#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fat s VAL 2 N 0.00 3.15 0.04 1.61 1.01 -1.26 -4.51 120.40 120.45 2fat s VAL 2 Ca 0.00 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2fat s VAL 2 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 2fat s VAL 2 CO 0.00 -0.02 -0.08 -0.75 0.00 0.00 0.00 175.10 174.25 2fat s LYS 3 N 3.71 0.51 -0.14 2.72 2.20 -0.47 -4.98 119.74 123.30 2fat s LYS 3 Ca 0.79 -0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 55.65 2fat s LYS 3 Cb -0.39 -0.27 0.04 0.00 -1.51 0.00 0.00 37.83 35.70 2fat s LYS 3 CO 0.35 0.04 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.84 2fat s LEU 4 N -1.57 1.26 -0.27 5.43 1.43 -1.26 -1.15 118.68 122.55 2fat s LEU 4 Ca -0.10 -0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 52.39 2fat s LEU 4 Cb -0.10 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 2fat s LEU 4 CO 0.00 -0.19 0.16 -1.58 0.23 0.00 0.00 176.35 174.97 2fat s GLN 5 N 1.75 3.86 0.18 1.70 2.00 0.18 -4.36 119.66 124.97 2fat s GLN 5 Ca 0.02 -0.37 0.02 0.00 -2.00 0.00 0.00 55.36 53.03 2fat s GLN 5 Cb -0.14 -3.59 -0.04 0.00 0.80 0.00 0.00 33.01 30.04 2fat s GLN 5 CO -0.07 -0.19 0.32 -0.65 -0.50 0.00 0.00 175.29 174.20 2fat s GLN 6 N 1.72 3.46 0.94 1.67 -0.21 -1.26 0.02 119.66 126.01 2fat s GLN 6 Ca 0.07 -0.57 -0.12 0.00 0.02 0.00 0.00 55.36 54.76 2fat s GLN 6 Cb -0.16 -2.93 0.16 0.00 1.00 0.00 0.00 33.01 31.08 2fat s GLN 6 CO 0.09 0.48 1.09 -1.54 -2.12 0.00 0.00 175.29 173.29 2fat s SER 7 N -3.34 3.02 1.14 5.90 1.04 -0.61 -4.98 113.70 115.86 2fat s SER 7 Ca 0.35 1.48 -0.18 0.00 0.48 0.00 0.00 55.95 58.08 2fat s SER 7 Cb -0.11 -2.15 0.26 0.00 0.10 0.00 0.00 66.02 64.12 2fat s SER 7 CO 0.29 -2.92 1.15 -0.83 0.98 0.00 0.00 173.24 171.90 2fat s GLY 8 N -3.29 1.62 0.41 7.32 0.00 -1.26 -4.64 107.32 107.48 2fat s GLY 8 Ca 0.64 -0.96 -0.27 0.00 0.00 0.00 0.00 44.72 44.13 2fat s GLY 8 CO 0.58 -0.12 1.47 -4.14 0.00 0.00 0.00 173.10 170.89 2fat s PRO 9 N -5.48 3.94 0.02 2.90 0.02 -1.26 -4.70 135.00 130.44 2fat s PRO 9 Ca 0.71 2.52 0.07 0.00 0.02 0.00 0.00 61.00 64.32 2fat s PRO 9 Cb -0.09 -2.85 -0.02 0.00 0.02 0.00 0.00 34.50 31.56 2fat s PRO 9 CO 0.55 -0.65 -0.21 -1.21 -0.33 0.00 0.00 177.00 175.16 2fat s GLU 10 N -2.24 1.50 -0.14 5.54 0.41 0.29 -4.99 118.70 119.07 2fat s GLU 10 Ca 0.56 -0.86 0.01 0.00 -0.41 0.00 0.00 54.97 54.26 2fat s GLU 10 Cb -0.46 -1.55 0.02 0.00 -1.78 0.00 0.00 34.13 30.37 2fat s GLU 10 CO 0.61 0.41 -0.15 0.08 -0.49 0.00 0.00 175.26 175.71 2fat s VAL 11 N -0.68 1.61 0.01 2.63 1.01 -1.26 -0.59 120.40 123.13 2fat s VAL 11 Ca 0.08 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.40 2fat s VAL 11 Cb -0.08 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 2fat s VAL 11 CO 0.01 0.47 -0.06 0.54 0.00 0.00 0.00 175.10 176.06 2fat s VAL 12 N 1.36 0.43 0.45 2.92 0.11 -0.24 -4.97 120.40 120.45 2fat s VAL 12 Ca 0.03 -0.39 -0.21 0.00 -2.93 0.00 0.00 61.98 58.48 2fat s VAL 12 Cb -0.13 -0.39 -0.10 0.00 -1.53 0.00 0.00 36.38 34.22 2fat s VAL 12 CO -0.09 0.01 0.97 -1.59 -3.33 0.00 0.00 175.10 171.08 2fat s LYS 13 N -0.41 4.11 0.35 1.54 0.00 -1.25 -1.55 119.74 122.52 2fat s LYS 13 Ca -0.00 1.17 -0.26 0.00 0.00 0.00 0.00 55.97 56.88 2fat s LYS 13 Cb -0.04 -2.16 -0.13 0.00 0.00 0.00 0.00 37.83 35.51 2fat s LYS 13 CO -0.00 -0.14 0.86 -2.30 0.00 0.00 0.00 175.35 173.77 2fat n PRO 14 N -0.77 1.06 0.00 1.78 -0.02 -1.26 -1.17 135.00 134.61 2fat n PRO 14 Ca 0.08 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2fat n PRO 14 Cb 0.54 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2fat n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fat n GLY 15 N 1.40 3.05 3.94 -1.23 0.00 0.71 -4.90 105.19 108.15 2fat n GLY 15 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2fat n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fat s ALA 16 N -1.61 2.34 0.17 4.61 0.00 -0.32 -4.07 121.76 122.88 2fat s ALA 16 Ca 0.00 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.72 2fat s ALA 16 Cb 0.00 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 2fat s ALA 16 CO 0.00 -2.41 -0.12 -1.12 0.00 0.00 0.00 175.76 172.11 2fat s SER 17 N -4.90 2.07 0.02 0.00 0.01 -1.26 -1.57 113.70 108.06 2fat s SER 17 Ca 0.74 -1.01 -0.08 0.00 1.31 0.00 0.00 55.95 56.91 2fat s SER 17 Cb -0.03 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2fat s SER 17 CO 0.53 -0.27 0.15 0.54 0.41 0.00 0.00 173.24 174.60 2fat s VAL 18 N -3.18 0.10 -0.16 3.43 0.11 -0.78 -5.01 120.40 114.91 2fat s VAL 18 Ca 0.18 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 2fat s VAL 18 Cb 0.01 -0.65 0.03 0.00 -1.53 0.00 0.00 36.38 34.25 2fat s VAL 18 CO 0.03 -0.45 -0.11 -0.75 -3.33 0.00 0.00 175.10 170.49 2fat s LYS 19 N -1.91 2.05 0.12 1.54 2.20 -1.26 -1.08 119.74 121.41 2fat s LYS 19 Ca -0.10 -0.62 0.01 0.00 -0.36 0.00 0.00 55.97 54.89 2fat s LYS 19 Cb -0.05 -2.16 -0.04 0.00 -1.51 0.00 0.00 37.83 34.08 2fat s LYS 19 CO -0.01 -0.32 0.27 0.42 -0.36 0.00 0.00 175.35 175.35 2fat s ILE 20 N 1.49 5.33 0.14 5.43 1.01 -0.24 -4.92 121.20 129.45 2fat s ILE 20 Ca 0.02 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.23 2fat s ILE 20 Cb -0.14 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2fat s ILE 20 CO -0.09 -0.00 -0.17 -0.94 0.00 0.00 0.00 174.94 173.74 2fat s SER 21 N -2.92 2.36 -0.22 3.58 1.04 -1.26 -0.83 113.70 115.46 2fat s SER 21 Ca 0.35 -0.82 -0.05 0.00 0.48 0.00 0.00 55.95 55.91 2fat s SER 21 Cb -0.12 -0.12 0.08 0.00 0.10 0.00 0.00 66.02 65.96 2fat s SER 21 CO 0.28 -0.08 0.11 0.00 0.98 0.00 0.00 173.24 174.53 2fat s LYS 23 N 2.13 4.15 -0.05 0.00 2.20 0.10 -0.75 119.74 127.52 2fat s LYS 23 Ca 0.05 -0.04 -0.06 0.00 -0.36 0.00 0.00 55.97 55.55 2fat s LYS 23 Cb -0.16 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 2fat s LYS 23 CO -0.20 0.33 0.20 0.00 -0.36 0.00 0.00 175.35 175.32 2fat s ALA 24 N 0.24 3.88 -0.01 3.13 0.00 -0.54 0.47 121.76 128.93 2fat s ALA 24 Ca 0.13 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.37 2fat s ALA 24 Cb -0.12 -2.00 0.01 0.00 0.00 0.00 0.00 23.12 21.00 2fat s ALA 24 CO 0.02 0.65 0.21 -1.54 0.00 0.00 0.00 175.76 175.10 2fat s SER 25 N -1.43 -0.08 0.00 0.00 1.04 -0.30 -4.85 113.70 108.09 2fat s SER 25 Ca 0.22 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.60 2fat s SER 25 Cb -0.13 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2fat s SER 25 CO 0.11 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2fat n GLY 26 N 1.48 0.80 3.64 7.32 0.00 -1.26 -1.36 105.19 115.80 2fat n GLY 26 Ca -0.22 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 2fat n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2fat s TYR 27 N -2.00 -0.24 -1.53 1.61 -0.85 -1.26 -4.63 117.35 108.44 2fat s TYR 27 Ca 0.00 0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.56 2fat s TYR 27 Cb 0.00 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.94 2fat s TYR 27 CO 0.00 -0.73 0.28 -1.13 -1.52 0.00 0.00 175.55 172.44 2fat n SER 28 N -0.38 0.17 0.00 -0.18 3.41 -1.26 -4.84 113.62 110.55 2fat n SER 28 Ca -0.08 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 2fat n SER 28 Cb 0.61 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2fat n SER 28 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2fat n PHE 29 N -0.11 0.00 0.68 7.33 7.35 -1.26 -2.87 117.46 128.58 2fat n PHE 29 Ca 0.00 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.75 2fat n PHE 29 Cb 0.04 0.00 0.34 0.00 0.35 0.00 0.00 39.48 40.21 2fat n PHE 29 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 2fat n THR 30 N 0.00 0.26 0.65 -2.13 -2.24 -1.26 -2.39 114.28 107.16 2fat n THR 30 Ca 0.00 0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 2fat n THR 30 Cb 0.00 -0.87 0.14 0.00 -2.10 0.00 0.00 70.33 67.50 2fat n THR 30 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2fat n ASN 31 N -1.10 0.64 -4.33 3.42 4.13 -1.14 -4.83 115.26 112.05 2fat n ASN 31 Ca 0.08 -0.04 -0.17 0.00 1.68 0.00 0.00 54.58 56.13 2fat n ASN 31 Cb 0.06 0.35 -0.10 0.00 -1.54 0.00 0.00 39.78 38.55 2fat n ASN 31 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2fat s PHE 32 N -3.15 1.58 0.37 3.10 0.40 -1.01 -5.07 117.98 114.21 2fat s PHE 32 Ca 0.06 -0.81 -0.08 0.00 -0.60 0.00 0.00 56.93 55.50 2fat s PHE 32 Cb 0.14 -0.87 -0.06 0.00 0.51 0.00 0.00 43.02 42.74 2fat s PHE 32 CO 0.74 0.08 0.70 0.71 0.70 0.00 0.00 175.22 178.15 2fat s TYR 33 N -3.28 3.48 -0.15 0.36 1.51 -1.26 -4.68 117.35 113.33 2fat s TYR 33 Ca 0.25 0.89 0.02 0.00 -1.01 0.00 0.00 57.07 57.22 2fat s TYR 33 Cb 0.04 -2.32 0.01 0.00 -0.11 0.00 0.00 41.96 39.59 2fat s TYR 33 CO 0.07 -0.03 -0.21 0.42 -1.11 0.00 0.00 175.55 174.70 2fat s ILE 34 N -2.31 2.13 0.18 2.71 -1.09 -0.88 -1.24 121.20 120.70 2fat s ILE 34 Ca 0.48 -0.95 0.06 0.00 -2.23 0.00 0.00 60.65 58.01 2fat s ILE 34 Cb -0.10 -1.86 -0.04 0.00 -1.58 0.00 0.00 42.46 38.87 2fat s ILE 34 CO 0.32 0.54 0.13 -1.00 -1.23 0.00 0.00 174.94 173.70 2fat s HIS 35 N 0.95 3.10 -0.02 3.97 3.76 0.18 -1.47 115.29 125.76 2fat s HIS 35 Ca -0.04 -0.05 0.07 0.00 -0.15 0.00 0.00 55.06 54.90 2fat s HIS 35 Cb -0.15 -1.48 -0.02 0.00 1.11 0.00 0.00 32.58 32.05 2fat s HIS 35 CO -0.05 0.52 -0.22 -1.58 -0.85 0.00 0.00 174.74 172.56 2fat s TRP 36 N -1.80 1.98 0.01 1.40 0.52 -0.36 -0.57 118.94 120.12 2fat s TRP 36 Ca 0.31 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 56.08 2fat s TRP 36 Cb -0.10 -1.28 -0.01 0.00 -1.15 0.00 0.00 33.47 30.94 2fat s TRP 36 CO 0.23 -0.04 -0.09 0.08 0.02 0.00 0.00 176.95 177.16 2fat s VAL 37 N -0.51 0.67 -0.00 4.03 1.01 0.41 -0.81 120.40 125.21 2fat s VAL 37 Ca 0.08 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.61 2fat s VAL 37 Cb -0.09 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2fat s VAL 37 CO -0.01 0.09 -0.15 -0.75 0.00 0.00 0.00 175.10 174.28 2fat s LYS 38 N -0.47 2.32 -0.21 2.72 2.20 0.76 -0.51 119.74 126.55 2fat s LYS 38 Ca 0.01 -0.83 -0.04 0.00 -0.36 0.00 0.00 55.97 54.75 2fat s LYS 38 Cb -0.04 -2.31 0.08 0.00 -1.51 0.00 0.00 37.83 34.05 2fat s LYS 38 CO -0.00 0.58 0.13 -1.14 -0.36 0.00 0.00 175.35 174.56 2fat s GLN 39 N -1.15 0.12 0.70 4.03 0.74 -0.50 -0.73 119.66 122.88 2fat s GLN 39 Ca 0.14 -0.13 -0.12 0.00 0.05 0.00 0.00 55.36 55.30 2fat s GLN 39 Cb -0.11 -1.53 0.02 0.00 1.10 0.00 0.00 33.01 32.49 2fat s GLN 39 CO 0.04 -0.76 1.07 1.03 -0.55 0.00 0.00 175.29 176.12 2fat s ARG 40 N 2.17 2.78 -0.28 1.67 0.52 -1.26 -1.44 118.95 123.11 2fat s ARG 40 Ca 0.05 1.09 -0.39 0.00 -0.52 0.00 0.00 55.73 55.96 2fat s ARG 40 Cb -0.16 -1.96 -0.15 0.00 0.52 0.00 0.00 34.95 33.20 2fat s ARG 40 CO -0.17 -1.23 1.85 -2.30 0.02 0.00 0.00 175.30 173.47 2fat n PRO 41 N -3.03 1.20 -1.19 3.54 -0.02 -1.26 -1.18 135.00 133.06 2fat n PRO 41 Ca 0.08 0.43 -0.07 0.00 -2.02 0.00 0.00 63.50 61.92 2fat n PRO 41 Cb 0.53 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 2fat n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fat n GLY 42 N 4.72 0.78 1.93 -1.23 0.00 -1.26 -5.00 105.19 105.14 2fat n GLY 42 Ca 0.30 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 2fat n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2fat n GLN 43 N -1.46 1.28 -0.09 1.61 6.02 -0.32 -5.16 117.38 119.25 2fat n GLN 43 Ca -0.07 -1.91 0.00 0.00 -0.01 0.00 0.00 57.00 55.02 2fat n GLN 43 Cb 0.38 0.43 0.00 0.00 1.02 0.00 0.00 30.24 32.08 2fat n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2fat n GLY 44 N 1.74 -0.61 3.88 1.08 0.00 -1.26 -4.66 105.19 105.35 2fat n GLY 44 Ca -0.08 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 2fat n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fat s LEU 45 N 0.00 4.37 -0.04 0.99 1.43 -1.26 -4.18 118.68 119.99 2fat s LEU 45 Ca 0.00 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 2fat s LEU 45 Cb 0.00 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.49 2fat s LEU 45 CO 0.00 0.24 -0.09 -1.61 0.23 0.00 0.00 176.35 175.12 2fat s GLU 46 N -1.76 1.13 -0.01 1.70 2.02 0.09 -4.97 118.70 116.90 2fat s GLU 46 Ca 0.28 -0.30 -0.25 0.00 0.02 0.00 0.00 54.97 54.73 2fat s GLU 46 Cb -0.13 -1.03 -0.04 0.00 0.10 0.00 0.00 34.13 33.03 2fat s GLU 46 CO 0.16 0.06 0.76 -0.46 0.02 0.00 0.00 175.26 175.80 2fat s TRP 47 N 0.45 3.66 -0.26 1.61 -0.00 -1.26 -0.17 118.94 122.96 2fat s TRP 47 Ca -0.08 1.40 -0.11 0.00 -0.00 0.00 0.00 56.10 57.31 