 0.36 0.38 0.42 0.70 0.00 0.00 175.22 177.86 1otu s ILE 69 N -1.10 -0.15 0.22 0.64 1.01 -0.27 -4.96 121.20 116.60 1otu s ILE 69 Ca 0.16 -1.54 -0.27 0.00 0.00 0.00 0.00 60.65 59.00 1otu s ILE 69 Cb -0.10 -0.82 -0.09 0.00 0.01 0.00 0.00 42.46 41.46 1otu s ILE 69 CO 0.08 -0.76 0.87 -0.63 0.00 0.00 0.00 174.94 174.50 1otu s ILE 70 N 0.95 4.22 0.29 2.92 1.01 -1.26 -2.55 121.20 126.78 1otu s ILE 70 Ca 0.23 1.88 -0.15 0.00 0.00 0.00 0.00 60.65 62.61 1otu s ILE 70 Cb -0.10 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.18 1otu s ILE 70 CO -0.06 0.45 0.61 -0.94 0.00 0.00 0.00 174.94 175.00 1otu s SER 71 N -1.24 -0.01 -0.11 3.58 1.04 -1.13 -5.00 113.70 110.83 1otu s SER 71 Ca 0.40 -0.93 -0.20 0.00 0.48 0.00 0.00 55.95 55.69 1otu s SER 71 Cb -0.24 0.69 0.05 0.00 0.10 0.00 0.00 66.02 66.62 1otu s SER 71 CO 0.28 -1.32 0.51 0.00 0.98 0.00 0.00 173.24 173.69 1otu s ARG 72 N -3.57 0.74 -0.51 4.02 1.70 -1.26 0.26 118.95 120.32 1otu s ARG 72 Ca 0.19 0.38 0.01 0.00 -0.47 0.00 0.00 55.73 55.83 1otu s ARG 72 Cb -0.03 0.35 0.13 0.00 -0.57 0.00 0.00 34.95 34.83 1otu s ARG 72 CO 0.10 -0.16 0.28 0.34 -1.08 0.00 0.00 175.30 174.78 1otu s ASP 73 N -0.49 4.85 0.32 -2.89 2.15 -0.63 -4.94 116.67 115.03 1otu s ASP 73 Ca -0.06 -2.68 0.22 0.00 0.43 0.00 0.00 52.55 50.46 1otu s ASP 73 Cb -0.03 -1.74 1.17 0.00 -0.30 0.00 0.00 42.92 42.02 1otu s ASP 73 CO 0.04 -0.35 1.68 0.59 -0.17 0.00 0.00 175.17 176.96 1otu n ASN 74 N 3.64 0.58 0.21 -0.34 3.02 -1.26 -0.31 115.26 120.80 1otu n ASN 74 Ca 0.05 0.76 0.14 0.00 -0.03 0.00 0.00 54.58 55.50 1otu n ASN 74 Cb 0.37 -0.84 0.47 0.00 -0.61 0.00 0.00 39.78 39.18 1otu n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1otu h ALA 75 N 2.03 1.00 0.00 5.41 0.00 -1.95 -2.95 119.26 122.80 1otu h ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1otu h ALA 75 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1otu h ALA 75 CO 0.00 0.00 -0.04 1.63 0.00 0.00 0.00 179.25 180.84 1otu n LYS 76 N -2.81 1.85 -4.29 0.00 5.02 0.57 -4.98 118.16 113.51 1otu n LYS 76 Ca 0.02 -1.50 -0.38 0.00 -2.02 0.00 0.00 58.31 54.44 1otu n LYS 76 Cb 0.37 -0.97 -0.04 0.00 -0.02 0.00 0.00 35.03 34.36 1otu n LYS 76 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1otu n ASP 77 N -0.56 -2.87 -4.24 4.39 9.92 -0.49 -4.74 116.55 117.95 1otu n ASP 77 Ca 0.03 -1.05 -0.29 0.00 -0.53 0.00 0.00 54.79 52.95 1otu n ASP 77 Cb 0.41 -2.39 -0.16 0.00 -0.64 0.00 0.00 41.12 38.35 1otu n ASP 77 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1otu s THR 78 N -3.24 1.79 -0.15 -3.53 2.01 -1.07 -1.88 115.64 109.57 1otu s THR 78 Ca 0.76 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 1otu s THR 78 Cb -0.43 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1otu s THR 78 CO 0.94 0.50 0.10 -0.22 -0.69 0.00 0.00 174.62 175.26 1otu s LEU 79 N -0.39 4.11 0.36 4.42 2.96 -0.34 -1.61 118.68 128.19 1otu s LEU 79 Ca 0.05 0.28 0.09 0.00 -0.22 0.00 0.00 54.13 54.33 1otu s LEU 79 Cb -0.10 -2.02 -0.06 0.00 0.50 0.00 0.00 46.19 44.51 1otu s LEU 79 CO 0.00 0.30 -0.02 -0.31 -1.32 0.00 0.00 176.35 175.00 1otu s TYR 80 N -0.35 2.49 -0.24 5.38 1.51 0.14 -1.45 117.35 124.84 1otu s TYR 80 Ca 0.10 -0.50 -0.09 0.00 -1.01 0.00 0.00 57.07 55.57 1otu s TYR 80 Cb -0.12 -1.52 0.10 0.00 -0.11 0.00 0.00 41.96 40.31 1otu s TYR 80 CO 0.01 0.49 0.53 -1.17 -1.11 0.00 0.00 175.55 174.31 1otu s LEU 81 N -3.69 -0.81 -0.18 -1.29 2.96 -0.90 -2.84 118.68 111.93 1otu s LEU 81 Ca 0.34 1.25 -0.02 0.00 -0.22 0.00 0.00 54.13 55.49 1otu s LEU 81 Cb 0.03 1.81 -0.01 0.00 0.50 0.00 0.00 46.19 48.52 1otu s LEU 81 CO 0.18 -0.22 -0.09 -1.10 -1.32 0.00 0.00 176.35 173.80 1otu s GLN 82 N 2.50 3.35 -0.11 1.98 -0.21 -1.06 -0.71 119.66 125.40 1otu s GLN 82 Ca -0.05 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 54.67 1otu s GLN 82 Cb -0.11 -2.83 -0.02 0.00 1.00 0.00 0.00 33.01 31.05 1otu s GLN 82 CO -0.16 -0.05 -0.11 0.42 -2.12 0.00 0.00 175.29 173.27 1otu s ILE 83 N 1.05 3.24 0.24 1.08 1.01 -1.17 -1.11 121.20 125.55 1otu s ILE 83 Ca 0.00 -0.61 0.12 0.00 0.00 0.00 0.00 60.65 60.16 1otu s ILE 83 Cb -0.15 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 1otu s ILE 83 CO -0.01 0.54 -0.21 -0.94 0.00 0.00 0.00 174.94 174.31 1otu s SER 84 N 0.06 3.50 -1.26 3.58 1.04 -0.66 -2.57 113.70 117.39 1otu s SER 84 Ca -0.04 -0.96 -0.19 0.00 0.48 0.00 0.00 55.95 55.24 1otu s SER 84 Cb -0.14 -0.28 0.01 0.00 0.10 0.00 0.00 66.02 65.71 1otu s SER 84 CO 0.04 0.07 0.60 0.29 0.98 0.00 0.00 173.24 175.22 1otu n LYS 85 N -0.26 -1.36 -2.08 4.02 5.02 -0.25 -4.77 118.16 118.49 1otu n LYS 85 Ca -0.08 0.29 -0.34 0.00 -2.02 0.00 0.00 58.31 56.16 1otu n LYS 85 Cb 0.58 -3.68 0.02 0.00 -0.02 0.00 0.00 35.03 31.93 1otu n LYS 85 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1otu s VAL 86 N -3.68 3.32 0.10 -0.18 -7.23 -1.08 -4.63 120.40 107.02 1otu s VAL 86 Ca 0.33 0.72 -0.03 0.00 -1.81 0.00 0.00 61.98 61.19 1otu s VAL 86 Cb -0.15 -3.25 -0.03 0.00 0.56 0.00 0.00 36.38 33.52 1otu s VAL 86 CO 0.91 -0.28 0.07 0.00 -0.31 0.00 0.00 175.10 175.50 1otu s ARG 87 N -3.67 0.83 0.49 4.82 1.70 -1.26 -0.82 118.95 121.04 1otu s ARG 87 Ca 0.69 -1.27 0.39 0.00 -0.47 0.00 0.00 55.73 55.07 1otu s ARG 87 Cb -0.21 0.26 1.58 0.00 -0.57 0.00 0.00 34.95 36.01 1otu s ARG 87 CO 0.33 -0.23 1.59 0.66 -1.08 0.00 0.00 175.30 176.57 1otu h SER 88 N 2.92 0.13 0.23 -2.89 4.64 -1.98 0.99 113.55 117.59 1otu h SER 88 Ca -0.34 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1otu h SER 88 Cb 1.18 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1otu h SER 88 CO 0.60 -0.14 0.00 -0.33 -0.87 0.00 0.00 176.83 176.08 1otu h GLU 89 N 0.02 0.00 -0.04 4.77 3.07 -1.96 -0.98 114.58 119.46 1otu h GLU 89 Ca 0.88 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.74 1otu h GLU 89 Cb 3.