#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fat s ILE 2 N 0.00 5.04 -0.11 5.18 1.01 -1.26 -4.91 121.20 126.15 2fat s ILE 2 Ca 0.00 1.41 -0.01 0.00 0.00 0.00 0.00 60.65 62.05 2fat s ILE 2 Cb 0.00 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 2fat s ILE 2 CO 0.00 0.27 -0.08 -0.69 0.00 0.00 0.00 174.94 174.44 2fat s VAL 3 N 0.73 3.57 -0.25 2.92 1.01 -1.26 -4.93 120.40 122.19 2fat s VAL 3 Ca 0.36 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 2fat s VAL 3 Cb -0.18 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 2fat s VAL 3 CO 0.18 0.54 0.02 -0.76 0.00 0.00 0.00 175.10 175.08 2fat s LEU 4 N -0.12 3.31 -0.16 3.92 1.43 -1.26 -0.53 118.68 125.27 2fat s LEU 4 Ca 0.01 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2fat s LEU 4 Cb -0.13 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 2fat s LEU 4 CO 0.03 -0.07 -0.13 0.42 0.23 0.00 0.00 176.35 176.83 2fat s THR 5 N 1.52 2.85 -0.06 5.49 -4.23 -0.13 -4.06 115.64 117.02 2fat s THR 5 Ca 0.05 -0.71 -0.04 0.00 -1.18 0.00 0.00 61.69 59.82 2fat s THR 5 Cb -0.15 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 2fat s THR 5 CO 0.00 0.50 0.13 -1.10 -0.54 0.00 0.00 174.62 173.62 2fat s GLN 6 N 0.84 3.33 0.00 3.99 -0.21 -1.26 0.05 119.66 126.41 2fat s GLN 6 Ca -0.04 -0.29 0.01 0.00 0.02 0.00 0.00 55.36 55.06 2fat s GLN 6 Cb -0.15 -3.06 -0.01 0.00 1.00 0.00 0.00 33.01 30.79 2fat s GLN 6 CO -0.00 0.71 -0.03 -1.12 -2.12 0.00 0.00 175.29 172.73 2fat s SER 7 N -1.48 0.40 0.85 5.90 0.01 0.28 -4.43 113.70 115.22 2fat s SER 7 Ca 0.21 -0.13 -0.08 0.00 1.31 0.00 0.00 55.95 57.26 2fat s SER 7 Cb -0.12 -0.02 0.17 0.00 0.21 0.00 0.00 66.02 66.26 2fat s SER 7 CO 0.11 -0.01 1.16 -2.16 0.41 0.00 0.00 173.24 172.76 2fat s PRO 8 N -0.30 1.07 0.00 12.44 0.04 -1.26 -0.36 135.00 146.64 2fat s PRO 8 Ca -0.01 -0.87 -0.23 0.00 0.04 0.00 0.00 61.00 59.93 2fat s PRO 8 Cb -0.03 -2.10 -0.18 0.00 0.04 0.00 0.00 34.50 32.23 2fat s PRO 8 CO -0.00 -1.98 1.26 -0.44 0.04 0.00 0.00 177.00 175.88 2fat h ASP 9 N -1.09 0.22 -4.09 6.66 3.32 -1.86 -3.42 116.42 116.15 2fat h ASP 9 Ca -0.39 -0.54 -0.22 0.00 0.02 0.00 0.00 57.03 55.90 2fat h ASP 9 Cb 1.24 -0.06 -0.26 0.00 0.22 0.00 0.00 39.33 40.47 2fat h ASP 9 CO 0.36 0.71 -0.72 -0.63 -1.72 0.00 0.00 179.24 177.25 2fat s ILE 10 N -4.07 0.07 -0.09 0.35 1.01 -1.26 -0.48 121.20 116.73 2fat s ILE 10 Ca -0.15 -0.28 -0.25 0.00 0.00 0.00 0.00 60.65 59.98 2fat s ILE 10 Cb 0.03 -0.11 0.06 0.00 0.01 0.00 0.00 42.46 42.45 2fat s ILE 10 CO 0.72 -0.13 0.58 0.28 0.00 0.00 0.00 174.94 176.39 2fat s THR 11 N -0.42 0.01 0.06 2.92 -1.32 -0.21 -4.95 115.64 111.74 2fat s THR 11 Ca -0.04 -0.11 0.09 0.00 -1.21 0.00 0.00 61.69 60.43 2fat s THR 11 Cb -0.03 -0.87 -0.03 0.00 -1.51 0.00 0.00 72.50 70.06 2fat s THR 11 CO -0.00 -0.06 -0.26 0.00 -2.21 0.00 0.00 174.62 172.09 2fat s ALA 12 N -0.79 2.23 0.02 11.08 0.00 -1.26 -0.79 121.76 132.24 2fat s ALA 12 Ca -0.08 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.59 2fat s ALA 12 Cb -0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 2fat s ALA 12 CO 0.06 0.52 -0.04 0.00 0.00 0.00 0.00 175.76 176.30 2fat s ALA 13 N -0.86 0.25 0.55 0.00 0.00 -0.72 -4.83 121.76 116.15 2fat s ALA 13 Ca 0.12 -0.43 -0.15 0.00 0.00 0.00 0.00 51.96 51.49 2fat s ALA 13 Cb -0.10 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.00 2fat s ALA 13 CO 0.03 -0.04 1.01 -1.12 0.00 0.00 0.00 175.76 175.63 2fat s SER 14 N -0.93 6.39 0.31 0.00 0.01 -1.26 -0.48 113.70 117.75 2fat s SER 14 Ca -0.08 1.57 -0.30 0.00 1.31 0.00 0.00 55.95 58.46 2fat s SER 14 Cb -0.06 -2.50 -0.12 0.00 0.21 0.00 0.00 66.02 63.55 2fat s SER 14 CO -0.00 -0.75 1.56 0.18 0.41 0.00 0.00 173.24 174.64 2fat n LEU 15 N -1.92 4.39 0.00 2.44 4.77 -1.26 -1.59 117.00 123.83 2fat n LEU 15 Ca 0.07 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.21 2fat n LEU 15 Cb 0.54 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 2fat n LEU 15 CO 0.49 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2fat n GLY 16 N 1.78 1.46 3.85 -0.72 0.00 0.14 -4.87 105.19 106.83 2fat n GLY 16 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2fat n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2fat s GLN 17 N -0.25 3.98 0.07 1.61 0.74 -0.62 -4.42 119.66 120.78 2fat s GLN 17 Ca 0.00 0.68 -0.22 0.00 0.05 0.00 0.00 55.36 55.87 2fat s GLN 17 Cb 0.00 -2.39 -0.06 0.00 1.10 0.00 0.00 33.01 31.66 2fat s GLN 17 CO 0.00 0.08 0.66 0.21 -0.55 0.00 0.00 175.29 175.70 2fat s LYS 18 N -3.22 4.38 -0.00 1.67 2.20 -1.25 0.62 119.74 124.13 2fat s LYS 18 Ca 0.55 0.90 0.01 0.00 -0.36 0.00 0.00 55.97 57.07 2fat s LYS 18 Cb -0.10 -3.29 -0.00 0.00 -1.51 0.00 0.00 37.83 32.92 2fat s LYS 18 CO 0.20 0.49 -0.03 0.08 -0.36 0.00 0.00 175.35 175.73 2fat s VAL 19 N -0.69 0.27 -0.02 4.02 1.01 -0.33 -4.97 120.40 119.69 2fat s VAL 19 Ca 0.33 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.18 2fat s VAL 19 Cb -0.20 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 35.96 2fat s VAL 19 CO 0.21 0.08 -0.02 -0.89 0.00 0.00 0.00 175.10 174.48 2fat s THR 20 N -0.01 0.27 0.16 3.92 2.01 -1.26 -0.11 115.64 120.62 2fat s THR 20 Ca 0.01 -0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.07 2fat s THR 20 Cb -0.02 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 2fat s THR 20 CO -0.00 0.14 -0.21 0.27 -0.69 0.00 0.00 174.62 174.13 2fat s ILE 21 N 0.63 1.97 0.22 1.82 -4.36 -0.29 -4.85 121.20 116.33 2fat s ILE 21 Ca -0.07 -1.86 0.09 0.00 -0.26 0.00 0.00 60.65 58.55 2fat s ILE 21 Cb -0.10 -1.87 -0.05 0.00 1.25 0.00 0.00 42.46 41.70 2fat s ILE 21 CO -0.01 -0.18 -0.16 0.42 0.24 0.00 0.00 174.94 175.25 2fat s THR 22 N -1.70 1.89 -0.09 8.37 -4.23 0.52 -1.34 115.64 119.05 2fat s THR 22 Ca 0.15 -2.25 -0.01 0.00 -1.18 0.00 0.00 61.69 58.40 2fat s THR 22 Cb -0.07 -2.09 0.03 0.00 1.34 0.00 0.00 72.50 71.71 2fat s THR 22 CO 0.07 -0.55 -0.00 0.00 -0.54 0.00 0.00 174.62 173.60 2fat s SER 24 N 1.93 4.99 -0.17 0.00 0.01 0.11 -1.43 113.70 119.13 2fat s SER 24 Ca 0.04 -0.10 -0.13 0.00 1.31 0.00 0.00 55.95 57.07 2fat s SER 24 Cb -0.13 -1.83 -0.05 0.00 0.21 0.00 0.00 66.02 64.22 2fat s SER 24 CO -0.06 0.14 0.27 0.00 0.41 0.00 0.00 173.24 174.01 2fat s ALA 25 N 0.53 3.60 0.63 1.44 0.00 0.16 -0.96 121.76 127.16 2fat s ALA 25 Ca -0.01 -0.51 0.33 0.00 0.00 0.00 0.00 51.96 51.77 2fat s ALA 25 Cb -0.14 -2.38 1.82 0.00 0.00 0.00 0.00 23.12 22.42 2fat s ALA 25 CO 0.02 0.06 2.09 0.66 0.00 0.00 0.00 175.76 178.59 2fat h SER 26 N 6.77 0.00 -5.31 0.00 4.64 -1.12 -3.42 113.55 115.11 2fat h SER 26 Ca -0.41 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.78 2fat h SER 26 Cb 1.16 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.11 2fat h SER 26 CO 0.75 0.00 -0.52 -0.55 -0.87 0.00 0.00 176.83 175.64 2fat s SER 27 N -5.14 0.24 0.37 4.97 0.15 -1.26 -4.95 113.70 108.08 2fat s SER 27 Ca -0.04 -0.99 -0.27 0.00 0.70 0.00 0.00 55.95 55.34 2fat s SER 27 Cb 0.12 0.32 -0.10 0.00 -1.71 0.00 0.00 66.02 64.66 2fat s SER 27 CO 0.42 -0.75 1.33 -0.55 1.20 0.00 0.00 173.24 174.89 2fat s SER 29 N -2.98 6.51 0.02 5.45 0.15 -1.26 -4.65 113.70 116.94 2fat s SER 29 Ca 0.16 2.72 0.02 0.00 0.70 0.00 0.00 55.95 59.55 2fat s SER 29 Cb 0.06 -2.65 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 