2fat s TRP 47 Cb -0.12 -2.85 -0.15 0.00 -0.00 0.00 0.00 33.47 30.36 2fat s TRP 47 CO 0.01 0.16 -0.23 -0.89 -0.00 0.00 0.00 176.95 176.01 2fat n ILE 48 N 3.36 1.53 0.00 5.86 5.41 0.01 -4.58 119.36 130.95 2fat n ILE 48 Ca -0.01 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.34 2fat n ILE 48 Cb 0.51 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 2fat n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2fat n GLY 49 N 1.53 -0.64 3.22 7.39 0.00 -1.22 -0.12 105.19 115.35 2fat n GLY 49 Ca -0.49 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 2fat n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2fat s TRP 50 N -2.00 1.11 -0.01 1.61 1.48 0.27 -1.22 118.94 120.18 2fat s TRP 50 Ca 0.00 -0.99 0.01 0.00 -1.06 0.00 0.00 56.10 54.06 2fat s TRP 50 Cb 0.00 -0.63 0.00 0.00 -1.16 0.00 0.00 33.47 31.68 2fat s TRP 50 CO 0.00 -0.20 -0.04 -1.50 -4.06 0.00 0.00 176.95 171.15 2fat s ILE 51 N -3.66 0.33 -0.70 0.66 2.07 -0.54 -1.78 121.20 117.58 2fat s ILE 51 Ca 0.20 -0.15 0.05 0.00 -1.41 0.00 0.00 60.65 59.34 2fat s ILE 51 Cb 0.06 -0.30 0.17 0.00 0.13 0.00 0.00 42.46 42.52 2fat s ILE 51 CO 0.01 0.11 0.50 0.33 -1.91 0.00 0.00 174.94 173.98 2fat n PHE 52 N 3.14 3.22 -2.68 3.50 7.35 -0.65 -2.07 117.46 129.26 2fat n PHE 52 Ca -0.15 -4.30 -0.08 0.00 -0.76 0.00 0.00 57.45 52.16 2fat n PHE 52 Cb 0.57 -0.62 0.00 0.00 0.35 0.00 0.00 39.48 39.79 2fat n PHE 52 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 2fat n HIS 52 N 1.94 -0.62 -3.15 -5.13 8.25 -1.26 -4.78 115.22 110.47 2fat n HIS 52 Ca 0.20 0.26 0.06 0.00 -0.26 0.00 0.00 57.72 57.98 2fat n HIS 52 Cb 0.35 -0.74 -0.02 0.00 1.12 0.00 0.00 29.99 30.70 2fat n HIS 52 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2fat s GLY 53 N -1.96 -0.21 0.64 -1.41 0.00 -1.26 -5.00 107.32 98.11 2fat s GLY 53 Ca 0.02 2.99 0.04 0.00 0.00 0.00 0.00 44.72 47.77 2fat s GLY 53 CO 0.26 3.98 1.09 1.76 0.00 0.00 0.00 173.10 180.20 2fat h SER 54 N 7.89 0.00 -1.00 1.64 0.02 -1.90 -0.71 113.55 119.49 2fat h SER 54 Ca -0.10 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.49 2fat h SER 54 Cb 1.18 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.40 2fat h SER 54 CO -0.21 0.00 -0.93 -0.67 -1.14 0.00 0.00 176.83 173.88 2fat n ASP 55 N -2.50 0.06 -3.37 3.07 -0.08 -1.26 -4.47 116.55 108.00 2fat n ASP 55 Ca -0.00 -2.93 -0.26 0.00 -1.51 0.00 0.00 54.79 50.08 2fat n ASP 55 Cb 0.91 0.10 -0.08 0.00 2.34 0.00 0.00 41.12 44.39 2fat n ASP 55 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2fat n ASN 56 N 0.03 3.03 -4.58 1.67 4.05 -0.27 -5.05 115.26 114.14 2fat n ASN 56 Ca 0.12 -3.29 -0.27 0.00 0.45 0.00 0.00 54.58 51.59 2fat n ASN 56 Cb 0.75 -0.66 -0.11 0.00 1.23 0.00 0.00 39.78 40.99 2fat n ASN 56 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2fat s THR 57 N -2.23 1.86 -0.12 -0.44 -4.23 -1.26 -1.64 115.64 107.58 2fat s THR 57 Ca 0.39 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 58.80 2fat s THR 57 Cb 0.16 -2.94 0.04 0.00 1.34 0.00 0.00 72.50 71.10 2fat s THR 57 CO -0.03 -0.02 0.30 -0.70 -0.54 0.00 0.00 174.62 173.63 2fat s GLU 58 N -3.74 0.32 0.17 3.99 2.56 -0.73 -4.99 118.70 116.28 2fat s GLU 58 Ca 0.35 0.49 0.06 0.00 0.00 0.00 0.00 54.97 55.87 2fat s GLU 58 Cb 0.09 0.08 -0.04 0.00 2.00 0.00 0.00 34.13 36.26 2fat s GLU 58 CO 0.17 -0.08 -0.14 0.71 -0.56 0.00 0.00 175.26 175.37 2fat s TYR 59 N 0.55 1.52 0.00 5.30 2.02 -1.26 -0.56 117.35 124.92 2fat s TYR 59 Ca -0.03 -0.61 -0.30 0.00 -0.37 0.00 0.00 57.07 55.76 2fat s TYR 59 Cb -0.05 -0.75 -0.04 0.00 -0.40 0.00 0.00 41.96 40.73 2fat s TYR 59 CO -0.03 0.23 1.14 1.21 -1.57 0.00 0.00 175.55 176.53 2fat s ASN 60 N -3.00 7.15 0.30 2.29 3.84 0.83 -4.90 114.94 121.44 2fat s ASN 60 Ca 0.17 1.85 0.03 0.00 0.21 0.00 0.00 52.86 55.12 2fat s ASN 60 Cb -0.01 -2.57 0.76 0.00 -0.55 0.00 0.00 41.25 38.88 2fat s ASN 60 CO 0.04 -0.45 1.62 -0.33 -2.79 0.00 0.00 177.10 175.19 2fat h GLU 61 N 7.01 0.13 -0.70 0.43 4.39 -1.94 0.24 114.58 124.14 2fat h GLU 61 Ca -0.39 -0.01 0.20 0.00 0.34 0.00 0.00 59.36 59.50 2fat h GLU 61 Cb 1.20 