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 31.03 1otu h GLU 89 CO -0.28 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.08 1otu n ASP 90 N -2.54 1.57 -4.58 1.42 9.92 0.34 -4.81 116.55 117.86 1otu n ASP 90 Ca -0.01 -1.55 -0.43 0.00 -0.53 0.00 0.00 54.79 52.27 1otu n ASP 90 Cb 0.10 -0.02 -0.03 0.00 -0.64 0.00 0.00 41.12 40.54 1otu n ASP 90 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1otu s THR 91 N -1.96 4.34 0.08 -3.53 2.01 -0.37 -4.83 115.64 111.37 1otu s THR 91 Ca 0.37 0.98 -0.26 0.00 0.31 0.00 0.00 61.69 63.09 1otu s THR 91 Cb 0.20 -4.52 0.09 0.00 0.01 0.00 0.00 72.50 68.28 1otu s THR 91 CO 0.32 -0.93 1.17 0.00 -0.69 0.00 0.00 174.62 174.49 1otu s ALA 92 N 4.11 -2.04 -0.19 7.40 0.00 -1.02 -4.36 121.76 125.66 1otu s ALA 92 Ca 0.42 -0.08 -0.23 0.00 0.00 0.00 0.00 51.96 52.08 1otu s ALA 92 Cb -0.09 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1otu s ALA 92 CO 0.29 -1.10 0.71 -1.17 0.00 0.00 0.00 175.76 174.49 1otu s LEU 93 N -3.55 4.15 -0.32 0.00 2.96 0.84 -1.70 118.68 121.06 1otu s LEU 93 Ca 0.24 0.96 -0.09 0.00 -0.22 0.00 0.00 54.13 55.03 1otu s LEU 93 Cb -0.01 -3.02 0.01 0.00 0.50 0.00 0.00 46.19 43.66 1otu s LEU 93 CO 0.02 -0.33 0.14 -0.31 -1.32 0.00 0.00 176.35 174.56 1otu s TYR 94 N 2.02 3.19 -0.01 5.38 4.12 0.11 0.37 117.35 132.54 1otu s TYR 94 Ca 0.32 -0.80 -0.00 0.00 0.02 0.00 0.00 57.07 56.61 1otu s TYR 94 Cb -0.16 -2.34 -0.04 0.00 -1.52 0.00 0.00 41.96 37.90 1otu s TYR 94 CO 0.11 -0.54 0.07 0.71 0.02 0.00 0.00 175.55 175.92 1otu s TYR 95 N 1.56 3.25 -0.18 2.71 2.02 0.45 -2.29 117.35 124.87 1otu s TYR 95 Ca 0.03 0.19 -0.02 0.00 -0.37 0.00 0.00 57.07 56.90 1otu s TYR 95 Cb -0.18 -1.73 -0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1otu s TYR 95 CO 0.05 0.54 -0.10 0.00 -1.57 0.00 0.00 175.55 174.47 1otu s ALA 97 N 0.98 3.81 -0.12 0.00 0.00 0.11 -3.78 121.76 122.77 1otu s ALA 97 Ca -0.01 -1.85 -0.02 0.00 0.00 0.00 0.00 51.96 50.08 1otu s ALA 97 Cb -0.15 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 1otu s ALA 97 CO -0.01 -0.10 -0.03 0.50 0.00 0.00 0.00 175.76 176.12 1otu s ARG 98 N -4.00 3.29 -0.15 0.00 3.52 -0.91 -2.13 118.95 118.57 1otu s ARG 98 Ca 0.43 -0.49 -0.05 0.00 -0.13 0.00 0.00 55.73 55.48 1otu s ARG 98 Cb -0.03 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.51 1otu s ARG 98 CO 0.26 0.46 0.03 -0.51 -0.81 0.00 0.00 175.30 174.72 1otu s LEU 99 N -0.23 3.66 0.00 -0.88 1.43 0.20 -0.69 118.68 122.17 1otu s LEU 99 Ca 0.04 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1otu s LEU 99 Cb -0.13 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1otu s LEU 99 CO 0.02 0.23 0.00 0.00 0.23 0.00 0.00 176.35 176.83 1otu n TYR 100 N 3.14 -0.15 -3.75 0.29 9.36 -1.07 -4.10 117.16 120.88 1otu n TYR 100 Ca -0.17 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 60.96 1otu n TYR 100 Cb 0.53 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.21 1otu n TYR 100 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 1otu s TYR 101 N -2.96 -0.23 0.00 2.98 -0.85 -1.26 0.03 117.35 115.06 1otu s TYR 101 Ca 0.00 -0.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.40 1otu s TYR 101 Cb 0.00 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.94 1otu s TYR 101 CO 0.00 -1.09 0.00 0.41 -1.52 0.00 0.00 175.55 173.35 1otu n GLY 102 N -0.42 0.14 0.25 5.49 0.00 -1.26 -4.78 105.19 104.60 1otu n GLY 102 Ca -0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.08 1otu n GLY 102 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1otu h TYR 103 N 0.00 0.00 0.00 1.61 0.05 -2.02 -3.46 116.97 113.15 1otu h TYR 103 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1otu h TYR 103 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1otu h TYR 103 CO 0.00 0.09 0.00 0.41 -1.05 0.00 0.00 178.16 177.61 1otu n GLY 104 N 0.22 0.31 3.14 3.88 0.00 -1.26 -5.05 105.19 106.43 1otu n GLY 104 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1otu n GLY 104 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1otu n TYR 105 N 0.00 3.75 -0.16 1.61 4.02 -1.26 -5.00 117.16 120.12 1otu n TYR 105 Ca 0.00 -3.08 -0.05 0.00 -0.01 0.00 0.00 57.90 54.75 1otu n TYR 105 Cb 0.00 -1.85 -0.00 0.00 -0.02 0.00 0.00 39.34 37.47 1otu n TYR 105 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1otu n TRP 106 N 3.73 -0.21 -4.24 -0.72 7.02 -1.26 -4.74 117.44 117.03 1otu n TRP 106 Ca 0.34 0.09 -0.13 0.00 -1.02 0.00 0.00 57.50 56.77 1otu n TRP 106 Cb 0.38 -0.23 -0.10 0.00 -2.42 0.00 0.00 31.31 28.94 1otu n TRP 106 CO 0.00 0.00 0.00 1.52 -2.02 0.00 0.00 177.69 177.19 1otu s TYR 107 N -0.19 1.20 -0.79 -5.99 -0.85 0.10 -4.95 117.35 105.88 1otu s TYR 107 Ca 0.07 -1.01 -0.21 0.00 -0.52 0.00 0.00 57.07 55.41 1otu s TYR 107 Cb -0.09 -0.68 0.09 0.00 0.38 0.00 0.00 