2fat s SER 29 CO -0.03 -0.72 -0.06 0.68 1.20 0.00 0.00 173.24 174.31 2fat s VAL 30 N -1.19 0.44 0.10 4.45 -7.23 -0.77 -4.99 120.40 111.21 2fat s VAL 30 Ca 0.53 -0.60 -0.15 0.00 -1.81 0.00 0.00 61.98 59.95 2fat s VAL 30 Cb -0.40 -0.44 -0.10 0.00 0.56 0.00 0.00 36.38 36.00 2fat s VAL 30 CO 0.52 -0.12 1.39 0.28 -0.31 0.00 0.00 175.10 176.86 2fat h SER 31 N 5.33 0.78 -5.07 4.85 0.02 -1.96 -3.33 113.55 114.16 2fat h SER 31 Ca -0.31 -0.51 -0.15 0.00 -0.84 0.00 0.00 61.79 59.98 2fat h SER 31 Cb 1.20 -0.22 -0.19 0.00 0.14 0.00 0.00 62.40 63.33 2fat h SER 31 CO 0.46 1.14 -0.66 -0.31 -1.14 0.00 0.00 176.83 176.31 2fat s TYR 32 N -4.21 0.32 -0.00 3.45 1.51 -1.26 -4.85 117.35 112.30 2fat s TYR 32 Ca -0.12 -0.66 0.03 0.00 -1.01 0.00 0.00 57.07 55.31 2fat s TYR 32 Cb 0.08 -0.23 -0.01 0.00 -0.11 0.00 0.00 41.96 41.69 2fat s TYR 32 CO 0.84 -0.27 -0.11 1.41 -1.11 0.00 0.00 175.55 176.31 2fat s MET 33 N -2.32 0.86 0.27 -0.62 1.75 -1.26 -3.01 119.30 114.96 2fat s MET 33 Ca -0.08 -0.41 0.10 0.00 -1.25 0.00 0.00 55.69 54.05 2fat s MET 33 Cb -0.04 -0.83 -0.04 0.00 2.84 0.00 0.00 34.83 36.76 2fat s MET 33 CO -0.04 0.23 -0.01 -1.01 -0.65 0.00 0.00 175.02 173.53 2fat s HIS 34 N -0.31 2.68 0.01 4.11 3.76 -0.50 -0.01 115.29 125.04 2fat s HIS 34 Ca 0.04 -0.22 0.02 0.00 -0.15 0.00 0.00 55.06 54.75 2fat s HIS 34 Cb -0.04 -1.19 -0.01 0.00 1.11 0.00 0.00 32.58 32.45 2fat s HIS 34 CO -0.00 0.62 -0.08 -1.58 -0.85 0.00 0.00 174.74 172.85 2fat s TRP 35 N -2.32 0.68 0.11 1.40 0.52 0.15 -0.24 118.94 119.24 2fat s TRP 35 Ca 0.31 -0.23 0.06 0.00 0.02 0.00 0.00 56.10 56.26 2fat s TRP 35 Cb -0.06 -0.42 -0.04 0.00 -1.15 0.00 0.00 33.47 31.80 2fat s TRP 35 CO 0.20 -0.02 -0.16 0.71 0.02 0.00 0.00 176.95 177.70 2fat s TYR 36 N -0.53 1.47 -0.13 -1.98 1.51 0.27 -0.92 117.35 117.04 2fat s TYR 36 Ca -0.01 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.57 2fat s TYR 36 Cb -0.05 -0.78 -0.00 0.00 -0.11 0.00 0.00 41.96 41.01 2fat s TYR 36 CO 0.00 0.15 -0.18 -1.14 -1.11 0.00 0.00 175.55 173.27 2fat s GLN 37 N -2.32 3.19 -0.05 -0.62 0.74 -0.34 -1.49 119.66 118.78 2fat s GLN 37 Ca 0.06 -0.79 0.02 0.00 0.05 0.00 0.00 55.36 54.71 2fat s GLN 37 Cb -0.07 -2.49 0.01 0.00 1.10 0.00 0.00 33.01 31.55 2fat s GLN 37 CO 0.03 0.13 -0.11 -1.14 -0.55 0.00 0.00 175.29 173.66 2fat s GLN 38 N 0.50 1.40 -0.09 1.67 0.74 -0.26 -0.60 119.66 123.02 2fat s GLN 38 Ca -0.12 -0.37 0.01 0.00 0.05 0.00 0.00 55.36 54.93 2fat s GLN 38 Cb -0.16 -1.21 -0.02 0.00 1.10 0.00 0.00 33.01 32.71 2fat s GLN 38 CO 0.05 0.07 -0.12 0.15 -0.55 0.00 0.00 175.29 174.88 2fat s LYS 39 N 0.49 2.92 -0.04 1.67 1.02 -1.26 -1.41 119.74 123.12 2fat s LYS 39 Ca -0.10 -0.66 -0.21 0.00 0.02 0.00 0.00 55.97 55.02 2fat s LYS 39 Cb -0.13 -2.53 -0.10 0.00 -0.52 0.00 0.00 37.83 34.55 2fat s LYS 39 CO 0.02 0.46 0.59 -1.13 -0.92 0.00 0.00 175.35 174.38 2fat n SER 40 N 2.79 0.10 -0.08 2.83 3.41 -1.26 -0.96 113.62 120.46 2fat n SER 40 Ca -0.18 0.59 -0.01 0.00 -0.26 0.00 0.00 58.87 59.02 2fat n SER 40 Cb 0.52 -0.47 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2fat n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2fat n GLY 41 N 0.99 0.45 3.29 5.00 0.00 -1.26 -5.02 105.19 108.64 2fat n GLY 41 Ca 0.11 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 2fat n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fat s THR 42 N -1.83 0.95 0.53 2.61 -4.23 -0.13 -5.14 115.64 108.40 2fat s THR 42 Ca 0.00 -2.02 -0.16 0.00 -1.18 0.00 0.00 61.69 58.32 2fat s THR 42 Cb 0.00 -2.19 -0.07 0.00 1.34 0.00 0.00 72.50 71.58 2fat s THR 42 CO 0.00 -0.44 1.00 -0.94 -0.54 0.00 0.00 174.62 173.69 2fat s SER 43 N -3.24 6.48 0.51 3.99 1.04 -1.26 -4.57 113.70 116.64 2fat s SER 43 Ca 0.25 1.60 -0.23 0.00 0.48 0.00 0.00 55.95 58.05 2fat s SER 43 Cb 0.05 -2.51 -0.06 0.00 0.10 0.00 0.00 66.02 63.60 2fat s SER 43 CO 0.06 -0.69 1.40 -2.84 0.98 0.00 0.00 173.24 172.15 2fat s PRO 44 N -4.10 3.36 -0.07 4.02 0.02 -1.26 -4.69 135.00 132.28 2fat s PRO 44 Ca 0.60 2.34 0.05 0.00 0.02 0.00 0.00 61.00 64.00 2fat s PRO 44 Cb -0.11 -2.43 -0.01 0.00 0.02 0.00 0.00 34.50 31.97 2fat s PRO 44 CO 0.33 -1.05 -0.21 0.15 -0.33 0.00 0.00 177.00 175.89 2fat s LYS 45 N -2.71 2.65 0.21 5.54 1.02 0.23 -4.93 119.74 121.74 2fat s LYS 45 Ca 0.67 -0.83 -0.32 0.00 0.02 0.00 0.00 55.97 55.51 2fat s LYS 45 Cb -0.42 -2.28 -0.12 0.00 -0.52 0.00 0.00 37.83 34.49 2fat s LYS 45 CO 0.52 0.41 1.71 -2.30 -0.92 0.00 0.00 175.35 174.77 2fat n PRO 46 N 2.88 2.71 0.03 -1.68 -0.02 -1.26 -1.20 135.00 136.46 2fat n PRO 46 Ca -0.17 0.98 -0.01 0.00 -2.02 0.00 0.00 63.50 62.27 2fat n PRO 46 Cb 0.52 -2.81 -0.00 0.00 -0.02 0.00 0.00 33.50 31.18 2fat n PRO 46 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2fat n TRP 47 N 3.86 0.00 -4.67 6.00 -0.00 -0.10 -4.68 117.44 117.85 2fat n TRP 47 Ca 0.16 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.43 2fat n TRP 47 Cb 0.34 -0.06 -0.15 0.00 -0.00 0.00 0.00 31.31 31.44 2fat n TRP 47 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 2fat s ILE 48 N -2.11 1.21 0.08 5.87 1.01 -0.62 -0.80 121.20 125.84 2fat s ILE 48 Ca -0.03 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.94 2fat s ILE 48 Cb 0.00 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 2fat s ILE 48 CO 0.05 0.30 -0.11 0.72 0.00 0.00 0.00 174.94 175.90 2fat s PHE 49 N -0.43 1.02 -1.42 3.97 -0.12 0.17 0.32 117.98 121.49 2fat s PHE 49 Ca 0.05 -0.58 -0.05 0.00 -0.05 0.00 0.00 56.93 56.31 2fat s PHE 49 Cb -0.06 -0.57 0.03 0.00 -0.63 0.00 0.00 43.02 41.79 2fat s PHE 49 CO -0.00 -0.01 0.70 0.39 -0.05 0.00 0.00 175.22 176.25 2fat n GLU 50 N 0.90 -4.52 0.00 1.99 1.02 -1.19 -0.95 120.64 117.89 2fat n GLU 50 Ca -0.19 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 2fat n GLU 50 Cb 0.56 -5.08 0.00 0.00 -0.02 0.00 0.00 31.44 26.90 2fat n GLU 50 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2fat n ILE 51 N -4.41 0.00 -0.27 -3.67 5.41 0.99 -4.16 119.36 113.25 2fat n ILE 51 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2fat n ILE 51 Cb 0.63 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.56 2fat n ILE 51 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2fat n SER 52 N 2.78 0.84 -4.71 4.38 3.41 -1.21 -3.59 113.62 115.51 2fat n SER 52 Ca 0.00 -1.11 -0.39 0.00 -0.26 0.00 0.00 58.87 57.11 2fat n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2fat n SER 52 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2fat s LYS 53 N -0.11 4.38 0.03 4.33 1.02 -0.13 -4.42 119.74 124.84 2fat s LYS 53 Ca 0.00 0.69 -0.29 0.00 0.02 0.00 0.00 55.97 56.40 2fat s LYS 53 Cb 0.00 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 2fat s LYS 53 CO 0.00 0.07 0.92 -0.51 -0.92 0.00 0.00 175.35 174.92 2fat s LEU 54 N 0.83 4.41 0.78 3.17 1.43 -1.26 0.42 118.68 128.47 2fat s LEU 54 Ca 0.32 1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 2fat s LEU 54 Cb -0.17 -3.49 0.06 0.00 0.03 0.00 0.00 46.19 42.62 2fat s LEU 54 CO 0.14 -0.16 1.09 0.00 0.23 0.00 0.00 176.35 177.66 2fat s ALA 55 N 0.60 2.33 0.38 4.21 0.00 0.02 -4.90 121.76 124.39 2fat s ALA 55 Ca 0.48 -0.