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 2fat h GLU 61 CO 0.82 0.08 0.50 -0.22 -1.16 0.00 0.00 179.01 179.03 2fat h LYS 62 N 0.13 0.05 -0.07 2.33 3.64 -1.95 -2.29 116.57 118.40 2fat h LYS 62 Ca 0.58 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 2fat h LYS 62 Cb 1.22 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2fat h LYS 62 CO -0.74 0.03 0.00 1.19 -2.27 0.00 0.00 179.45 177.66 2fat n PHE 63 N -4.35 0.06 -2.38 1.91 3.72 0.83 -4.82 117.46 112.44 2fat n PHE 63 Ca 0.14 -0.03 -0.39 0.00 -0.05 0.00 0.00 57.45 57.11 2fat n PHE 63 Cb 0.74 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.25 2fat n PHE 63 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2fat s LYS 64 N -1.94 4.41 0.00 -1.08 1.02 -0.86 -1.40 119.74 119.88 2fat s LYS 64 Ca 0.30 1.85 0.00 0.00 0.02 0.00 0.00 55.97 58.14 2fat s LYS 64 Cb 0.20 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 2fat s LYS 64 CO 0.30 -0.01 0.00 -0.40 -0.92 0.00 0.00 175.35 174.32 2fat n ASP 65 N 0.73 -1.01 0.00 2.83 5.75 -1.26 -4.77 116.55 118.82 2fat n ASP 65 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 2fat n ASP 65 Cb 0.45 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 2fat n ASP 65 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2fat n LYS 66 N -2.34 0.00 -4.89 0.11 3.00 -0.88 -4.99 118.16 108.17 2fat n LYS 66 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 2fat n LYS 66 Cb 0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 35.03 34.50 2fat n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2fat s ALA 67 N -1.76 2.53 -0.14 3.14 0.00 -0.50 -4.02 121.76 121.01 2fat s ALA 67 Ca 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 2fat s ALA 67 Cb 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.36 2fat s ALA 67 CO 0.00 0.56 -0.06 0.99 0.00 0.00 0.00 175.76 177.25 2fat s THR 68 N -0.78 1.00 -0.13 0.00 2.01 -0.13 -4.73 115.64 112.88 2fat s THR 68 Ca 0.12 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 2fat s THR 68 Cb -0.10 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 2fat s THR 68 CO 0.02 0.23 0.24 -0.76 -0.69 0.00 0.00 174.62 173.66 2fat s LEU 69 N 1.70 4.31 0.15 4.42 1.43 -1.26 -1.51 118.68 127.92 2fat s LEU 69 Ca 0.03 0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.63 2fat s LEU 69 Cb -0.14 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 2fat s LEU 69 CO -0.08 0.23 0.07 0.42 0.23 0.00 0.00 176.35 177.22 2fat s THR 70 N -0.18 0.16 -0.01 5.49 -4.23 -0.81 -4.69 115.64 111.37 2fat s THR 70 Ca 0.15 -1.94 -0.07 0.00 -1.18 0.00 0.00 61.69 58.66 2fat s THR 70 Cb -0.13 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.55 2fat s THR 70 CO 0.04 -0.36 0.14 0.00 -0.54 0.00 0.00 174.62 173.90 2fat s ALA 71 N -4.02 -0.33 -0.37 3.99 0.00 -1.26 -0.40 121.76 119.37 2fat s ALA 71 Ca 0.28 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.24 2fat s ALA 71 Cb 0.07 0.04 0.11 0.00 0.00 0.00 0.00 23.12 23.34 2fat s ALA 71 CO 0.04 -0.18 0.10 0.34 0.00 0.00 0.00 175.76 176.07 2fat s ASP 72 N -1.09 4.51 0.53 0.00 -1.08 0.55 -4.61 116.67 115.49 2fat s ASP 72 Ca -0.12 -2.25 0.26 0.00 -0.52 0.00 0.00 52.55 49.92 2fat s ASP 72 Cb -0.06 -1.48 1.49 0.00 -1.46 0.00 0.00 42.92 41.41 2fat s ASP 72 CO 0.01 -0.35 2.11 0.71 0.52 0.00 0.00 175.17 178.17 2fat h THR 73 N 6.32 0.64 0.00 1.71 1.35 -1.95 0.26 112.91 121.23 2fat h THR 73 Ca -0.06 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2fat h THR 73 Cb 0.99 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2fat h THR 73 CO 0.54 0.09 0.00 0.28 -0.25 0.00 0.00 175.52 176.18 2fat h SER 74 N 0.00 0.00 0.00 5.36 0.02 -1.96 -3.01 113.55 113.96 2fat h SER 74 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2fat h SER 74 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2fat h SER 74 CO 0.01 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.16 2fat n SER 75 N -2.56 0.45 -3.67 3.07 3.41 -0.81 -5.02 113.62 108.49 2fat n SER 75 Ca 0.01 -1.03 -0.21 0.00 -0.26 0.00 0.00 58.87 57.38 2fat n SER 75 Cb 0.20 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.19 2fat n SER 75 