41.96 41.66 1otu s TYR 107 CO 0.08 -0.20 1.06 -0.06 -1.52 0.00 0.00 175.55 174.91 1otu s PHE 108 N -3.65 2.82 0.00 -3.49 0.40 -1.26 -2.61 117.98 110.19 1otu s PHE 108 Ca 0.23 -0.87 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 1otu s PHE 108 Cb 0.06 -4.32 0.00 0.00 0.51 0.00 0.00 43.02 39.26 1otu s PHE 108 CO 0.03 -1.62 0.64 -3.47 0.70 0.00 0.00 175.22 171.51 1otu n ASP 109 N 7.40 0.00 -4.09 1.36 2.03 0.13 -4.76 116.55 118.62 1otu n ASP 109 Ca 0.09 0.64 -0.32 0.00 0.52 0.00 0.00 54.79 55.72 1otu n ASP 109 Cb 0.47 -0.14 -0.15 0.00 -0.72 0.00 0.00 41.12 40.57 1otu n ASP 109 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1otu s VAL 110 N -1.58 2.11 0.40 5.18 1.01 -1.19 -4.94 120.40 121.40 1otu s VAL 110 Ca 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 61.98 60.62 1otu s VAL 110 Cb 0.00 -2.08 0.09 0.00 0.00 0.00 0.00 36.38 34.39 1otu s VAL 110 CO 0.00 0.23 0.55 0.79 0.00 0.00 0.00 175.10 176.67 1otu n TRP 111 N 4.52 -3.67 -4.11 5.22 7.02 -1.26 -2.14 117.44 123.01 1otu n TRP 111 Ca -0.17 -0.64 -0.09 0.00 -1.02 0.00 0.00 57.50 55.58 1otu n TRP 111 Cb 0.46 -0.42 -0.10 0.00 -2.42 0.00 0.00 31.31 28.83 1otu n TRP 111 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1otu s GLY 112 N -4.05 0.76 0.26 6.99 0.00 -1.25 -4.56 107.32 105.47 1otu s GLY 112 Ca 0.33 -1.33 -0.02 0.00 0.00 0.00 0.00 44.72 43.70 1otu s GLY 112 CO 0.23 -1.31 1.71 0.00 0.00 0.00 0.00 173.10 173.72 1otu h ALA 113 N 2.95 1.14 0.00 3.20 0.00 -1.95 -3.45 119.26 121.16 1otu h ALA 113 Ca -0.35 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1otu h ALA 113 Cb 1.18 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1otu h ALA 113 CO 0.61 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1otu n GLY 114 N -1.34 -1.75 3.87 0.00 0.00 -1.26 -4.94 105.19 99.77 1otu n GLY 114 Ca 0.17 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 1otu n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1otu s THR 115 N -2.05 5.14 0.05 2.61 -4.23 -0.97 -4.79 115.64 111.41 1otu s THR 115 Ca 0.00 0.34 -0.10 0.00 -1.18 0.00 0.00 61.69 60.76 1otu s THR 115 Cb 0.00 -3.63 -0.06 0.00 1.34 0.00 0.00 72.50 70.16 1otu s THR 115 CO 0.00 0.27 0.37 -0.89 -0.54 0.00 0.00 174.62 173.83 1otu s THR 116 N -1.41 5.13 -0.23 3.99 2.01 -1.26 0.06 115.64 123.93 1otu s THR 116 Ca 0.33 0.46 -0.02 0.00 0.31 0.00 0.00 61.69 62.77 1otu s THR 116 Cb -0.14 -3.63 0.07 0.00 0.01 0.00 0.00 72.50 68.81 1otu s THR 116 CO 0.18 0.36 0.05 -0.69 -0.69 0.00 0.00 174.62 173.83 1otu s VAL 117 N -1.32 0.69 -0.09 3.82 1.01 -0.69 0.44 120.40 124.27 1otu s VAL 117 Ca 0.30 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1otu s VAL 117 Cb -0.14 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1otu s VAL 117 CO 0.16 -0.34 0.23 -0.89 0.00 0.00 0.00 175.10 174.27 1otu s THR 118 N 1.76 5.34 -0.30 3.92 2.01 0.14 -2.42 115.64 126.09 1otu s THR 118 Ca 0.02 0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.47 1otu s THR 118 Cb -0.17 -3.52 0.08 0.00 0.01 0.00 0.00 72.50 68.91 1otu s THR 118 CO -0.13 0.58 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.69 1otu s VAL 119 N -0.88 2.04 0.24 3.82 1.01 -1.25 -1.44 120.40 123.94 1otu s VAL 119 Ca 0.18 -1.94 -0.05 0.00 0.00 0.00 0.00 61.98 60.16 1otu s VAL 119 Cb -0.13 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1otu s VAL 119 CO 0.07 -0.39 0.32 -0.55 0.00 0.00 0.00 175.10 174.54 1otu s SER 120 N 1.08 0.23 -0.22 3.32 0.15 -0.02 -4.52 113.70 113.71 1otu s SER 120 Ca 0.03 -1.24 -0.20 0.00 0.70 0.00 0.00 55.95 55.25 1otu s SER 120 Cb -0.19 0.50 -0.17 0.00 -1.71 0.00 0.00 66.02 64.45 1otu s SER 120 CO -0.09 -1.03 0.09 -1.20 1.20 0.00 0.00 173.24 172.22 1otu n SER 121 N -0.52 1.88 -2.06 5.45 7.64 -1.26 -3.63 113.62 121.12 1otu n SER 121 Ca 0.01 0.41 -0.19 0.00 1.01 0.00 0.00 58.87 60.11 1otu n SER 121 Cb 0.64 -0.93 0.01 0.00 -1.01 0.00 0.00 64.21 62.91 1otu n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1otu n ALA 122 N -3.59 -2.89 -2.84 -0.43 0.00 -1.26 -4.92 120.51 104.57 1otu n ALA 122 Ca -0.35 -0.14 -0.37 0.00 0.00 0.00 0.00 53.44 52.58 1otu n ALA 122 Cb 0.71 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 1otu n ALA 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1otu s LYS 123 N -0.67 3.41 1.07 0.00 -0.14 -1.26 -5.06 119.74 117.08 1otu s LYS 123 Ca 0.25 -0.18 -0.17 0.00 -1.36 0.00 0.00 55.97 54.50 1otu s LYS 123 Cb -0.19 -3.14 0.11 0.00 -1.68 0.00 0.00 37.83 32.94 1otu s LYS 123 CO 0.36 0.74 0.02 2.41 -0.76 0.00 0.00 175.35 178.12 1otu n THR 124 N 2.10 0.00 -3.19 2.17 -1.04 -1.26 -4.76 114.28 108.31 1otu n THR 124 Ca -0.20 -0.16 0.04 0.00 -2.04 0.00 0.00 64.05 61.69 1otu n THR 124 Cb 0.55 -0.51 -0.04 0.00 -1.82 0.00 0.00 70.33 68.50 1otu n THR 124 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1otu s THR 125 N -2.14 -0.07 1.08 12.58 2.01 0.35 -4.81 115.64 124.64 1otu s THR 125 Ca 0.46 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.34 1otu s THR 125 Cb -0.07 -1.00 0.24 0.00 0.01 0.00 0.00 72.50 71.67 1otu s THR 125 CO 0.52 0.00 1.07 -2.16 -0.69 0.00 0.00 174.62 173.36 1otu s PRO 126 N 2.07 -0.26 0.16 4.92 0.04 -1.26 -1.55 135.00 139.12 1otu s PRO 126 Ca 0.00 1.14 0.05 0.00 0.04 0.00 0.00 61.00 62.23 1otu s PRO 126 Cb -0.01 