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.97 2fat s ALA 55 Cb -0.21 -3.11 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 2fat s ALA 55 CO 0.27 -1.65 1.44 0.45 0.00 0.00 0.00 175.76 176.27 2fat s SER 56 N -3.93 6.37 0.00 0.00 0.15 -1.26 -2.60 113.70 112.43 2fat s SER 56 Ca 0.60 2.95 0.00 0.00 0.70 0.00 0.00 55.95 60.20 2fat s SER 56 Cb -0.14 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 2fat s SER 56 CO 0.54 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2fat n GLY 57 N 0.55 0.73 3.35 9.45 0.00 -1.26 -4.96 105.19 113.04 2fat n GLY 57 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2fat n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fat s VAL 58 N -2.26 3.48 0.58 1.61 1.01 -1.07 -5.10 120.40 118.65 2fat s VAL 58 Ca 0.00 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 2fat s VAL 58 Cb 0.00 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2fat s VAL 58 CO 0.00 0.43 1.28 -2.84 0.00 0.00 0.00 175.10 173.98 2fat s PRO 59 N 1.26 2.96 0.42 2.72 0.02 -1.26 -4.89 135.00 136.23 2fat s PRO 59 Ca 0.03 2.04 0.28 0.00 0.02 0.00 0.00 61.00 63.37 2fat s PRO 59 Cb -0.14 -2.05 1.53 0.00 0.02 0.00 0.00 34.50 33.85 2fat s PRO 59 CO -0.01 -1.27 1.87 0.00 -0.33 0.00 0.00 177.00 177.26 2fat h ALA 60 N 1.07 1.00 0.00 -1.55 0.00 -2.00 -2.00 119.26 115.78 2fat h ALA 60 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2fat h ALA 60 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2fat h ALA 60 CO 0.56 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.70 2fat n ARG 61 N -2.50 0.15 -3.45 0.00 1.85 -1.26 -4.66 116.66 106.78 2fat n ARG 61 Ca -0.02 0.42 -0.33 0.00 -1.00 0.00 0.00 57.85 56.92 2fat n ARG 61 Cb 0.05 -1.80 -0.05 0.00 -1.05 0.00 0.00 32.46 29.61 2fat n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2fat s PHE 62 N -3.27 3.50 0.07 2.89 0.40 -0.75 -0.81 117.98 120.01 2fat s PHE 62 Ca 0.04 0.88 -0.22 0.00 -0.60 0.00 0.00 56.93 57.03 2fat s PHE 62 Cb 0.09 -2.25 0.05 0.00 0.51 0.00 0.00 43.02 41.42 2fat s PHE 62 CO 0.33 0.37 0.51 -1.54 0.70 0.00 0.00 175.22 175.60 2fat s SER 63 N -2.10 -0.43 0.05 1.36 1.04 -0.59 -5.00 113.70 108.04 2fat s SER 63 Ca 0.42 0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.97 2fat s SER 63 Cb -0.13 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 2fat s SER 63 CO 0.20 -0.77 -0.11 -0.83 0.98 0.00 0.00 173.24 172.72 2fat s GLY 64 N -2.19 0.65 0.28 7.32 0.00 -1.26 -0.75 107.32 111.37 2fat s GLY 64 Ca -0.03 -0.80 -0.07 0.00 0.00 0.00 0.00 44.72 43.81 2fat s GLY 64 CO -0.05 -0.82 0.43 -1.35 0.00 0.00 0.00 173.10 171.31 2fat s SER 65 N -1.41 0.30 0.00 1.64 1.04 -0.69 -4.12 113.70 110.46 2fat s SER 65 Ca -0.04 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.19 2fat s SER 65 Cb -0.09 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2fat s SER 65 CO 0.01 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.68 2fat n GLY 66 N -0.43 1.87 3.60 7.32 0.00 -1.26 -1.06 105.19 115.24 2fat n GLY 66 Ca -0.00 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 43.92 2fat n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fat s SER 67 N 0.00 -0.12 1.85 1.61 0.01 -0.98 -4.98 113.70 111.10 2fat s SER 67 Ca 0.00 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2fat s SER 67 Cb 0.00 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2fat s SER 67 CO 0.00 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2fat n GLY 68 N -0.22 2.02 0.56 3.44 0.00 -1.25 -2.58 105.19 107.16 2fat n GLY 68 Ca -0.02 0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.33 2fat n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2fat n THR 69 N 0.00 0.00 -4.02 2.61 -2.24 -1.26 -1.84 114.28 107.53 2fat n THR 69 Ca 0.00 -0.44 -0.18 0.00 -2.27 0.00 0.00 64.05 61.16 2fat n THR 69 Cb 0.00 1.29 -0.16 0.00 -2.10 0.00 0.00 70.33 69.36 2fat n THR 69 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2fat s SER 70 N -1.59 0.66 0.18 3.42 0.15 -1.07 0.36 113.70 115.81 2fat s SER 70 Ca 0.17 -0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.79 2fat s SER 70 Cb 0.14 -0.32 -0.05 0.00 -1.71 0.00 0.00 66.02 64.08 2fat s SER 70 CO 0.28 -0.08 -0.06 -0.31 1.20 0.00 0.00 173.24 174.27 2fat s TYR 71 N 1.00 1.36 0.05 3.44 1.51 -0.51 -2.31 117.35 121.89 2fat s TYR 71 Ca -0.10 -0.84 -0.10 0.00 -1.01 0.00 0.00 57.07 55.02 2fat s TYR 71 Cb -0.14 -0.74 0.01 0.00 -0.11 0.00 0.00 41.96 40.98 2fat s TYR 71 CO -0.01 0.01 0.22 -1.54 -1.11 0.00 0.00 175.55 173.11 2fat s SER 72 N -3.21 0.02 -0.07 2.29 1.04 -0.22 -1.31 113.70 112.23 2fat s SER 72 Ca 0.21 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.29 2fat s SER 72 Cb 0.04 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2fat s SER 72 CO 0.04 -0.60 -0.18 -0.22 0.98 0.00 0.00 173.24 173.26 2fat s LEU 73 N -2.23 1.86 0.02 2.42 0.20 -0.45 -1.70 118.68 118.80 2fat s LEU 73 Ca -0.03 -0.40 0.05 0.00 0.69 0.00 0.00 54.13 54.44 2fat s LEU 73 Cb 0.00 -1.07 -0.02 0.00 -0.43 0.00 0.00 46.19 44.68 2fat s LEU 73 CO -0.05 0.11 -0.15 -0.89 -0.29 0.00 0.00 176.35 175.07 2fat s THR 74 N 0.39 1.21 -0.20 3.68 2.01 0.07 -1.14 115.64 121.66 2fat s THR 74 Ca -0.13 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 60.98 2fat s THR 74 Cb -0.15 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.31 2fat s THR 74 CO 0.05 0.16 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.38 2fat s ILE 75 N -0.64 2.58 0.33 1.82 1.01 0.84 -1.54 121.20 125.61 2fat s ILE 75 Ca 0.04 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.87 2fat s ILE 75 Cb -0.07 -2.17 0.22 0.00 0.01 0.00 0.00 42.46 40.45 2fat s ILE 75 CO 0.01 0.44 1.95 0.77 0.00 0.00 0.00 174.94 178.10 2fat h SER 76 N 8.00 0.68 -2.07 3.58 4.64 -1.26 -0.86 113.55 126.26 2fat h SER 76 Ca -0.42 -0.06 -0.21 0.00 -0.47 0.00 0.00 61.79 60.63 2fat h SER 76 Cb 1.14 -0.17 -0.32 0.00 -0.31 0.00 0.00 62.40 62.74 2fat h SER 76 CO 0.61 0.58 -0.54 -0.55 -0.87 0.00 0.00 176.83 176.07 2fat s SER 77 N -6.56 0.67 0.23 4.97 0.15 -1.25 -3.83 113.70 108.08 2fat s SER 77 Ca -0.09 -0.01 -0.32 0.00 0.70 0.00 0.00 55.95 56.23 2fat s SER 77 Cb 0.17 0.87 -0.12 0.00 -1.71 0.00 0.00 66.02 65.22 2fat s SER 77 CO 0.77 -0.32 1.60 0.80 1.20 0.00 0.00 173.24 177.30 2fat n MET 78 N 5.35 2.52 -4.23 5.44 1.56 0.20 -4.61 117.12 123.36 2fat n MET 78 Ca -0.04 0.90 -0.19 0.00 -0.27 0.00 0.00 57.70 58.10 2fat n MET 78 Cb 0.50 -2.68 -0.12 0.00 2.15 0.00 0.00 33.22 33.06 2fat n MET 78 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 2fat s GLU 79 N 0.30 0.88 0.28 2.12 2.02 -1.26 0.26 118.70 123.28 2fat s GLU 79 Ca 0.71 -0.93 -0.04 0.00 0.02 0.00 0.00 54.97 54.73 2fat s GLU 79 Cb -0.56 -0.91 0.57 0.00 0.10 0.00 0.00 34.13 33.33 2fat s GLU 79 CO 0.42 0.21 1.60 0.00 0.02 0.00 0.00 175.26 177.50 2fat h ALA 80 N 4.41 0.91 0.00 5.21 0.00 -1.97 0.25 119.26 128.07 2fat h ALA 80 Ca -0.41 0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2fat h ALA 80 Cb 1.19 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2fat h ALA 80 CO 0.41 -0.47 0.00 -0.85 0.00 0.00 0.00 179.25 178.33 2fat n GLU 81 N -5.46 0.12 0.00 0.00 0.28 -1.26 -1.97 120.64 112.36 2fat n GLU 81 Ca 0.18 0.19 0.13 0.00 -0.16 0.00 0.00 57.16 57.50 2fat n GLU 81 Cb 0.59 -1.50 0.39 0.00 1.43 0.00 0.00 31.44 32.35 2fat n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2fat n ASP 82 N -1.26 0.81 -4.66 -1.84 8.00 0.87 -4.83 116.55 113.63 2fat n ASP 82 Ca 0.04 -0.68 -0.42 0.00 0.71 0.00 0.00 54.79 54.44 2fat n ASP 82 Cb 0.06 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 2fat n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fat s ALA 83 N -2.61 3.62 -0.04 2.24 0.00 -0.83 -4.86 121.76 119.28 2fat s ALA 83 Ca 0.22 0.95 -0.17 0.00 0.00 0.00 0.00 51.96 52.96 2fat s ALA 83 Cb 0.19 -3.74 0.06 0.00 0.00 0.00 0.00 23.12 19.63 2fat s ALA 83 CO 0.55 -1.37 0.78 0.00 0.00 0.00 0.00 175.76 175.72 2fat n ALA 84 N 7.01 -2.23 -2.80 0.00 0.00 -0.65 -4.94 120.51 116.89 2fat n ALA 84 Ca 0.17 -0.44 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 2fat n ALA 84 Cb 0.43 0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 2fat n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2fat s ILE 85 N -2.03 4.67 -0.13 0.00 1.01 -0.50 -0.87 121.20 123.35 2fat s ILE 85 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.75 2fat s ILE 85 Cb -0.00 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 2fat s ILE 85 CO -0.01 0.53 -0.15 -0.31 0.00 0.00 0.00 174.94 175.00 2fat s TYR 86 N -0.19 2.78 -0.06 3.97 2.02 0.17 -1.11 117.35 124.94 2fat s TYR 86 Ca 0.07 -0.78 0.05 0.00 -0.37 0.00 0.00 57.07 56.03 2fat s TYR 86 Cb -0.12 -1.84 -0.02 0.00 -0.40 0.00 0.00 41.96 39.58 2fat s TYR 86 CO 0.02 -0.30 -0.19 0.71 -1.57 0.00 0.00 175.55 174.21 2fat s TYR 87 N 0.48 2.58 0.35 2.71 2.02 -0.55 -1.10 117.35 123.84 2fat s TYR 87 Ca -0.10 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 2fat s TYR 87 Cb -0.16 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 2fat s TYR 87 CO 0.05 -0.01 0.54 0.00 -1.57 0.00 0.00 175.55 174.56 2fat s GLN 89 N -4.31 0.27 0.22 0.00 0.74 0.67 -1.01 119.66 116.25 2fat s GLN 89 Ca 0.41 0.41 -0.31 0.00 0.05 0.00 0.00 55.36 55.92 2fat s GLN 89 Cb -0.10 0.06 -0.10 0.00 1.10 0.00 0.00 33.01 33.97 2fat s GLN 89 CO 0.35 -0.08 1.52 -1.14 -0.55 0.00 0.00 175.29 175.40 2fat s GLN 90 N 0.50 4.22 0.50 1.67 0.74 0.64 -1.41 119.66 126.52 2fat s GLN 90 Ca -0.03 2.38 0.32 0.00 0.05 0.00 0.00 55.36 58.08 2fat s GLN 90 Cb -0.04 -3.11 1.36 0.00 1.10 0.00 0.00 33.01 32.31 2fat s GLN 90 CO -0.03 -0.53 1.95 0.11 -0.55 0.00 0.00 175.29 176.25 2fat h TRP 91 N 5.69 0.00 -2.64 1.67 5.08 -1.88 -3.39 115.95 120.47 2fat h TRP 91 Ca -0.45 0.00 -0.54 0.00 1.08 0.00 0.00 58.89 58.98 2fat h TRP 91 Cb 1.21 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 27.24 2fat h TRP 91 CO 0.62 0.00 -0.54 0.54 -1.28 0.00 0.00 178.44 177.78 2fat s ASN 92 N -5.37 2.69 0.22 0.11 4.22 -1.26 -4.93 114.94 110.61 2fat s ASN 92 Ca 0.01 -1.60 -0.30 0.00 -2.14 0.00 0.00 52.86 48.83 2fat s ASN 92 Cb 0.09 0.38 -0.15 0.00 1.28 0.00 0.00 41.25 42.84 2fat s ASN 92 CO 0.50 -0.86 0.99 0.00 -2.04 0.00 0.00 177.10 175.69 2fat n TYR 93 N -0.86 0.95 0.71 1.54 9.36 -1.26 0.56 117.16 128.16 2fat n TYR 93 Ca -0.05 0.75 0.01 0.00 3.32 0.00 0.00 57.90 61.92 2fat n TYR 93 Cb 0.65 -2.21 0.06 0.00 -0.63 0.00 0.00 39.34 37.22 2fat n TYR 93 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2fat n PRO 94 N 1.21 1.54 -3.38 2.98 -0.04 -1.26 -4.94 135.00 131.11 2fat n PRO 94 Ca 0.14 -0.47 -0.24 0.00 -0.04 0.00 0.00 63.50 62.88 2fat n PRO 94 Cb 0.27 -1.57 0.01 0.00 -0.04 0.00 0.00 33.50 32.17 2fat n PRO 94 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2fat n PHE 96 N 0.11 -1.93 -1.89 0.54 3.72 0.19 -4.90 117.46 113.31 2fat n PHE 96 Ca 0.05 0.56 -0.41 0.00 -0.05 0.00 0.00 57.45 57.60 2fat n PHE 96 Cb 0.42 -3.52 -0.01 0.00 -0.94 0.00 0.00 39.48 35.43 2fat n PHE 96 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2fat s THR 97 N -3.06 2.26 0.19 4.37 2.01 -1.26 -4.59 115.64 115.56 2fat s THR 97 Ca 0.43 0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.72 2fat s THR 97 Cb -0.22 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 2fat s THR 97 CO 0.52 0.06 0.27 -0.36 -0.69 0.00 0.00 174.62 174.43 2fat s PHE 98 N -0.94 3.38 0.78 4.92 0.40 -1.26 -0.26 117.98 124.99 2fat s PHE 98 Ca 0.53 0.03 -0.09 0.00 -0.60 0.00 0.00 56.93 56.80 2fat s PHE 98 Cb -0.45 -1.58 0.09 0.00 0.51 0.00 0.00 43.02 41.60 2fat s PHE 98 CO 0.58 0.49 1.11 0.20 0.70 0.00 0.00 175.22 178.30 2fat s GLY 99 N -3.51 1.68 0.00 4.36 0.00 -0.18 -4.76 107.32 104.91 2fat s GLY 99 Ca 0.34 -0.97 0.20 0.00 0.00 0.00 0.00 44.72 44.29 2fat s GLY 99 CO 0.27 -0.46 1.61 0.61 0.00 0.00 0.00 173.10 175.13 2fat n GLY 100 N -3.16 -0.94 0.00 0.20 0.00 -1.26 -4.69 105.19 95.35 2fat n GLY 100 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2fat n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fat n GLY 101 N 0.38 -0.98 3.01 -0.02 0.00 -1.26 -5.03 105.19 101.28 2fat n GLY 101 Ca 0.09 -1.52 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 2fat n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fat s THR 102 N -3.17 1.10 -0.22 2.61 2.01 -0.25 -4.77 115.64 112.94 2fat s THR 102 Ca 0.00 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 2fat s THR 102 Cb 0.00 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 2fat s THR 102 CO 0.00 0.35 0.40 -0.75 -0.69 0.00 0.00 174.62 173.93 2fat s LYS 103 N 0.77 4.13 -0.21 4.92 2.20 0.37 -0.66 119.74 131.27 2fat s LYS 103 Ca -0.13 0.18 -0.04 0.00 -0.36 0.00 0.00 55.97 55.62 2fat s LYS 103 Cb -0.15 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 2fat s LYS 103 CO 0.02 -0.11 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.71 2fat s LEU 104 N 1.54 3.07 0.23 5.43 2.96 -0.05 -1.04 118.68 130.83 2fat s LEU 104 Ca 0.18 -0.29 0.10 0.00 -0.22 0.00 0.00 54.13 53.90 2fat s LEU 104 Cb -0.15 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2fat s LEU 104 CO 0.08 0.03 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.45 2fat s GLU 105 N 1.18 2.06 -0.15 1.98 2.02 0.03 -1.64 118.70 124.19 2fat s GLU 105 Ca 0.03 -1.42 -0.18 0.00 0.02 0.00 0.00 54.97 53.41 2fat s GLU 105 Cb -0.14 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 2fat s GLU 105 CO 0.00 0.39 0.49 0.96 0.02 0.00 0.00 175.26 177.12 2fat s ILE 106 N -2.07 5.16 0.38 -1.63 -4.36 -1.26 -1.76 121.20 115.66 2fat s ILE 106 Ca 0.28 0.95 -0.24 0.00 -0.26 0.00 0.00 60.65 61.38 2fat s ILE 106 Cb -0.07 -3.82 -0.10 0.00 1.25 0.00 0.00 42.46 39.71 2fat s ILE 106 CO 0.17 0.27 0.95 -0.75 0.24 0.00 0.00 174.94 175.82 2fat s LYS 106 N 0.99 4.40 0.23 0.37 2.20 0.37 -4.83 119.74 123.46 2fat s LYS 106 Ca 0.25 1.23 -0.11 0.00 -0.36 0.00 0.00 55.97 56.99 2fat s LYS 106 Cb -0.15 -2.49 -0.01 0.00 -1.51 0.00 0.00 37.83 33.67 2fat s LYS 106 CO 0.10 0.11 0.41 -0.98 -0.36 0.00 0.00 175.35 174.63 2fat s ARG 107 N -2.62 1.45 0.48 4.03 1.70 -1.26 -4.55 118.95 118.17 2fat s ARG 107 Ca 0.56 -1.28 -0.24 0.00 -0.47 0.00 0.00 55.73 54.30 2fat s ARG 107 Cb -0.14 0.43 -0.07 0.00 -0.57 0.00 0.00 34.95 34.60 2fat s ARG 107 CO 0.19 -0.58 1.41 0.00 -1.08 0.00 0.00 175.30 175.23 2fat s ALA 108 N -4.03 3.12 0.77 7.88 0.00 -1.26 -4.94 121.76 123.31 2fat s ALA 108 Ca 0.24 1.43 -0.15 0.00 0.00 0.00 0.00 51.96 53.48 2fat s ALA 108 Cb 0.01 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.57 2fat s ALA 108 CO 0.08 -1.24 0.90 -0.25 0.00 0.00 0.00 175.76 175.25 2fat n ASP 109 N -0.42 0.07 -3.66 0.00 9.92 -1.26 -4.80 116.55 116.40 2fat n ASP 109 Ca 0.07 0.59 -0.08 0.00 -0.53 0.00 0.00 54.79 54.84 2fat n ASP 109 Cb 0.43 -1.38 -0.09 0.00 -0.64 