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2fat n SER 76 N -0.01 -1.45 -4.23 4.04 3.41 0.82 -4.71 113.62 111.49 2fat n SER 76 Ca 0.00 -0.79 -0.30 0.00 -0.26 0.00 0.00 58.87 57.52 2fat n SER 76 Cb 0.16 -4.19 -0.16 0.00 -0.26 0.00 0.00 64.21 59.75 2fat n SER 76 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2fat s THR 77 N -3.62 1.87 -0.07 6.66 2.01 -0.72 -1.47 115.64 120.30 2fat s THR 77 Ca 0.03 -0.96 -0.02 0.00 0.31 0.00 0.00 61.69 61.05 2fat s THR 77 Cb -0.02 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 2fat s THR 77 CO 0.80 0.52 0.05 0.00 -0.69 0.00 0.00 174.62 175.31 2fat s ALA 78 N -0.10 3.49 0.11 7.40 0.00 0.08 -0.33 121.76 132.41 2fat s ALA 78 Ca -0.04 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.21 2fat s ALA 78 Cb -0.13 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 2fat s ALA 78 CO 0.03 0.63 -0.19 0.71 0.00 0.00 0.00 175.76 176.93 2fat s TYR 79 N -1.01 1.71 -0.15 0.00 1.51 0.47 -0.59 117.35 119.29 2fat s TYR 79 Ca 0.16 -0.44 -0.03 0.00 -1.01 0.00 0.00 57.07 55.76 2fat s TYR 79 Cb -0.12 -0.92 0.05 0.00 -0.11 0.00 0.00 41.96 40.86 2fat s TYR 79 CO 0.06 0.20 0.03 1.41 -1.11 0.00 0.00 175.55 176.15 2fat s MET 80 N -2.06 0.53 -0.22 -0.62 1.75 -0.01 -1.92 119.30 116.75 2fat s MET 80 Ca 0.07 -0.19 -0.12 0.00 -1.25 0.00 0.00 55.69 54.20 2fat s MET 80 Cb -0.09 -1.69 -0.05 0.00 2.84 0.00 0.00 34.83 35.85 2fat s MET 80 CO 0.04 -0.54 0.21 -1.14 -0.65 0.00 0.00 175.02 172.95 2fat s GLN 81 N 1.94 4.12 0.40 4.11 0.74 -0.57 -1.08 119.66 129.33 2fat s GLN 81 Ca 0.01 -0.15 0.08 0.00 0.05 0.00 0.00 55.36 55.35 2fat s GLN 81 Cb -0.15 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.40 2fat s GLN 81 CO -0.07 0.09 0.24 -0.51 -0.55 0.00 0.00 175.29 174.49 2fat s LEU 82 N 0.96 3.23 0.00 3.68 1.43 -0.24 -0.96 118.68 126.78 2fat s LEU 82 Ca 0.10 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 2fat s LEU 82 Cb -0.13 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2fat s LEU 82 CO 0.04 -0.54 0.00 -1.20 0.23 0.00 0.00 176.35 174.88 2fat n SER 82 N -1.32 0.00 -4.76 2.29 7.64 -1.09 -1.87 113.62 114.50 2fat n SER 82 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 2fat n SER 82 Cb 0.63 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.84 2fat n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2fat s LEU 82 N -0.12 3.96 0.32 -3.43 1.43 -0.61 -4.60 118.68 115.63 2fat s LEU 82 Ca 0.00 2.45 0.03 0.00 -1.03 0.00 0.00 54.13 55.57 2fat s LEU 82 Cb 0.00 -4.26 -0.05 0.00 0.03 0.00 0.00 46.19 41.91 2fat s LEU 82 CO 0.00 -1.13 0.10 0.42 0.23 0.00 0.00 176.35 175.97 2fat s THR 83 N -1.47 0.78 0.61 5.49 -4.23 -1.26 -0.21 115.64 115.34 2fat s THR 83 Ca 0.66 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.49 2fat s THR 83 Cb -0.32 -2.62 0.37 0.00 1.34 0.00 0.00 72.50 71.27 2fat s THR 83 CO 0.39 0.00 2.24 0.77 -0.54 0.00 0.00 174.62 177.48 2fat h SER 84 N 2.13 0.00 0.62 3.99 4.64 -1.97 0.00 113.55 122.96 2fat h SER 84 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2fat h SER 84 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2fat h SER 84 CO 0.62 0.00 0.00 1.21 -0.87 0.00 0.00 176.83 177.79 2fat n GLU 85 N -3.68 0.16 0.00 4.77 2.13 -1.26 -1.97 120.64 120.79 2fat n GLU 85 Ca -0.02 0.42 0.13 0.00 0.66 0.00 0.00 57.16 58.35 2fat n GLU 85 Cb 0.13 -1.82 0.38 0.00 0.27 0.00 0.00 31.44 30.40 2fat n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2fat n ASP 86 N -2.12 1.28 -4.68 4.31 8.00 -0.01 -4.86 116.55 118.47 2fat n ASP 86 Ca 0.02 -1.12 -0.42 0.00 0.71 0.00 0.00 54.79 53.97 2fat n ASP 86 Cb 0.20 0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 2fat n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2fat s SER 87 N -2.36 6.84 -0.06 -2.24 0.01 -0.83 -4.87 113.70 110.19 2fat s SER 87 Ca 0.27 2.07 -0.30 0.00 1.31 0.00 0.00 55.95 59.30 2fat s SER 87 Cb 0.20 -2.55 0.10 0.00 0.21 0.00 0.00 66.02 63.98 2fat s SER 87 CO 0.47 -0.75 1.35 0.00 0.41 0.00 0.00 173.24 174.72 2fat s ALA 88 N 2.73 -2.64 -0.14 1.44 0.00 -0.74 -4.41 121.76 118.01 2fat s ALA 88 Ca 0.64 