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.88 1otu s PRO 126 CO -0.16 -3.37 0.13 -1.25 0.04 0.00 0.00 177.00 172.39 1otu s PRO 127 N -4.51 2.88 -0.17 0.56 0.04 -1.26 -4.17 135.00 128.37 1otu s PRO 127 Ca 0.68 -0.87 -0.06 0.00 0.04 0.00 0.00 61.00 60.79 1otu s PRO 127 Cb -0.24 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.62 1otu s PRO 127 CO 0.62 0.49 0.04 -1.12 0.04 0.00 0.00 177.00 177.08 1otu s SER 128 N -3.04 5.49 -0.23 6.66 0.01 -0.02 -4.94 113.70 117.62 1otu s SER 128 Ca 0.31 0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.58 1otu s SER 128 Cb -0.10 -1.91 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 1otu s SER 128 CO 0.23 0.20 0.00 -0.69 0.41 0.00 0.00 173.24 173.39 1otu s VAL 129 N 0.23 3.74 -0.11 3.43 1.01 -1.26 -1.77 120.40 125.67 1otu s VAL 129 Ca 0.03 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1otu s VAL 129 Cb -0.13 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1otu s VAL 129 CO 0.01 0.38 -0.22 -0.31 0.00 0.00 0.00 175.10 174.96 1otu s TYR 130 N 1.53 2.62 0.06 5.22 2.02 0.07 -4.95 117.35 123.91 1otu s TYR 130 Ca 0.06 -1.08 -0.31 0.00 -0.37 0.00 0.00 57.07 55.37 1otu s TYR 130 Cb -0.15 -1.76 -0.07 0.00 -0.40 0.00 0.00 41.96 39.59 1otu s TYR 130 CO -0.01 -0.45 1.43 -1.25 -1.57 0.00 0.00 175.55 173.70 1otu s PRO 131 N 0.48 4.29 -1.06 -1.71 0.04 -1.26 0.06 135.00 135.83 1otu s PRO 131 Ca -0.15 2.06 -0.07 0.00 0.04 0.00 0.00 61.00 62.88 1otu s PRO 131 Cb -0.17 -3.43 0.27 0.00 0.04 0.00 0.00 34.50 31.20 1otu s PRO 131 CO 0.06 -0.53 1.04 -0.51 0.04 0.00 0.00 177.00 177.09 1otu s LEU 132 N 1.85 6.17 0.30 -3.56 1.43 0.16 -4.90 118.68 120.13 1otu s LEU 132 Ca 0.65 -3.63 -0.08 0.00 -1.03 0.00 0.00 54.13 50.05 1otu s LEU 132 Cb -0.35 -2.14 -0.06 0.00 0.03 0.00 0.00 46.19 43.67 1otu s LEU 132 CO 0.29 -0.26 0.61 0.00 0.23 0.00 0.00 176.35 177.22 1otu s ALA 133 N -1.29 3.53 0.63 4.21 0.00 -1.26 -3.36 121.76 124.22 1otu s ALA 133 Ca 0.30 -0.38 -0.18 0.00 0.00 0.00 0.00 51.96 51.70 1otu s ALA 133 Cb -0.09 -2.45 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 1otu s ALA 133 CO -0.09 0.25 1.24 -2.14 0.00 0.00 0.00 175.76 175.02 1otu s PRO 134 N -3.42 2.72 1.37 0.00 0.02 -1.26 -4.87 135.00 129.55 1otu s PRO 134 Ca 0.47 1.89 -0.22 0.00 0.02 0.00 0.00 61.00 63.16 1otu s PRO 134 Cb -0.11 -1.89 0.35 0.00 0.02 0.00 0.00 34.50 32.87 1otu s PRO 134 CO 0.28 -1.42 0.79 0.41 -0.33 0.00 0.00 177.00 176.72 1otu n GLY 135 N 0.61 -3.75 0.17 0.52 0.00 -1.26 -4.16 105.19 97.32 1otu n GLY 135 Ca 0.14 -1.21 0.03 0.00 0.00 0.00 0.00 46.02 44.98 1otu n GLY 135 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1otu h SER 136 N -3.51 0.00 -0.54 1.61 0.02 -1.94 -2.80 113.55 106.39 1otu h SER 136 Ca -0.36 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.26 1otu h SER 136 Cb 1.21 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.59 1otu h SER 136 CO 0.21 0.46 0.43 0.00 -1.14 0.00 0.00 176.83 176.79 1otu n ALA 137 N -2.35 4.88 -1.89 3.77 0.00 -1.26 -4.94 120.51 118.72 1otu n ALA 137 Ca -0.01 -1.76 -0.43 0.00 0.00 0.00 0.00 53.44 51.25 1otu n ALA 137 Cb 0.54 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 1otu n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1otu s ALA 138 N -1.95 2.80 -1.34 0.00 0.00 -1.06 -4.88 121.76 115.33 1otu s ALA 138 Ca 0.33 0.37 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 1otu s ALA 138 Cb 0.27 -4.04 -0.07 0.00 0.00 0.00 0.00 23.12 19.28 1otu s ALA 138 CO 0.02 -2.73 2.54 0.00 0.00 0.00 0.00 175.76 175.59 1otu n ALA 139 N 10.80 6.17 -1.39 0.00 0.00 -1.26 -4.89 120.51 129.94 1otu n ALA 139 Ca 0.25 -3.12 -0.15 0.00 0.00 0.00 0.00 53.44 50.42 1otu n ALA 139 Cb 0.47 -3.31 -0.14 0.00 0.00 0.00 0.00 19.45 16.46 1otu n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1otu n ALA 140 N 4.39 0.81 -2.04 0.00 0.00 -1.26 -4.88 120.51 117.52 1otu n ALA 140 Ca 0.63 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1otu n ALA 140 Cb 0.24 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1otu n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1otu n ALA 141 N 8.11 0.00 -0.19 0.00 0.00 -1.26 -5.00 120.51 122.17 1otu n ALA 141 Ca 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.88 1otu n ALA 141 Cb 0.29 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.78 1otu n ALA 141 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1otu h SER 142 N 0.00 -0.82 -3.48 0.00 4.64 -1.98 -3.39 113.55 108.51 1otu h SER 142 Ca 0.00 0.20 -0.67 0.00 -0.47 0.00 0.00 61.79 60.85 1otu h SER 142 Cb 0.00 0.46 -0.15 0.00 -0.31 0.00 0.00 62.40 62.40 1otu h SER 142 CO 0.00 -0.25 -0.68 -0.04 -0.87 0.00 0.00 176.83 174.99 1otu s MET 143 N -6.13 2.62 -0.15 4.77 1.00 -1.26 -1.05 119.30 119.10 1otu s MET 143 Ca -0.14 -0.71 0.02 0.00 0.00 0.00 0.00 55.69 54.86 1otu s MET 143 Cb 0.17 -2.56 0.01 0.00 0.00 0.00 0.00 34.83 32.46 1otu s MET 143 CO 0.71 0.60 -0.19 0.54 0.00 0.00 0.00 175.02 176.68 1otu s VAL 144 N -1.07 1.91 -0.29 -6.03 0.11 0.33 -4.67 120.40 110.68 1otu s VAL 144 Ca 0.19 -0.87 -0.16 0.00 -2.93 0.00 0.00 61.98 58.21 1otu s VAL 144 Cb -0.11 -1.71 -0.03 0.00 -1.53 0.00 0.00 36.38 33.00 1otu s VAL 144 CO 0.10 0.52 0.43 -0.89 -3.33 0.00 0.00 175.10 171.92 1otu s THR 145 N 1.04 5.12 0.00 5.04 2.01 -1.26 -1.33 115.64 126.26 1otu s THR 