0.00 0.00 41.12 39.44 2fat n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2fat s ALA 110 N -1.99 -1.33 0.63 2.24 0.00 -1.16 -4.88 121.76 115.26 2fat s ALA 110 Ca 0.70 1.73 -0.16 0.00 0.00 0.00 0.00 51.96 54.23 2fat s ALA 110 Cb -0.32 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 2fat s ALA 110 CO 0.54 -0.62 1.12 0.00 0.00 0.00 0.00 175.76 176.79 2fat s ALA 111 N 2.26 2.54 0.53 0.00 0.00 -1.26 -1.27 121.76 124.55 2fat s ALA 111 Ca -0.05 0.63 -0.16 0.00 0.00 0.00 0.00 51.96 52.38 2fat s ALA 111 Cb -0.10 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 2fat s ALA 111 CO -0.14 -1.13 0.99 -1.25 0.00 0.00 0.00 175.76 174.23 2fat s PRO 112 N -3.86 3.88 -0.42 0.00 0.04 -1.26 -4.47 135.00 128.91 2fat s PRO 112 Ca 0.69 0.95 -0.14 0.00 0.04 0.00 0.00 61.00 62.53 2fat s PRO 112 Cb -0.21 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.23 2fat s PRO 112 CO 0.37 -0.33 0.31 0.99 0.04 0.00 0.00 177.00 178.38 2fat s THR 113 N -2.67 5.15 -0.14 1.26 2.01 -0.18 -4.87 115.64 116.20 2fat s THR 113 Ca 0.59 -0.77 -0.14 0.00 0.31 0.00 0.00 61.69 61.67 2fat s THR 113 Cb -0.10 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 2fat s THR 113 CO 0.34 -0.35 0.33 -0.69 -0.69 0.00 0.00 174.62 173.55 2fat s VAL 114 N 1.65 5.27 -0.04 3.82 1.01 -1.26 -1.56 120.40 129.30 2fat s VAL 114 Ca 0.04 0.63 0.02 0.00 0.00 0.00 0.00 61.98 62.67 2fat s VAL 114 Cb -0.20 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.53 2fat s VAL 114 CO 0.09 0.40 -0.06 -0.44 0.00 0.00 0.00 175.10 175.08 2fat s SER 115 N 0.33 1.02 -0.04 3.32 0.01 -0.65 -4.95 113.70 112.74 2fat s SER 115 Ca 0.19 -0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.35 2fat s SER 115 Cb -0.14 -0.40 -0.02 0.00 0.21 0.00 0.00 66.02 65.67 2fat s SER 115 CO 0.06 -0.00 -0.21 -0.51 0.41 0.00 0.00 173.24 172.99 2fat s ILE 116 N 0.59 2.52 -0.09 1.44 2.07 -1.26 -1.02 121.20 125.44 2fat s ILE 116 Ca -0.08 -0.93 0.02 0.00 -1.41 0.00 0.00 60.65 58.25 2fat s ILE 116 Cb -0.12 -1.93 0.01 0.00 0.13 0.00 0.00 42.46 40.55 2fat s ILE 116 CO 0.01 0.58 -0.14 -0.36 -1.91 0.00 0.00 174.94 173.12 2fat s PHE 117 N -0.62 1.77 0.85 3.50 0.40 0.13 -5.00 117.98 119.02 2fat s PHE 117 Ca 0.09 -0.77 -0.12 0.00 -0.60 0.00 0.00 56.93 55.54 2fat s PHE 117 Cb -0.11 -1.29 0.10 0.00 0.51 0.00 0.00 43.02 42.23 2fat s PHE 117 CO 0.00 -0.40 1.10 -2.14 0.70 0.00 0.00 175.22 174.48 2fat s PRO 118 N 0.88 1.65 0.47 0.24 0.02 -1.26 -2.04 135.00 134.97 2fat s PRO 118 Ca -0.09 0.59 -0.24 0.00 0.02 0.00 0.00 61.00 61.27 2fat s PRO 118 Cb -0.15 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.42 2fat s PRO 118 CO 0.01 -1.91 1.33 -1.25 -0.33 0.00 0.00 177.00 174.85 2fat s PRO 119 N -5.14 3.59 0.65 5.54 0.04 -1.20 -4.82 135.00 133.66 2fat s PRO 119 Ca 0.62 2.19 -0.15 0.00 0.04 0.00 0.00 61.00 63.70 2fat s PRO 119 Cb -0.15 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 2fat s PRO 119 CO 0.55 -0.81 1.09 -1.54 0.04 0.00 0.00 177.00 176.33 2fat s SER 120 N -0.85 5.26 0.21 6.66 1.04 -1.26 -4.90 113.70 119.87 2fat s SER 120 Ca 0.64 1.93 -0.09 0.00 0.48 0.00 0.00 55.95 58.90 2fat s SER 120 Cb -0.39 -2.54 0.15 0.00 0.10 0.00 0.00 66.02 63.34 2fat s SER 120 CO 0.48 -1.53 1.82 0.77 0.98 0.00 0.00 173.24 175.77 2fat h SER 121 N 0.04 0.98 -0.77 7.02 4.64 -1.99 -1.76 113.55 121.70 2fat h SER 121 Ca -0.46 -0.11 0.10 0.00 -0.47 0.00 0.00 61.79 60.85 2fat h SER 121 Cb 1.24 -0.25 -0.08 0.00 -0.31 0.00 0.00 62.40 63.00 2fat h SER 121 CO 0.55 0.81 0.40 -0.08 -0.87 0.00 0.00 176.83 177.64 2fat h GLU 122 N 1.08 0.64 -0.09 4.77 4.81 -1.99 0.75 114.58 124.53 2fat h GLU 122 Ca 0.27 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.30 2fat h GLU 122 Cb 0.06 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2fat h GLU 122 CO -0.04 0.42 -0.63 0.37 -0.73 0.00 0.00 179.01 178.40 2fat h GLN 123 N 0.65 0.35 -0.41 1.92 4.15 -1.77 -3.16 115.11 116.84 2fat h GLN 123 Ca 0.38 -0.25 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 2fat h GLN 123 Cb 0.42 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 2fat h GLN 123 CO -0.28 0.87 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.41 2fat h LEU 124 N 0.26 0.71 -0.96 -2.39 3.38 -0.36 -1.35 115.31 114.60 2fat h LEU 124 Ca -0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2fat h LEU 124 Cb 1.17 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2fat h LEU 124 CO 0.11 0.86 0.00 0.35 0.09 0.00 0.00 178.44 179.84 2fat n THR 125 N -4.42 1.01 0.92 0.22 -2.24 0.14 -0.75 114.28 109.16 2fat n THR 125 Ca -0.01 0.48 0.12 0.00 -2.27 0.00 0.00 64.05 62.37 2fat n THR 125 Cb 0.30 -1.44 0.11 0.00 -2.10 0.00 0.00 70.33 67.19 2fat n THR 125 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2fat n SER 126 N -2.16 3.00 0.00 3.42 3.41 -0.99 -4.97 113.62 115.33 2fat n SER 126 Ca 0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 2fat n SER 126 Cb 0.12 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2fat n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2fat n GLY 127 N 1.33 0.79 3.71 5.00 0.00 0.07 -5.08 105.19 111.01 2fat n GLY 127 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2fat n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fat s GLY 128 N -1.96 2.18 -0.26 -0.02 0.00 -0.55 -3.06 107.32 103.66 2fat s GLY 128 Ca 0.00 -2.01 -0.03 0.00 0.00 0.00 0.00 44.72 42.68 2fat s GLY 128 CO 0.00 -1.88 0.48 0.00 0.00 0.00 0.00 173.10 171.70 2fat s ALA 129 N -2.54 -1.60 -0.05 3.20 0.00 -0.66 -3.44 121.76 116.67 2fat s ALA 129 Ca 0.39 1.40 0.05 0.00 0.00 0.00 0.00 51.96 53.79 2fat s ALA 129 Cb 0.02 -1.84 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 2fat s ALA 129 CO 0.22 -1.23 -0.21 -1.12 0.00 0.00 0.00 175.76 173.42 2fat s SER 130 N 2.69 2.61 -0.15 0.00 0.01 -1.26 0.16 113.70 117.77 2fat s SER 130 Ca 0.14 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 2fat s SER 130 Cb -0.15 -0.77 -0.02 0.00 0.21 0.00 0.00 66.02 65.29 2fat s SER 130 CO -0.18 0.19 -0.07 -0.69 0.41 0.00 0.00 173.24 172.91 2fat s VAL 131 N -0.01 3.62 0.02 3.43 1.01 0.43 -3.28 120.40 125.63 2fat s VAL 131 Ca -0.05 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.56 2fat s VAL 131 Cb -0.13 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2fat s VAL 131 CO 0.03 0.51 -0.26 -0.69 0.00 0.00 0.00 175.10 174.69 2fat s VAL 132 N 0.34 2.06 -0.05 2.92 1.01 -0.87 -0.83 120.40 124.98 2fat s VAL 132 Ca -0.06 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 60.67 2fat s VAL 132 Cb -0.15 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.51 2fat s VAL 132 CO 0.04 0.43 -0.08 0.00 0.00 0.00 0.00 175.10 175.49 2fat s PHE 134 N 0.69 2.92 -0.46 0.00 0.08 -0.19 -0.35 117.98 120.67 2fat s PHE 134 Ca -0.11 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.60 2fat s PHE 134 Cb -0.14 -1.85 0.12 0.00 -0.57 0.00 0.00 43.02 40.58 2fat s PHE 134 CO 0.02 -0.01 0.23 -0.51 -0.10 0.00 0.00 175.22 174.85 2fat s LEU 135 N 0.06 4.93 0.08 -0.37 1.02 0.18 -1.64 118.68 122.93 2fat s LEU 135 Ca -0.02 -2.45 0.01 0.00 0.02 0.00 0.00 54.13 51.69 2fat s LEU 135 Cb -0.14 -1.74 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 2fat s LEU 135 CO 0.03 -0.40 0.17 0.20 0.02 0.00 0.00 176.35 176.38 2fat s ASN 136 N 0.90 6.07 -1.10 2.29 0.01 -0.60 -0.06 