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.75 2fat s ALA 88 Cb -0.30 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 2fat s ALA 88 CO 0.25 -1.16 0.07 0.08 0.00 0.00 0.00 175.76 175.00 2fat s VAL 89 N -2.03 4.86 -0.13 0.00 1.01 -0.52 -0.72 120.40 122.87 2fat s VAL 89 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2fat s VAL 89 Cb 0.01 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 2fat s VAL 89 CO -0.03 0.54 -0.14 -0.31 0.00 0.00 0.00 175.10 175.16 2fat s TYR 90 N -0.33 2.78 0.11 5.22 2.02 0.60 -1.40 117.35 126.35 2fat s TYR 90 Ca 0.09 -0.78 0.07 0.00 -0.37 0.00 0.00 57.07 56.08 2fat s TYR 90 Cb -0.12 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 2fat s TYR 90 CO 0.02 -0.30 -0.08 -0.06 -1.57 0.00 0.00 175.55 173.55 2fat s PHE 91 N 0.48 2.77 0.17 2.71 0.08 0.34 -0.25 117.98 124.28 2fat s PHE 91 Ca -0.10 -0.14 0.09 0.00 0.12 0.00 0.00 56.93 56.90 2fat s PHE 91 Cb -0.16 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.81 2fat s PHE 91 CO 0.05 0.44 -0.14 0.00 -0.10 0.00 0.00 175.22 175.47 2fat s ALA 93 N -1.60 -0.88 -0.02 0.00 0.00 0.27 -0.52 121.76 119.01 2fat s ALA 93 Ca 0.23 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 2fat s ALA 93 Cb -0.09 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 2fat s ALA 93 CO 0.13 -0.31 0.33 0.50 0.00 0.00 0.00 175.76 176.41 2fat s ARG 94 N -1.58 3.76 -0.66 0.00 3.52 -0.33 0.48 118.95 124.14 2fat s ARG 94 Ca -0.11 0.23 -0.21 0.00 -0.13 0.00 0.00 55.73 55.50 2fat s ARG 94 Cb -0.04 -3.18 0.09 0.00 -1.56 0.00 0.00 34.95 30.26 2fat s ARG 94 CO 0.03 0.70 0.89 -0.46 -0.81 0.00 0.00 175.30 175.65 2fat s TRP 95 N -1.11 2.82 1.09 5.12 -0.00 -0.37 -1.96 118.94 124.53 2fat s TRP 95 Ca 0.23 -0.77 -0.18 0.00 -0.00 0.00 0.00 56.10 55.37 2fat s TRP 95 Cb -0.15 -4.20 0.28 0.00 -0.00 0.00 0.00 33.47 29.40 2fat s TRP 95 CO 0.12 -1.52 0.73 0.41 -0.00 0.00 0.00 176.95 176.69 2fat n GLY 96 N 5.32 -3.55 0.25 5.86 0.00 -0.40 -4.00 105.19 108.66 2fat n GLY 96 Ca -0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 46.02 44.62 2fat n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fat h PRO 97 N 0.00 0.50 -0.03 1.61 0.13 -1.95 -2.15 132.00 130.11 2fat h PRO 97 Ca -0.31 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2fat h PRO 97 Cb 1.02 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2fat h PRO 97 CO 0.19 0.68 0.00 0.72 -0.23 0.00 0.00 178.00 179.36 2fat n HIS 98 N -4.15 0.04 -3.30 1.56 8.25 -1.26 -4.90 115.22 111.46 2fat n HIS 98 Ca 0.00 -0.02 -0.16 0.00 -0.26 0.00 0.00 57.72 57.28 2fat n HIS 98 Cb 0.37 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.56 2fat n HIS 98 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 2fat n TRP 99 N -0.48 -2.40 -3.61 4.41 7.02 -0.81 -5.05 117.44 116.52 2fat n TRP 99 Ca 0.05 0.87 -0.12 0.00 -1.02 0.00 0.00 57.50 57.28 2fat n TRP 99 Cb 0.05 -4.33 -0.05 0.00 -2.42 0.00 0.00 31.31 24.56 2fat n TRP 99 CO 0.00 0.00 0.00 1.52 -2.02 0.00 0.00 177.69 177.19 2fat s TYR 100 N -3.39 -0.31 -0.91 -5.99 1.13 -1.26 -4.94 117.35 101.69 2fat s TYR 100 Ca 0.36 0.17 -0.25 0.00 -1.41 0.00 0.00 57.07 55.94 2fat s TYR 100 Cb -0.05 0.30 -0.07 0.00 -1.10 0.00 0.00 41.96 41.04 2fat s TYR 100 CO 0.74 -0.67 2.05 -0.06 -2.51 0.00 0.00 175.55 175.10 2fat s PHE 100 N -3.10 1.66 0.00 -3.49 0.40 -1.26 -1.28 117.98 110.92 2fat s PHE 100 Ca -0.01 0.95 0.11 0.00 -0.60 0.00 0.00 56.93 57.37 2fat s PHE 100 Cb 0.00 -3.89 -0.14 0.00 0.51 0.00 0.00 43.02 39.50 2fat s PHE 100 CO -0.07 -1.64 1.18 0.38 0.70 0.00 0.00 175.22 175.77 2fat h ASP 101 N 11.46 0.00 -3.55 1.36 2.03 -1.76 -3.46 116.42 122.50 2fat h ASP 101 Ca 0.08 0.00 -0.44 0.00 -0.73 0.00 0.00 57.03 55.94 2fat h ASP 101 Cb 1.00 0.00 -0.33 0.00 -0.83 0.00 0.00 39.33 39.17 2fat h ASP 101 CO 1.16 0.84 -0.79 0.54 -1.03 0.00 0.00 179.24 179.96 2fat s VAL 102 N -2.77 0.77 0.13 4.15 0.11 -1.26 -5.00 120.40 116.53 2fat s VAL 102 Ca 0.00 -0.29 0.10 0.00 -2.93 0.00 0.00 61.98 58.87 2fat s VAL 102 Cb 0.09 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 2fat s VAL 102 CO 0.80 0.26 -0.24 0.26 -3.33 0.00 0.00 175.10 172.85 