145 Ca -0.03 0.52 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1otu s THR 145 Cb -0.14 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.58 1otu s THR 145 CO -0.06 0.04 0.00 0.18 -0.69 0.00 0.00 174.62 174.09 1otu n LEU 146 N 5.46 0.00 0.00 4.42 4.77 -0.96 -4.61 117.00 126.08 1otu n LEU 146 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1otu n LEU 146 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1otu n LEU 146 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1otu n GLY 147 N 5.00 4.09 3.04 -0.72 0.00 -1.21 -3.24 105.19 112.14 1otu n GLY 147 Ca 0.00 -1.26 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 1otu n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1otu s LEU 149 N -0.81 4.22 -0.32 0.00 2.96 0.11 -1.37 118.68 123.46 1otu s LEU 149 Ca -0.02 0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1otu s LEU 149 Cb -0.06 -2.41 0.07 0.00 0.50 0.00 0.00 46.19 44.29 1otu s LEU 149 CO 0.00 0.05 0.02 -0.69 -1.32 0.00 0.00 176.35 174.42 1otu s VAL 150 N 0.72 2.84 0.20 1.68 1.01 0.84 -0.75 120.40 126.93 1otu s VAL 150 Ca 0.17 -1.65 0.04 0.00 0.00 0.00 0.00 61.98 60.54 1otu s VAL 150 Cb -0.14 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1otu s VAL 150 CO 0.05 -0.25 -0.04 -1.59 0.00 0.00 0.00 175.10 173.27 1otu s LYS 151 N 1.17 1.23 -0.88 2.72 -2.85 -0.73 -0.63 119.74 119.78 1otu s LYS 151 Ca -0.02 -1.59 -0.04 0.00 -1.00 0.00 0.00 55.97 53.32 1otu s LYS 151 Cb -0.20 -0.60 -0.05 0.00 -2.06 0.00 0.00 37.83 34.92 1otu s LYS 151 CO -0.03 -0.04 0.77 0.41 0.10 0.00 0.00 175.35 176.55 1otu n GLY 152 N -0.33 -0.74 3.23 0.59 0.00 -0.25 -0.84 105.19 106.84 1otu n GLY 152 Ca -0.07 0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 1otu n GLY 152 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1otu s TYR 153 N -3.32 1.17 -0.29 1.61 -0.85 -0.96 -4.12 117.35 110.60 1otu s TYR 153 Ca 0.34 -1.13 -0.25 0.00 -0.52 0.00 0.00 57.07 55.51 1otu s TYR 153 Cb -0.04 -0.66 0.14 0.00 0.38 0.00 0.00 41.96 41.77 1otu s TYR 153 CO 0.61 -0.35 1.13 0.12 -1.52 0.00 0.00 175.55 175.54 1otu s PHE 154 N -3.81 -0.38 0.18 -3.49 5.36 -0.59 0.45 117.98 115.70 1otu s PHE 154 Ca 0.28 0.92 0.01 0.00 -0.96 0.00 0.00 56.93 57.18 1otu s PHE 154 Cb 0.07 0.39 0.03 0.00 -0.34 0.00 0.00 43.02 43.17 1otu s PHE 154 CO 0.06 -0.18 0.25 -0.35 -1.46 0.00 0.00 175.22 173.53 1otu n PRO 155 N 2.12 0.68 -1.53 10.12 -0.04 -1.26 0.13 135.00 145.22 1otu n PRO 155 Ca -0.12 -0.82 -0.34 0.00 -0.04 0.00 0.00 63.50 62.18 1otu n PRO 155 Cb 0.56 -0.12 0.08 0.00 -0.04 0.00 0.00 33.50 33.98 1otu n PRO 155 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1otu s GLU 156 N -2.92 2.35 0.47 0.54 0.41 -1.26 -4.79 118.70 113.51 1otu s GLU 156 Ca 0.18 1.60 0.01 0.00 -0.41 0.00 0.00 54.97 56.35 1otu s GLU 156 Cb -0.01 -1.88 -0.00 0.00 -1.78 0.00 0.00 34.13 30.46 1otu s GLU 156 CO 0.11 -1.64 0.04 -0.35 -0.49 0.00 0.00 175.26 172.94 1otu n PRO 157 N -2.67 0.73 -4.38 0.39 -0.04 -1.26 -4.96 135.00 122.81 1otu n PRO 157 Ca 0.12 -3.56 -0.26 0.00 -0.04 0.00 0.00 63.50 59.76 1otu n PRO 157 Cb 0.51 1.24 -0.12 0.00 -0.04 0.00 0.00 33.50 35.08 1otu n PRO 157 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1otu s VAL 158 N -2.88 2.14 -0.19 0.52 -7.23 -1.26 -4.41 120.40 107.09 1otu s VAL 158 Ca 0.06 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1otu s VAL 158 Cb 0.00 -1.95 0.03 0.00 0.56 0.00 0.00 36.38 35.02 1otu s VAL 158 CO 0.04 -0.08 -0.16 0.42 -0.31 0.00 0.00 175.10 175.01 1otu s THR 159 N -1.47 1.96 -0.17 5.32 -4.23 -0.60 -4.95 115.64 111.49 1otu s THR 159 Ca 0.16 -1.02 -0.01 0.00 -1.18 0.00 0.00 61.69 59.63 1otu s THR 159 Cb -0.09 -1.86 -0.01 0.00 1.34 0.00 0.00 72.50 71.89 1otu s THR 159 CO 0.07 0.39 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.73 1otu s VAL 160 N 1.30 2.94 0.39 2.29 1.01 -1.26 -2.07 120.40 125.00 1otu s VAL 160 Ca 0.02 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1otu s VAL 160 Cb -0.15 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1otu s VAL 160 CO -0.11 0.49 0.09 0.42 0.00 0.00 0.00 175.10 176.00 1otu s THR 161 N 0.91 0.86 -0.01 3.92 -4.23 -1.00 -5.00 115.64 111.09 1otu s THR 161 Ca -0.03 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.52 1otu s THR 161 Cb -0.15 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 1otu s THR 161 CO -0.01 0.00 -0.13 0.26 -0.54 0.00 0.00 174.62 174.20 1otu s TRP 162 N -3.21 1.21 -0.83 3.99 0.52 -1.26 -1.88 118.94 117.48 1otu s TRP 162 Ca 0.26 -0.24 0.00 0.00 0.02 0.00 0.00 56.10 56.14 1otu s TRP 162 Cb 0.05 -0.79 0.00 0.00 -1.15 0.00 0.00 33.47 31.58 1otu s TRP 162 CO 0.14 -0.04 0.00 0.09 0.02 0.00 0.00 176.95 177.16 1otu n ASN 163 N 2.82 -2.45 0.00 2.95 3.02 0.21 0.14 115.26 121.95 1otu n ASN 163 Ca -0.15 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1otu n ASN 163 Cb 0.55 -2.35 0.00 0.00 -0.61 0.00 0.00 39.78 37.37 1otu n ASN 163 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1otu n SER 164 N -0.52 -1.02 0.00 6.41 7.64 -1.26 -3.65 113.62 121.21 1otu n SER 164 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1otu n SER 164 Cb 0.37 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1otu n SER 164 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1otu n GLY 165 N -1.15 2.80 0.05 