114.94 122.44 2fat s ASN 136 Ca 0.13 0.16 -0.24 0.00 -0.71 0.00 0.00 52.86 52.20 2fat s ASN 136 Cb -0.22 -1.79 0.03 0.00 0.41 0.00 0.00 41.25 39.68 2fat s ASN 136 CO -0.04 0.16 0.69 0.59 -1.51 0.00 0.00 177.10 176.98 2fat n ASN 137 N 0.26 -4.62 -4.52 -1.22 3.02 -0.82 -1.01 115.26 106.35 2fat n ASN 137 Ca -0.06 -1.15 -0.24 0.00 -0.03 0.00 0.00 54.58 53.09 2fat n ASN 137 Cb 0.52 -2.07 -0.09 0.00 -0.61 0.00 0.00 39.78 37.52 2fat n ASN 137 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2fat s PHE 138 N -3.38 2.42 -0.02 3.10 -0.12 -0.08 -4.60 117.98 115.30 2fat s PHE 138 Ca 0.37 -0.30 0.02 0.00 -0.05 0.00 0.00 56.93 56.97 2fat s PHE 138 Cb -0.19 -1.08 0.00 0.00 -0.63 0.00 0.00 43.02 41.12 2fat s PHE 138 CO 0.93 0.65 -0.06 -0.47 -0.05 0.00 0.00 175.22 176.22 2fat s TYR 139 N -2.29 0.68 0.00 3.49 5.04 -0.40 -0.62 117.35 123.25 2fat s TYR 139 Ca 0.29 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.77 2fat s TYR 139 Cb -0.06 -0.50 0.00 0.00 0.35 0.00 0.00 41.96 41.75 2fat s TYR 139 CO 0.16 -0.07 0.00 -2.30 -1.34 0.00 0.00 175.55 171.99 2fat n PRO 140 N 3.30 0.00 -0.56 4.97 -0.01 -1.26 -3.01 135.00 138.43 2fat n PRO 140 Ca -0.18 0.00 0.44 0.00 -0.01 0.00 0.00 63.50 63.75 2fat n PRO 140 Cb 0.55 0.00 0.70 0.00 -0.01 0.00 0.00 33.50 34.74 2fat n PRO 140 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 175.50 176.66 2fat n LYS 141 N 1.56 -0.01 -1.67 -0.52 3.00 -1.26 -4.47 118.16 114.78 2fat n LYS 141 Ca 0.00 1.06 -0.45 0.00 -0.00 0.00 0.00 58.31 58.92 2fat n LYS 141 Cb 0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 35.03 32.71 2fat n LYS 141 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2fat n ASP 142 N -4.09 3.80 -3.56 3.14 8.00 -1.26 -4.95 116.55 117.62 2fat n ASP 142 Ca 0.39 0.92 -0.15 0.00 0.71 0.00 0.00 54.79 56.66 2fat n ASP 142 Cb 1.68 -1.45 -0.06 0.00 -0.02 0.00 0.00 41.12 41.27 2fat n ASP 142 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2fat s ILE 143 N 4.36 0.00 -0.06 0.53 2.07 -1.26 -4.64 121.20 122.19 2fat s ILE 143 Ca 0.91 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 60.20 2fat s ILE 143 Cb -0.56 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.03 2fat s ILE 143 CO 0.47 0.00 -0.19 0.21 -1.91 0.00 0.00 174.94 173.51 2fat s ASN 144 N -0.73 2.49 -0.10 4.50 2.47 -1.05 -5.00 114.94 117.53 2fat s ASN 144 Ca -0.06 -0.42 0.00 0.00 0.42 0.00 0.00 52.86 52.80 2fat s ASN 144 Cb -0.02 -0.86 -0.02 0.00 -1.45 0.00 0.00 41.25 38.90 2fat s ASN 144 CO 0.06 0.15 -0.09 0.54 -3.72 0.00 0.00 177.10 174.04 2fat s VAL 145 N 0.17 3.46 -0.07 -5.21 0.11 -1.26 -1.55 120.40 116.05 2fat s VAL 145 Ca -0.09 -0.54 0.02 0.00 -2.93 0.00 0.00 61.98 58.44 2fat s VAL 145 Cb -0.14 -2.44 0.01 0.00 -1.53 0.00 0.00 36.38 32.28 2fat s VAL 145 CO 0.04 0.56 -0.13 -0.54 -3.33 0.00 0.00 175.10 171.70 2fat s LYS 146 N -0.26 1.76 -0.07 1.54 1.02 0.16 -4.98 119.74 118.92 2fat s LYS 146 Ca 0.03 -0.43 -0.04 0.00 0.02 0.00 0.00 55.97 55.55 2fat s LYS 146 Cb -0.13 -1.45 -0.04 0.00 -0.52 0.00 0.00 37.83 35.69 2fat s LYS 146 CO 0.03 0.03 0.12 -1.58 -0.92 0.00 0.00 175.35 173.02 2fat s TRP 147 N 0.68 3.46 -0.05 3.18 0.52 -1.26 -0.22 118.94 125.25 2fat s TRP 147 Ca -0.14 0.37 0.00 0.00 0.02 0.00 0.00 56.10 56.35 2fat s TRP 147 Cb -0.16 -1.85 0.03 0.00 -1.15 0.00 0.00 33.47 30.34 2fat s TRP 147 CO 0.04 0.64 -0.02 0.15 0.02 0.00 0.00 176.95 177.78 2fat s LYS 148 N -1.37 0.63 -0.20 4.98 1.02 -0.02 -1.44 119.74 123.35 2fat s LYS 148 Ca 0.19 0.01 -0.02 0.00 0.02 0.00 0.00 55.97 56.18 2fat s LYS 148 Cb -0.12 -0.81 0.00 0.00 -0.52 0.00 0.00 37.83 36.38 2fat s LYS 148 CO 0.09 -0.18 -0.09 0.42 -0.92 0.00 0.00 175.35 174.67 2fat s ILE 149 N 1.33 2.95 -1.58 2.17 1.01 0.76 -0.85 121.20 127.00 2fat s ILE 149 Ca -0.05 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 2fat s ILE 149 Cb -0.13 -2.31 0.09 0.00 0.01 0.00 0.00 42.46 40.11 2fat s ILE 149 CO -0.02 0.46 0.69 0.47 0.00 0.00 0.00 174.94 176.54 2fat n ASP 150 N 4.69 -2.47 0.00 3.58 8.00 -0.06 -1.10 116.55 129.18 2fat n ASP 150 Ca -0.19 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.33 2fat n ASP 150 Cb 0.51 -3.03 0.00 0.00 -0.02 0.00 0.00 41.12 38.58 2fat n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fat n GLY 151 N -1.65 2.64 3.76 0.44 0.00 -1.26 -5.01 105.19 104.12 2fat n GLY 151 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 2fat n GLY 151 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fat s SER 152 N 0.23 7.49 0.34 1.61 0.15 -0.26 -4.95 113.70 118.32 2fat s SER 152 Ca 0.00 1.77 -0.27 0.00 0.70 0.00 0.00 55.95 58.15 2fat s SER 152 Cb 0.00 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.67 2fat s SER 152 CO 0.00 0.14 1.06 -0.70 1.20 0.00 0.00 173.24 174.94 2fat s GLU 153 N -0.94 4.41 -0.08 5.44 2.12 -1.26 -0.17 118.70 128.21 2fat s GLU 153 Ca 0.39 1.62 0.04 0.00 0.36 0.00 0.00 54.97 57.39 2fat s GLU 153 Cb -0.24 -2.85 0.00 0.00 0.26 0.00 0.00 34.13 31.30 2fat s GLU 153 CO 0.29 0.05 -0.21 0.50 -0.54 0.00 0.00 175.26 175.35 2fat s ARG 154 N -1.98 2.56 -0.14 4.30 3.52 -0.52 -4.89 118.95 121.79 2fat s ARG 154 Ca 0.51 -0.75 0.16 0.00 -0.13 0.00 0.00 55.73 55.52 2fat s ARG 154 Cb -0.26 -2.01 -0.22 0.00 -1.56 0.00 0.00 34.95 30.90 2fat s ARG 154 CO 0.33 0.17 0.12 1.04 -0.81 0.00 0.00 175.30 176.15 2fat n GLN 155 N 3.49 1.12 -4.27 5.12 1.13 -1.26 -4.31 117.38 118.39 2fat n GLN 155 Ca -0.20 -0.04 -0.24 0.00 -1.94 0.00 0.00 57.00 54.59 2fat n GLN 155 Cb 0.53 -1.43 -0.07 0.00 0.11 0.00 0.00 30.24 29.37 2fat n GLN 155 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2fat s ASN 156 N -4.90 4.62 0.00 1.08 0.01 -1.26 -4.47 114.94 110.02 2fat s ASN 156 Ca -0.08 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 51.49 2fat s ASN 156 Cb 0.06 -0.90 0.00 0.00 0.41 0.00 0.00 41.25 40.82 2fat s ASN 156 CO 0.70 0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.92 2fat n GLY 157 N -0.73 0.73 3.41 0.66 0.00 -1.26 -4.93 105.19 103.06 2fat n GLY 157 Ca -0.07 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 2fat n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fat s VAL 158 N -2.00 4.12 -0.13 1.61 1.01 -1.26 -1.66 120.40 122.09 2fat s VAL 158 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2fat s VAL 158 Cb 0.00 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 2fat s VAL 158 CO 0.00 0.29 -0.14 -0.76 0.00 0.00 0.00 175.10 174.49 2fat s LEU 159 N 1.57 2.66 0.21 3.92 1.43 -0.31 -4.94 118.68 123.21 2fat s LEU 159 Ca 0.05 -0.36 0.10 0.00 -1.03 0.00 0.00 54.13 52.90 2fat s LEU 159 Cb -0.15 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2fat s LEU 159 CO 0.02 0.15 -0.13 0.20 0.23 0.00 0.00 176.35 176.82 2fat s ASN 160 N 0.42 4.01 -0.01 2.29 0.01 -1.26 -0.97 114.94 119.43 2fat s ASN 160 Ca -0.10 -0.71 -0.13 0.00 -0.71 0.00 0.00 52.86 51.21 2fat s ASN 160 Cb -0.16 -0.57 0.02 0.00 0.41 0.00 0.00 41.25 40.95 2fat s ASN 160 CO 0.05 0.09 0.27 -0.55 -1.51 0.00 0.00 177.10 175.45 2fat s SER 161 N -2.97 -0.13 0.05 -1.22 0.15 -0.79 -5.00 113.70 103.79 2fat s SER 161 Ca 0.25 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.93 2fat s SER 161 Cb -0.08 0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 64.49 2fat s SER 161 CO 0.14 -0.44 -0.09 0.26 1.20 0.00 0.00 173.24 174.31 2fat s TRP 162 N -1.42 0.80 0.32 3.44 0.51 -1.26 -1.49 118.94 119.84 2fat s TRP 162 Ca -0.13 -0.48 0.06 0.00 -2.12 0.00 0.00 56.10 53.43 2fat s TRP 162 Cb -0.06 -0.47 -0.01 0.00 -0.81 0.00 0.00 33.47 32.12 2fat s TRP 162 CO 0.03 -0.05 0.45 0.95 -0.51 0.00 0.00 176.95 177.82 2fat s THR 163 N -1.32 4.29 0.77 2.01 -4.23 -0.93 -5.02 115.64 111.20 2fat s THR 163 Ca -0.08 -1.