0.23 0.00 0.38 -4.84 105.19 102.67 1otu n GLY 165 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.96 1otu n GLY 165 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1otu n SER 166 N 0.43 0.08 -3.71 1.61 3.41 -1.19 -2.28 113.62 111.96 1otu n SER 166 Ca 0.00 0.30 -0.29 0.00 -0.26 0.00 0.00 58.87 58.62 1otu n SER 166 Cb 0.00 -0.26 -0.12 0.00 -0.26 0.00 0.00 64.21 63.56 1otu n SER 166 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1otu s LEU 167 N -2.90 2.97 -0.02 1.04 2.96 -1.15 -4.94 118.68 116.65 1otu s LEU 167 Ca -0.00 -2.92 0.17 0.00 -0.22 0.00 0.00 54.13 51.16 1otu s LEU 167 Cb 0.01 -1.09 -0.24 0.00 0.50 0.00 0.00 46.19 45.37 1otu s LEU 167 CO 0.03 -0.22 0.49 0.00 -1.32 0.00 0.00 176.35 175.33 1otu n ALA 168 N 3.15 3.17 -2.61 5.97 0.00 -0.97 -4.36 120.51 124.85 1otu n ALA 168 Ca 0.13 -0.43 -0.41 0.00 0.00 0.00 0.00 53.44 52.73 1otu n ALA 168 Cb 0.36 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 19.15 1otu n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1otu s ALA 169 N -2.99 3.57 0.00 0.00 0.00 -1.26 -3.82 121.76 117.27 1otu s ALA 169 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1otu s ALA 169 Cb 0.12 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1otu s ALA 169 CO 0.71 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1otu n GLY 170 N 4.33 1.02 3.90 0.00 0.00 -1.26 -4.78 105.19 108.40 1otu n GLY 170 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1otu n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1otu s VAL 171 N -2.00 5.44 0.01 1.61 1.01 -1.25 -0.15 120.40 125.07 1otu s VAL 171 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1otu s VAL 171 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 1otu s VAL 171 CO 0.00 0.36 0.00 -1.00 0.00 0.00 0.00 175.10 174.46 1otu s HIS 172 N -1.29 0.15 -0.30 5.22 3.76 0.47 -4.94 115.29 118.36 1otu s HIS 172 Ca 0.26 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 1otu s HIS 172 Cb -0.13 -0.12 0.14 0.00 1.11 0.00 0.00 32.58 33.59 1otu s HIS 172 CO 0.17 -0.15 0.31 0.99 -0.85 0.00 0.00 174.74 175.21 1otu s THR 173 N -1.03 -0.41 0.74 1.30 2.01 -1.26 -0.37 115.64 116.62 1otu s THR 173 Ca -0.11 -0.54 -0.14 0.00 0.31 0.00 0.00 61.69 61.21 1otu s THR 173 Cb -0.07 -0.95 0.05 0.00 0.01 0.00 0.00 72.50 71.53 1otu s THR 173 CO -0.00 -0.47 1.18 -0.36 -0.69 0.00 0.00 174.62 174.27 1otu s PHE 174 N 2.26 2.12 0.44 4.92 0.08 -0.99 -4.96 117.98 121.86 1otu s PHE 174 Ca 0.10 1.61 -0.24 0.00 0.12 0.00 0.00 56.93 58.53 1otu s PHE 174 Cb -0.14 -3.39 -0.08 0.00 -0.57 0.00 0.00 43.02 38.85 1otu s PHE 174 CO -0.29 -2.44 1.18 -2.14 -0.10 0.00 0.00 175.22 171.43 1otu s PRO 175 N -4.07 3.86 0.31 0.24 0.02 -1.26 -4.63 135.00 129.48 1otu s PRO 175 Ca 0.72 1.84 -0.29 0.00 0.02 0.00 0.00 61.00 63.29 1otu s PRO 175 Cb -0.26 -2.53 -0.10 0.00 0.02 0.00 0.00 34.50 31.63 1otu s PRO 175 CO 0.46 -0.48 1.25 0.00 -0.33 0.00 0.00 177.00 177.90 1otu s ALA 176 N -1.47 3.48 -0.11 -1.55 0.00 -1.26 -4.81 121.76 116.04 1otu s ALA 176 Ca 0.61 1.16 -0.02 0.00 0.00 0.00 0.00 51.96 53.70 1otu s ALA 176 Cb -0.30 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 1otu s ALA 176 CO 0.38 -0.51 -0.01 0.14 0.00 0.00 0.00 175.76 175.76 1otu s VAL 177 N -1.07 4.16 0.01 0.00 -7.23 -0.61 -4.89 120.40 110.77 1otu s VAL 177 Ca 0.48 -0.29 -0.11 0.00 -1.81 0.00 0.00 61.98 60.25 1otu s VAL 177 Cb -0.37 -2.77 -0.05 0.00 0.56 0.00 0.00 36.38 33.74 1otu s VAL 177 CO 0.49 0.57 0.36 -0.22 -0.31 0.00 0.00 175.10 175.98 1otu s LEU 178 N -0.50 4.42 -0.30 1.32 2.96 -1.26 -1.34 118.68 123.98 1otu s LEU 178 Ca 0.08 0.81 -0.13 0.00 -0.22 0.00 0.00 54.13 54.67 1otu s LEU 178 Cb -0.12 -2.64 0.16 0.00 0.50 0.00 0.00 46.19 44.09 1otu s LEU 178 CO 0.02 0.28 0.89 -1.58 -1.32 0.00 0.00 176.35 174.65 1otu s GLN 179 N -1.39 0.37 -1.03 1.98 0.74 0.36 -4.96 119.66 115.73 1otu s GLN 179 Ca 0.26 0.90 -0.01 0.00 0.05 0.00 0.00 55.36 56.55 1otu s GLN 179 Cb -0.15 0.54 -0.01 0.00 1.10 0.00 0.00 33.01 34.49 1otu s GLN 179 CO 0.14 -0.15 0.86 0.00 -0.55 0.00 0.00 175.29 175.59 1otu n ALA 180 N 5.14 -1.85 -2.73 1.58 0.00 -1.26 -2.47 120.51 118.91 1otu n ALA 180 Ca -0.09 -0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.17 1otu n ALA 180 Cb 0.52 -2.72 -0.00 0.00 0.00 0.00 0.00 19.45 17.24 1otu n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1otu n ALA 181 N -3.60 -0.87 -3.24 0.00 0.00 -1.26 -4.95 120.51 106.59 1otu n ALA 181 Ca -0.22 0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1otu n ALA 181 Cb 0.64 -2.00 -0.13 0.00 0.00 0.00 0.00 19.45 17.96 1otu n ALA 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1otu s LEU 182 N -5.92 1.13 0.21 0.00 1.43 -1.03 -4.81 118.68 109.68 1otu s LEU 182 Ca 0.13 0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 53.56 1otu s LEU 182 Cb -0.07 0.58 -0.05 0.00 0.03 0.00 0.00 46.19 46.69 1otu s LEU 182 CO 0.16 -0.09 0.44 -0.31 0.23 0.00 0.00 176.35 176.78 1otu s TYR 183 N 0.40 3.48 -0.20 0.29 4.12 0.17 -0.48 117.35 125.12 1otu s TYR 183 Ca -0.03 0.51 -0.09 0.00 0.02 0.00 0.00 57.07 57.49 1otu s TYR 183 Cb -0.04 -1.99 0.08 0.00 -1.52 0.00 0.00 41.96 38.50 1otu s TYR 183 CO -0.02 0.34 0.46 0.99 0.02 0.00 0.00 175.55 177.34 1otu s THR 184 N -1.86 -0.44 0.04 -0.71 2.01 -0.45 -1.10 115.64 113.15 1otu s