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.38 2fat s THR 163 Cb -0.10 -3.49 0.13 0.00 1.34 0.00 0.00 72.50 70.38 2fat s THR 163 CO 0.01 -0.19 1.06 -1.81 -0.54 0.00 0.00 174.62 173.15 2fat s ASP 164 N -4.13 4.16 -0.09 3.99 1.01 -1.26 -4.35 116.67 116.00 2fat s ASP 164 Ca 0.43 -0.07 -0.35 0.00 0.71 0.00 0.00 52.55 53.26 2fat s ASP 164 Cb -0.09 -0.29 -0.13 0.00 1.01 0.00 0.00 42.92 43.42 2fat s ASP 164 CO 0.31 -2.00 1.80 0.00 0.21 0.00 0.00 175.17 175.49 2fat n GLN 165 N -3.05 1.94 -1.87 8.23 6.02 -1.26 -4.70 117.38 122.69 2fat n GLN 165 Ca 0.14 0.71 -0.42 0.00 -0.01 0.00 0.00 57.00 57.41 2fat n GLN 165 Cb 0.60 -2.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.33 2fat n GLN 165 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2fat s ASP 166 N 3.46 6.39 0.00 1.08 -1.08 0.06 -4.81 116.67 121.77 2fat s ASP 166 Ca 0.92 2.21 0.00 0.00 -0.52 0.00 0.00 52.55 55.16 2fat s ASP 166 Cb -0.77 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.16 2fat s ASP 166 CO 0.53 -1.16 0.46 -1.54 0.52 0.00 0.00 175.17 173.98 2fat n SER 167 N 8.08 0.00 -0.11 -0.34 3.41 -1.26 0.11 113.62 123.52 2fat n SER 167 Ca 0.20 0.05 -0.16 0.00 -0.26 0.00 0.00 58.87 58.70 2fat n SER 167 Cb 0.43 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.28 2fat n SER 167 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2fat n LYS 168 N -0.96 0.55 0.00 4.33 5.02 -1.26 -4.72 118.16 121.11 2fat n LYS 168 Ca 0.00 0.24 0.07 0.00 -2.02 0.00 0.00 58.31 56.60 2fat n LYS 168 Cb 0.01 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.58 2fat n LYS 168 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2fat n ASP 169 N -4.39 1.72 -1.60 4.39 5.68 -1.05 -4.99 116.55 116.30 2fat n ASP 169 Ca -0.28 -1.36 -0.17 0.00 -0.50 0.00 0.00 54.79 52.48 2fat n ASP 169 Cb 0.64 0.33 -0.04 0.00 -1.14 0.00 0.00 41.12 40.90 2fat n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2fat n SER 170 N 0.13 -5.03 -4.99 -1.12 7.64 0.30 -4.95 113.62 105.61 2fat n SER 170 Ca 0.07 0.22 -0.19 0.00 1.01 0.00 0.00 58.87 59.98 2fat n SER 170 Cb 0.32 -4.08 0.04 0.00 -1.01 0.00 0.00 64.21 59.49 2fat n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2fat s THR 171 N -2.73 2.55 0.28 0.44 -4.23 -1.26 -4.62 115.64 106.07 2fat s THR 171 Ca 0.00 -0.93 0.10 0.00 -1.18 0.00 0.00 61.69 59.68 2fat s THR 171 Cb 0.00 -2.63 -0.05 0.00 1.34 0.00 0.00 72.50 71.17 2fat s THR 171 CO 0.00 0.00 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.73 2fat s TYR 172 N -2.59 2.59 0.05 3.99 2.02 0.21 -0.76 117.35 122.85 2fat s TYR 172 Ca 0.59 -0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 57.01 2fat s TYR 172 Cb -0.08 -1.19 -0.04 0.00 -0.40 0.00 0.00 41.96 40.25 2fat s TYR 172 CO 0.37 0.62 -0.03 -1.12 -1.57 0.00 0.00 175.55 173.82 2fat s SER 173 N -3.65 0.50 -0.08 2.29 0.01 -1.26 -0.90 113.70 110.61 2fat s SER 173 Ca 0.32 -0.93 -0.16 0.00 1.31 0.00 0.00 55.95 56.49 2fat s SER 173 Cb -0.05 0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.39 2fat s SER 173 CO 0.19 -0.55 0.38 -0.32 0.41 0.00 0.00 173.24 173.35 2fat s MET 174 N -3.58 0.60 0.04 12.44 1.75 0.91 -2.18 119.30 129.29 2fat s MET 174 Ca 0.04 0.20 0.08 0.00 -1.25 0.00 0.00 55.69 54.76 2fat s MET 174 Cb 0.05 0.28 -0.03 0.00 2.84 0.00 0.00 34.83 37.98 2fat s MET 174 CO -0.08 -0.13 -0.24 -1.54 -0.65 0.00 0.00 175.02 172.37 2fat s SER 175 N -0.59 2.84 -0.06 1.11 1.04 -0.55 0.47 113.70 117.97 2fat s SER 175 Ca -0.07 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 55.82 2fat s SER 175 Cb -0.04 -0.25 0.02 0.00 0.10 0.00 0.00 66.02 65.85 2fat s SER 175 CO 0.03 0.22 -0.07 -0.55 0.98 0.00 0.00 173.24 173.85 2fat s SER 176 N -1.19 1.35 -0.10 7.02 0.15 0.53 -1.88 113.70 119.57 2fat s SER 176 Ca 0.10 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.58 2fat s SER 176 Cb -0.09 -0.60 0.01 0.00 -1.71 0.00 0.00 66.02 63.63 2fat s SER 176 CO 0.02 -0.04 -0.15 -0.89 1.20 0.00 0.00 173.24 173.37 2fat s THR 177 N 0.98 1.46 -0.28 6.45 2.01 -0.15 -0.57 115.64 125.54 2fat s THR 177 Ca -0.10 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 2fat s THR 177 Cb -0.14 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 2fat s THR 177 CO 0.00 0.43 0.14 -0.22 -0.69 0.00 0.00 174.62 174.28 2fat s LEU 178 N 0.84 3.86 -0.14 4.42 2.96 -0.01 -1.17 118.68 129.44 2fat s LEU 178 Ca -0.10 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2fat s LEU 178 Cb -0.15 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 2fat s LEU 178 CO 0.01 -0.09 0.01 -0.89 -1.32 0.00 0.00 176.35 174.07 2fat s THR 179 N 1.67 4.34 0.21 3.68 2.01 -0.67 -0.42 115.64 126.46 2fat s THR 179 Ca 0.06 -0.21 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 2fat s THR 179 Cb -0.16 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 2fat s THR 179 CO 0.07 0.52 0.25 -0.76 -0.69 0.00 0.00 174.62 174.01 2fat s LEU 180 N -0.01 0.88 0.55 4.42 1.43 0.12 -4.91 118.68 121.17 2fat s LEU 180 Ca 0.03 -1.21 -0.04 0.00 -1.03 0.00 0.00 54.13 51.88 2fat s LEU 180 Cb -0.13 0.87 0.00 0.00 0.03 0.00 0.00 46.19 46.97 2fat s LEU 180 CO 0.02 -0.94 0.84 0.42 0.23 0.00 0.00 176.35 176.92 2fat s THR 181 N -4.10 3.80 0.24 5.49 -4.23 -1.26 -1.66 115.64 113.92 2fat s THR 181 Ca 0.32 -0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 60.68 2fat s THR 181 Cb 0.04 -3.48 0.21 0.00 1.34 0.00 0.00 72.50 70.61 2fat s THR 181 CO 0.10 -0.45 1.73 0.50 -0.54 0.00 0.00 174.62 175.96 2fat h LYS 182 N -0.01 0.42 -0.31 3.99 3.64 -1.77 -2.05 116.57 120.47 2fat h LYS 182 Ca -0.46 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 2fat h LYS 182 Cb 1.25 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2fat h LYS 182 CO 0.60 0.28 0.06 -0.44 -2.27 0.00 0.00 179.45 177.68 2fat h ASP 183 N 0.44 0.49 -0.94 4.20 3.32 -1.93 0.43 116.42 122.43 2fat h ASP 183 Ca 0.40 -0.25 0.08 0.00 0.02 0.00 0.00 57.03 57.27 2fat h ASP 183 Cb 0.58 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.93 2fat h ASP 183 CO -0.39 0.61 0.59 -0.33 -1.72 0.00 0.00 179.24 178.00 2fat h GLU 184 N 0.34 1.01 -0.09 3.56 5.08 -1.80 -1.23 114.58 121.46 2fat h GLU 184 Ca 0.10 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 58.16 2fat h GLU 184 Cb 0.33 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.36 2fat h GLU 184 CO 0.00 0.67 -0.88 -0.92 -1.00 0.00 0.00 179.01 176.88 2fat h TYR 185 N 1.04 1.03 0.00 4.33 3.20 -1.21 -3.27 116.97 122.09 2fat h TYR 185 Ca 0.42 -0.50 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2fat h TYR 185 Cb 0.24 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.37 2fat h TYR 185 CO -0.02 1.33 0.00 0.93 -1.64 0.00 0.00 178.16 178.76 2fat h GLU 186 N 0.47 0.00 0.00 1.82 5.08 -0.35 -3.14 114.58 118.46 2fat h GLU 186 Ca -0.08 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 2fat h GLU 186 Cb 1.