THR 184 Ca 0.41 0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.48 1otu s THR 184 Cb -0.11 -0.70 -0.01 0.00 0.01 0.00 0.00 72.50 71.68 1otu s THR 184 CO 0.27 0.05 0.09 -1.48 -0.69 0.00 0.00 174.62 172.86 1otu s LEU 185 N 2.19 1.84 0.23 4.42 0.05 0.20 -1.58 118.68 126.03 1otu s LEU 185 Ca -0.05 -0.58 0.11 0.00 0.05 0.00 0.00 54.13 53.66 1otu s LEU 185 Cb -0.10 0.59 -0.05 0.00 -2.05 0.00 0.00 46.19 44.58 1otu s LEU 185 CO -0.14 -0.53 -0.22 -0.94 -0.55 0.00 0.00 176.35 173.98 1otu s SER 186 N -2.23 3.40 -0.09 1.48 1.04 -1.26 -0.11 113.70 115.93 1otu s SER 186 Ca -0.03 -0.94 0.03 0.00 0.48 0.00 0.00 55.95 55.48 1otu s SER 186 Cb -0.00 -0.26 0.01 0.00 0.10 0.00 0.00 66.02 65.87 1otu s SER 186 CO -0.05 0.07 -0.17 -0.55 0.98 0.00 0.00 173.24 173.51 1otu s SER 187 N -3.03 2.38 -0.05 7.02 0.15 -0.47 -2.34 113.70 117.36 1otu s SER 187 Ca 0.24 -0.42 -0.03 0.00 0.70 0.00 0.00 55.95 56.44 1otu s SER 187 Cb -0.06 -1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 63.12 1otu s SER 187 CO 0.11 0.06 0.13 -0.55 1.20 0.00 0.00 173.24 174.20 1otu s SER 188 N 0.67 6.11 -0.27 5.45 0.15 0.50 -1.63 113.70 124.68 1otu s SER 188 Ca -0.13 0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1otu s SER 188 Cb -0.16 -1.88 0.16 0.00 -1.71 0.00 0.00 66.02 62.42 1otu s SER 188 CO 0.03 0.32 0.44 0.54 1.20 0.00 0.00 173.24 175.77 1otu s VAL 189 N -1.17 -0.70 -0.16 4.45 0.11 -1.20 0.18 120.40 121.91 1otu s VAL 189 Ca 0.22 -0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 58.93 1otu s VAL 189 Cb -0.12 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1otu s VAL 189 CO 0.12 -0.16 0.51 -0.89 -3.33 0.00 0.00 175.10 171.35 1otu s THR 190 N 2.61 5.13 0.16 5.04 2.01 0.79 -2.27 115.64 129.11 1otu s THR 190 Ca 0.12 0.98 0.01 0.00 0.31 0.00 0.00 61.69 63.12 1otu s THR 190 Cb -0.14 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1otu s THR 190 CO -0.23 0.24 -0.00 0.68 -0.69 0.00 0.00 174.62 174.62 1otu s VAL 191 N 1.19 0.61 0.01 3.82 -7.23 -0.44 -4.60 120.40 113.76 1otu s VAL 191 Ca 0.26 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.16 1otu s VAL 191 Cb -0.15 -2.05 -0.07 0.00 0.56 0.00 0.00 36.38 34.67 1otu s VAL 191 CO 0.10 -0.53 1.61 -2.84 -0.31 0.00 0.00 175.10 173.13 1otu s PRO 192 N -3.92 4.21 0.28 4.82 0.02 -1.26 0.12 135.00 139.27 1otu s PRO 192 Ca 0.22 2.22 -0.01 0.00 0.02 0.00 0.00 61.00 63.44 1otu s PRO 192 Cb 0.06 -3.73 0.63 0.00 0.02 0.00 0.00 34.50 31.49 1otu s PRO 192 CO 0.02 -0.74 1.60 0.66 -0.33 0.00 0.00 177.00 178.21 1otu h SER 193 N 8.65 -0.41 0.19 2.53 4.64 -1.29 2.17 113.55 130.03 1otu h SER 193 Ca -0.41 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1otu h SER 193 Cb 1.19 0.43 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1otu h SER 193 CO 0.93 -0.28 0.00 -1.54 -0.87 0.00 0.00 176.83 175.08 1otu n SER 194 N -5.42 0.00 -0.07 4.97 3.41 -1.26 -1.91 113.62 113.34 1otu n SER 194 Ca 0.20 0.33 -0.05 0.00 -0.26 0.00 0.00 58.87 59.09 1otu n SER 194 Cb 0.65 -0.39 -0.15 0.00 -0.26 0.00 0.00 64.21 64.06 1otu n SER 194 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1otu n SER 195 N -1.39 0.14 0.00 4.04 2.88 0.73 -4.74 113.62 115.28 1otu n SER 195 Ca 0.03 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1otu n SER 195 Cb 0.07 1.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.55 1otu n SER 195 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 1otu n TRP 196 N -2.70 0.00 -0.23 0.66 -0.00 -0.80 -3.07 117.44 111.29 1otu n TRP 196 Ca -0.25 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.33 1otu n TRP 196 Cb 1.02 0.00 0.16 0.00 -0.00 0.00 0.00 31.31 32.49 1otu n TRP 196 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1otu n PRO 197 N -0.21 -0.06 0.14 5.87 -0.02 -1.26 0.17 135.00 139.65 1otu n PRO 197 Ca 0.00 1.01 0.08 0.00 -2.02 0.00 0.00 63.50 62.57 1otu n PRO 197 Cb 0.00 -1.57 0.57 0.00 -0.02 0.00 0.00 33.50 32.48 1otu n PRO 197 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1otu h SER 198 N 0.00 0.17 -2.62 2.55 4.64 -1.85 -3.44 113.55 113.00 1otu h SER 198 Ca 0.38 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1otu h SER 198 Cb 0.72 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1otu h SER 198 CO -0.64 0.12 0.00 -0.62 -0.87 0.00 0.00 176.83 174.81 1otu n GLU 199 N -4.50 2.38 -3.92 4.77 1.02 0.46 -5.12 120.64 115.74 1otu n GLU 199 Ca 0.01 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.80 1otu n GLU 199 Cb 0.13 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.42 1otu n GLU 199 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1otu s THR 200 N 0.48 3.00 -0.47 2.62 2.01 -1.26 -4.90 115.64 117.12 1otu s THR 200 Ca 0.00 -1.23 -0.13 0.00 0.31 0.00 0.00 61.69 60.64 1otu s THR 200 Cb 0.00 -2.65 0.09 0.00 0.01 0.00 0.00 72.50 69.95 1otu s THR 200 CO 0.00 0.00 0.37 -0.69 -0.69 0.00 0.00 174.62 173.62 1otu s VAL 201 N 1.29 4.90 -0.08 3.82 1.01 -1.26 -4.92 120.40 125.15 1otu s VAL 201 Ca -0.03 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.67 1otu s VAL 201 Cb -0.19 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1otu s VAL 201 CO -0.02 -0.62 -0.03 -0.89 0.00 0.00 0.00 175.10 173.54 1otu s THR 202 N 1.56 4.06 -0.19 3.92 2.01 -1.26 -1.41 115.64 124.33 1otu s THR 202 Ca 0.04 -0.34 -0.02 0.00 0.31 