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.75 2fat h GLU 186 CO 0.18 0.00 -0.59 -0.09 -1.00 0.00 0.00 179.01 177.51 2fat h ARG 187 N 0.00 0.00 -6.15 2.33 2.43 -1.29 -3.45 114.38 108.25 2fat h ARG 187 Ca 0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 2fat h ARG 187 Cb 0.54 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.03 2fat h ARG 187 CO 0.00 0.59 -0.51 -1.01 -1.51 0.00 0.00 179.97 177.53 2fat s HIS 188 N -3.66 2.81 -0.11 2.20 3.76 -1.19 -5.08 115.29 114.03 2fat s HIS 188 Ca -0.01 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 54.54 2fat s HIS 188 Cb 0.13 -1.66 -0.05 0.00 1.11 0.00 0.00 32.58 32.10 2fat s HIS 188 CO 0.76 0.30 -0.13 -1.71 -0.85 0.00 0.00 174.74 173.12 2fat n ASN 189 N -1.23 1.51 -4.71 1.40 5.15 -1.26 -4.75 115.26 111.37 2fat n ASN 189 Ca -0.03 0.08 -0.37 0.00 -0.60 0.00 0.00 54.58 53.66 2fat n ASN 189 Cb 0.60 -0.27 -0.07 0.00 -0.53 0.00 0.00 39.78 39.51 2fat n ASN 189 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2fat s SER 190 N -5.68 6.46 -0.15 1.20 0.15 -1.26 0.63 113.70 115.04 2fat s SER 190 Ca -0.15 0.54 0.02 0.00 0.70 0.00 0.00 55.95 57.05 2fat s SER 190 Cb 0.05 -2.20 0.02 0.00 -1.71 0.00 0.00 66.02 62.17 2fat s SER 190 CO 0.20 0.05 -0.20 -0.31 1.20 0.00 0.00 173.24 174.18 2fat s TYR 191 N 0.70 2.59 -0.03 3.44 2.02 -0.46 -0.88 117.35 124.73 2fat s TYR 191 Ca 0.18 -1.40 0.03 0.00 -0.37 0.00 0.00 57.07 55.51 2fat s TYR 191 Cb -0.14 -1.79 -0.00 0.00 -0.40 0.00 0.00 41.96 39.63 2fat s TYR 191 CO 0.06 -0.67 -0.12 0.99 -1.57 0.00 0.00 175.55 174.23 2fat s THR 192 N 1.06 0.99 -0.23 -0.71 2.01 -0.03 -1.65 115.64 117.09 2fat s THR 192 Ca -0.02 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.48 2fat s THR 192 Cb -0.14 -0.86 0.02 0.00 0.01 0.00 0.00 72.50 71.52 2fat s THR 192 CO -0.07 0.30 -0.07 0.00 -0.69 0.00 0.00 174.62 174.09 2fat s GLU 194 N 1.36 3.34 -0.13 0.00 2.02 0.69 -1.80 118.70 124.19 2fat s GLU 194 Ca 0.02 -0.69 -0.01 0.00 0.02 0.00 0.00 54.97 54.31 2fat s GLU 194 Cb -0.15 -2.72 -0.02 0.00 0.10 0.00 0.00 34.13 31.33 2fat s GLU 194 CO -0.05 0.06 -0.08 0.00 0.02 0.00 0.00 175.26 175.21 2fat s ALA 195 N 0.75 2.86 -0.31 5.21 0.00 0.53 -0.67 121.76 130.13 2fat s ALA 195 Ca -0.05 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 2fat s ALA 195 Cb -0.15 -1.37 0.05 0.00 0.00 0.00 0.00 23.12 21.66 2fat s ALA 195 CO 0.01 0.30 0.02 0.99 0.00 0.00 0.00 175.76 177.09 2fat s THR 196 N 0.12 3.05 0.11 0.00 2.01 -0.60 0.17 115.64 120.52 2fat s THR 196 Ca -0.03 -1.43 0.08 0.00 0.31 0.00 0.00 61.69 60.62 2fat s THR 196 Cb -0.14 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 2fat s THR 196 CO 0.04 -0.16 -0.21 -2.28 -0.69 0.00 0.00 174.62 171.32 2fat s HIS 197 N 1.25 1.80 0.40 4.92 2.46 -1.26 -2.52 115.29 122.35 2fat s HIS 197 Ca -0.04 -0.43 0.11 0.00 0.47 0.00 0.00 55.06 55.18 2fat s HIS 197 Cb -0.20 -0.97 0.92 0.00 -0.13 0.00 0.00 32.58 32.20 2fat s HIS 197 CO -0.01 0.23 1.96 1.57 -2.47 0.00 0.00 174.74 176.02 2fat h LYS 198 N 3.92 0.52 0.00 2.88 2.10 -1.93 -0.75 116.57 123.31 2fat h LYS 198 Ca -0.46 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2fat h LYS 198 Cb 1.18 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2fat h LYS 198 CO 0.42 0.35 0.00 0.25 -2.00 0.00 0.00 179.45 178.46 2fat n THR 199 N -4.48 0.00 -3.71 0.07 -2.24 -1.26 -4.51 114.28 98.15 2fat n THR 199 Ca 0.11 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.78 2fat n THR 199 Cb 0.34 -0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 67.77 2fat n THR 199 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2fat s SER 200 N -1.91 -0.45 0.27 3.42 0.01 -0.29 -4.92 113.70 109.83 2fat s SER 200 Ca 0.05 0.80 0.14 0.00 1.31 0.00 0.00 55.95 58.26 2fat s SER 200 Cb 0.02 0.69 0.21 0.00 0.21 0.00 0.00 66.02 67.16 2fat s SER 200 CO 0.04 -0.18 1.51 0.00 0.41 0.00 0.00 173.24 175.02 2fat h THR 201 N 5.55 1.10 -3.35 1.44 1.03 -1.80 -3.41 112.91 113.48 2fat h THR 201 Ca -0.37 -2.27 -0.65 0.00 -0.01 0.00 0.00 66.41 63.12 2fat h THR 201 Cb 1.18 2.35 -0.21 0.00 -1.07 0.00 0.00 68.15 70.40 2fat h THR 201 CO 0.31 0.57 -0.67 -0.55 -0.01 0.00 0.00 175.52 175.17 2fat s SER 202 N -6.54 4.79 0.43 0.00 0.15 -1.26 -5.07 113.70 106.20 2fat s SER 202 Ca 0.02 -0.10 -0.26 0.00 0.70 0.00 0.00 55.95 56.31 2fat s SER 202 Cb 0.09 -1.68 -0.09 0.00 -1.71 0.00 0.00 66.02 62.64 2fat s SER 202 CO 0.74 0.21 1.40 -2.16 1.20 0.00 0.00 173.24 174.63 2fat s PRO 203 N 0.13 3.82 -0.17 5.44 0.04 -1.26 -4.88 135.00 138.11 2fat s PRO 203 Ca -0.01 2.36 -0.27 0.00 0.04 0.00 0.00 61.00 63.12 2fat s PRO 203 Cb -0.14 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 2fat s PRO 203 CO 0.03 -0.69 0.92 0.42 0.04 0.00 0.00 177.00 177.71 2fat s ILE 204 N -1.21 4.81 -0.07 0.56 1.01 0.13 -4.84 121.20 121.59 2fat s ILE 204 Ca 0.59 1.80 0.04 0.00 0.00 0.00 0.00 60.65 63.08 2fat s ILE 204 Cb -0.42 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 37.81 2fat s ILE 204 CO 0.55 -0.03 -0.17 -0.69 0.00 0.00 0.00 174.94 174.59 2fat s VAL 205 N 2.41 2.75 -0.01 2.92 1.01 -1.26 -0.35 120.40 127.88 2fat s VAL 205 Ca 0.41 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2fat s VAL 205 Cb -0.16 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.15 2fat s VAL 205 CO 0.12 0.57 -0.05 -0.54 0.00 0.00 0.00 175.10 175.20 2fat s LYS 206 N -0.36 0.47 0.27 2.72 -0.14 -0.75 -5.01 119.74 116.94 2fat s LYS 206 Ca 0.03 -0.15 -0.11 0.00 -1.36 0.00 0.00 55.97 54.38 2fat s LYS 206 Cb -0.12 -0.48 0.00 0.00 -1.68 0.00 0.00 37.83 35.55 2fat s LYS 206 CO 0.02 0.06 0.50 -1.12 -0.76 0.00 0.00 175.35 174.06 2fat s SER 207 N 0.13 0.09 0.08 2.83 0.01 -1.26 -0.59 113.70 114.99 2fat s SER 207 Ca -0.01 -1.04 -0.24 0.00 1.31 0.00 0.00 55.95 55.97 2fat s SER 207 Cb -0.05 0.62 0.06 0.00 0.21 0.00 0.00 66.02 66.86 2fat s SER 207 CO -0.00 -1.21 0.58 0.72 0.41 0.00 0.00 173.24 173.74 2fat s PHE 208 N -3.73 -0.51 -0.18 2.43 -0.71 -0.66 -5.00 117.98 109.62 2fat s PHE 208 Ca 0.23 0.51 -0.07 0.00 -1.04 0.00 0.00 56.93 56.56 2fat s PHE 208 Cb -0.01 0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 42.21 2fat s PHE 208 CO 0.11 -0.73 0.05 -0.80 -1.34 0.00 0.00 175.22 172.50 2fat s ASN 209 N -2.21 5.45 0.26 1.98 0.01 -1.26 -1.36 114.94 117.81 2fat s ASN 209 Ca -0.03 0.02 -0.06 0.00 -0.71 0.00 0.00 52.86 52.08 2fat s ASN 209 Cb -0.00 -1.93 0.48 0.00 0.41 0.00 0.00 41.25 40.21 2fat s ASN 209 CO -0.05 0.16 1.62 -0.09 -1.51 0.00 0.00 177.10 177.23 2fat h ARG 210 N 6.82 0.08 0.00 -0.60 2.43 -0.10 -2.90 114.38 120.11 2fat h ARG 210 Ca -0.36 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2fat h ARG 210 Cb 1.17 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2fat h ARG 210 CO 0.68 0.05 0.00 0.09 -1.51 0.00 0.00 179.97 179.28 2fat n ASN 211 N -5.38 0.00 0.00 -3.80 3.02 -1.26 -4.75 115.26 103.09 2fat n ASN 211 Ca 0.15 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2fat n ASN 211 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 2fat n ASN 211 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2fat n GLU 212 N -0.07 0.00 0.00 3.52 2.13 -1.21 -5.25 120.64 119.76 2fat n GLU 212 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2fat n GLU 212 Cb 0.00 -0.35 0.00 0.00 0.27 0.00 0.00 31.44 31.36 2fat n GLU 212 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72