0.00 0.00 61.69 61.68 1otu s THR 202 Cb -0.25 -2.69 -0.00 0.00 0.01 0.00 0.00 72.50 69.57 1otu s THR 202 CO 0.04 0.60 -0.10 0.00 -0.69 0.00 0.00 174.62 174.47 1otu s ASN 204 N 1.14 5.45 -0.06 0.00 -0.87 -0.79 -0.87 114.94 118.94 1otu s ASN 204 Ca 0.01 -1.20 -0.04 0.00 -1.57 0.00 0.00 52.86 50.06 1otu s ASN 204 Cb -0.14 -1.92 -0.04 0.00 -0.02 0.00 0.00 41.25 39.13 1otu s ASN 204 CO -0.03 -0.38 0.12 -0.69 -2.57 0.00 0.00 177.10 173.55 1otu s VAL 205 N 1.43 5.18 -0.01 1.60 1.01 -0.05 -2.37 120.40 127.19 1otu s VAL 205 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1otu s VAL 205 Cb -0.20 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1otu s VAL 205 CO 0.03 0.47 -0.05 0.00 0.00 0.00 0.00 175.10 175.56 1otu s ALA 206 N -1.14 0.45 -0.40 5.51 0.00 -0.88 -1.20 121.76 124.10 1otu s ALA 206 Ca 0.20 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1otu s ALA 206 Cb -0.12 -0.16 0.13 0.00 0.00 0.00 0.00 23.12 22.97 1otu s ALA 206 CO 0.10 0.08 0.21 -1.58 0.00 0.00 0.00 175.76 174.58 1otu s HIS 207 N 0.06 1.72 0.19 0.00 2.46 -0.35 -1.56 115.29 117.82 1otu s HIS 207 Ca -0.00 -2.18 -0.16 0.00 0.47 0.00 0.00 55.06 53.19 1otu s HIS 207 Cb -0.04 -1.70 0.17 0.00 -0.13 0.00 0.00 32.58 30.88 1otu s HIS 207 CO -0.00 -0.81 1.64 -1.35 -2.47 0.00 0.00 174.74 171.75 1otu h PRO 208 N 6.99 -0.02 0.50 2.88 0.11 -1.78 -0.60 132.00 140.09 1otu h PRO 208 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1otu h PRO 208 Cb 0.95 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1otu h PRO 208 CO 0.44 -0.01 -0.46 0.00 -0.21 0.00 0.00 178.00 177.75 1otu h ALA 209 N 1.48 -1.06 0.00 -0.75 0.00 -1.91 -0.22 119.26 116.81 1otu h ALA 209 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1otu h ALA 209 Cb 0.41 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1otu h ALA 209 CO -0.56 -1.13 0.00 0.45 0.00 0.00 0.00 179.25 178.01 1otu n SER 210 N -5.55 0.00 -3.18 0.00 2.88 -1.08 -4.85 113.62 101.84 1otu n SER 210 Ca -0.12 0.50 -0.22 0.00 -1.33 0.00 0.00 58.87 57.69 1otu n SER 210 Cb 0.44 -0.50 0.05 0.00 -0.75 0.00 0.00 64.21 63.46 1otu n SER 210 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1otu n SER 211 N -1.50 -6.14 -4.35 -3.46 2.88 -0.09 -4.82 113.62 96.14 1otu n SER 211 Ca 0.01 -0.39 -0.20 0.00 -1.33 0.00 0.00 58.87 56.97 1otu n SER 211 Cb 0.05 -4.87 -0.10 0.00 -0.75 0.00 0.00 64.21 58.53 1otu n SER 211 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1otu s THR 212 N -3.23 1.80 -0.11 2.46 -4.23 -0.72 -5.00 115.64 106.61 1otu s THR 212 Ca 0.42 -2.14 -0.05 0.00 -1.18 0.00 0.00 61.69 58.73 1otu s THR 212 Cb -0.18 -2.00 0.05 0.00 1.34 0.00 0.00 72.50 71.71 1otu s THR 212 CO 0.52 -0.51 0.25 -0.54 -0.54 0.00 0.00 174.62 173.80 1otu s LYS 213 N -3.41 0.19 0.01 3.99 1.02 -1.26 -1.21 119.74 119.07 1otu s LYS 213 Ca 0.21 0.60 0.00 0.00 0.02 0.00 0.00 55.97 56.80 1otu s LYS 213 Cb -0.02 -0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 37.18 1otu s LYS 213 CO 0.07 -0.20 -0.01 0.14 -0.92 0.00 0.00 175.35 174.43 1otu s VAL 214 N 1.59 0.06 -0.31 3.17 -7.23 -0.34 -5.02 120.40 112.31 1otu s VAL 214 Ca -0.06 -0.33 0.01 0.00 -1.81 0.00 0.00 61.98 59.79 1otu s VAL 214 Cb -0.11 -0.11 0.07 0.00 0.56 0.00 0.00 36.38 36.79 1otu s VAL 214 CO -0.09 -0.17 -0.00 -1.81 -0.31 0.00 0.00 175.10 172.72 1otu s ASP 215 N -0.51 4.76 -0.23 4.85 1.01 -1.26 -0.87 116.67 124.42 1otu s ASP 215 Ca -0.05 -1.57 -0.14 0.00 0.71 0.00 0.00 52.55 51.50 1otu s ASP 215 Cb -0.04 -1.66 -0.04 0.00 1.01 0.00 0.00 42.92 42.20 1otu s ASP 215 CO -0.00 -0.29 0.31 -0.75 0.21 0.00 0.00 175.17 174.64 1otu s LYS 216 N 1.12 4.10 -0.40 8.23 2.47 -0.05 -4.90 119.74 130.31 1otu s LYS 216 Ca -0.02 -0.00 -0.23 0.00 -1.56 0.00 0.00 55.97 54.16 1otu s LYS 216 Cb -0.20 -3.57 0.02 0.00 -1.46 0.00 0.00 37.83 32.62 1otu s LYS 216 CO -0.04 -0.06 0.80 0.21 0.16 0.00 0.00 175.35 176.42 1otu s LYS 217 N 1.39 3.62 -0.50 4.03 2.20 -1.26 -1.25 119.74 127.97 1otu s LYS 217 Ca 0.14 0.16 -0.28 0.00 -0.36 0.00 0.00 55.97 55.63 1otu s LYS 217 Cb -0.15 -3.86 -0.01 0.00 -1.51 0.00 0.00 37.83 32.31 1otu s LYS 217 CO 0.07 -0.97 1.66 0.42 -0.36 0.00 0.00 175.35 176.17 1otu s ILE 218 N 3.22 3.58 0.00 5.43 -1.09 -0.50 -4.95 121.20 126.89 1otu s ILE 218 Ca 0.31 0.50 0.04 0.00 -2.23 0.00 0.00 60.65 59.27 1otu s ILE 218 Cb -0.13 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.69 1otu s ILE 218 CO 0.20 -0.83 -0.09 0.68 -1.23 0.00 0.00 174.94 173.66 1otu s VAL 219 N 7.16 3.47 0.49 2.92 -7.23 -1.26 -4.57 120.40 121.38 1otu s VAL 219 Ca 0.66 -0.83 -0.21 0.00 -1.81 0.00 0.00 61.98 59.78 1otu s VAL 219 Cb -0.15 -2.49 -0.09 0.00 0.56 0.00 0.00 36.38 34.21 1otu s VAL 219 CO 0.27 0.40 0.83 -0.81 -0.31 0.00 0.00 175.10 175.48 1otu n PRO 220 N 1.62 0.96 -2.26 4.82 -0.04 -1.26 -4.75 135.00 134.09 1otu n PRO 220 Ca -0.16 0.36 -0.42 0.00 -0.04 0.00 0.00 63.50 63.24 1otu n PRO 220 Cb 0.52 -1.92 -0.03 0.00 -0.04 0.00 0.00 33.50 32.04 1otu n PRO 220 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1otu s ARG 221 N -2.12 4.40 0.00 0.54 0.52 -1.26 -5.09 118.95 115.94 1otu s ARG 221 Ca 0.67 2.00 0.02 0.00 -0.52 0.00 0.00 55.73 57.90 1otu s ARG 221 Cb -0.51 -3.23 0.10 0.00 0.52 0.00 0.00 34.95 31.83 1otu s ARG 221 CO 0.54 -0.26 0.59 0.00 0.02 0.00 0.00 175.30 176.20