2fat s TRP 103 N 0.62 2.37 0.83 1.54 0.52 -1.26 -1.18 118.94 122.38 2fat s TRP 103 Ca -0.10 -0.35 -0.12 0.00 0.02 0.00 0.00 56.10 55.55 2fat s TRP 103 Cb -0.13 -1.27 0.09 0.00 -1.15 0.00 0.00 33.47 31.01 2fat s TRP 103 CO 0.01 0.36 1.14 0.20 0.02 0.00 0.00 176.95 178.69 2fat s GLY 104 N -2.12 1.59 0.15 0.98 0.00 0.33 -4.68 107.32 103.57 2fat s GLY 104 Ca 0.15 -0.51 0.25 0.00 0.00 0.00 0.00 44.72 44.62 2fat s GLY 104 CO 0.07 -0.02 1.78 0.61 0.00 0.00 0.00 173.10 175.54 2fat n GLN 105 N -3.46 0.17 0.00 2.90 0.00 -1.26 -4.71 117.38 111.02 2fat n GLN 105 Ca 0.07 0.20 0.00 0.00 0.00 0.00 0.00 57.00 57.27 2fat n GLN 105 Cb 0.59 -1.72 0.00 0.00 0.00 0.00 0.00 30.24 29.11 2fat n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2fat n GLY 106 N 1.03 1.35 3.16 2.61 0.00 -1.26 -5.02 105.19 107.06 2fat n GLY 106 Ca 0.05 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 2fat n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fat s THR 107 N -1.52 2.10 -0.02 2.61 2.01 0.65 -4.88 115.64 116.59 2fat s THR 107 Ca 0.00 -0.96 -0.24 0.00 0.31 0.00 0.00 61.69 60.81 2fat s THR 107 Cb 0.00 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 2fat s THR 107 CO 0.00 0.54 0.72 -0.89 -0.69 0.00 0.00 174.62 174.30 2fat s THR 108 N 0.93 4.92 -0.11 -0.82 2.01 -1.26 -0.29 115.64 121.01 2fat s THR 108 Ca -0.04 1.50 0.03 0.00 0.31 0.00 0.00 61.69 63.48 2fat s THR 108 Cb -0.15 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.31 2fat s THR 108 CO -0.04 0.31 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.30 2fat s VAL 109 N 0.38 1.86 -0.19 3.82 1.01 0.10 -0.55 120.40 126.84 2fat s VAL 109 Ca 0.37 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2fat s VAL 109 Cb -0.19 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.56 2fat s VAL 109 CO 0.20 0.51 -0.17 -0.89 0.00 0.00 0.00 175.10 174.75 2fat s THR 110 N 0.68 2.24 -0.40 3.92 2.01 0.24 -1.79 115.64 122.55 2fat s THR 110 Ca -0.12 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 60.81 2fat s THR 110 Cb -0.16 -1.98 0.02 0.00 0.01 0.00 0.00 72.50 70.38 2fat s THR 110 CO 0.02 0.48 0.31 -0.69 -0.69 0.00 0.00 174.62 174.05 2fat s VAL 111 N 1.30 5.25 -0.04 3.82 1.01 -1.26 -1.08 120.40 129.40 2fat s VAL 111 Ca 0.04 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 2fat s VAL 111 Cb -0.14 -3.91 0.08 0.00 0.00 0.00 0.00 36.38 32.41 2fat s VAL 111 CO -0.11 -0.28 0.74 -0.55 0.00 0.00 0.00 175.10 174.90 2fat s SER 112 N 1.70 -0.57 0.00 3.32 0.15 -0.59 -4.60 113.70 113.10 2fat s SER 112 Ca 0.06 0.51 0.23 0.00 0.70 0.00 0.00 55.95 57.44 2fat s SER 112 Cb -0.19 0.49 0.49 0.00 -1.71 0.00 0.00 66.02 65.11 2fat s SER 112 CO 0.10 -0.61 1.43 -1.54 1.20 0.00 0.00 173.24 173.82 2fat n SER 113 N 0.61 3.24 -4.73 5.45 3.41 -1.26 -3.90 113.62 116.44 2fat n SER 113 Ca -0.16 -1.96 -0.35 0.00 -0.26 0.00 0.00 58.87 56.13 2fat n SER 113 Cb 0.59 -0.26 0.08 0.00 -0.26 0.00 0.00 64.21 64.35 2fat n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fat s ALA 114 N -1.48 2.25 0.16 7.33 0.00 -1.26 -5.01 121.76 123.75 2fat s ALA 114 Ca 0.39 0.98 -0.04 0.00 0.00 0.00 0.00 51.96 53.29 2fat s ALA 114 Cb 0.22 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 2fat s ALA 114 CO 0.31 -1.69 0.39 0.15 0.00 0.00 0.00 175.76 174.92 2fat s LYS 115 N -3.69 3.61 0.08 0.00 1.02 -1.26 -5.02 119.74 114.49 2fat s LYS 115 Ca 0.77 -0.10 -0.30 0.00 0.02 0.00 0.00 55.97 56.35 2fat s LYS 115 Cb -0.31 -2.83 -0.10 0.00 -0.52 0.00 0.00 37.83 34.07 2fat s LYS 115 CO 0.42 0.44 1.90 0.99 -0.92 0.00 0.00 175.35 178.17 2fat s THR 116 N -1.72 2.78 -0.03 2.17 2.01 -1.26 -4.63 115.64 114.97 2fat s THR 116 Ca 0.41 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.45 2fat s THR 116 Cb -0.12 -3.03 0.03 0.00 0.01 0.00 0.00 72.50 69.39 2fat s THR 116 CO 0.25 -0.00 0.01 -0.89 -0.69 0.00 0.00 174.62 173.31 2fat s THR 117 N 3.61 0.07 0.56 -0.82 2.01 0.58 -4.95 115.64 116.71 2fat s THR 117 Ca 0.85 0.15 -0.16 0.00 0.31 0.00 0.00 61.69 62.83 2fat s THR 117 Cb -0.44 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 2fat s THR 117 CO 0.39 0.12 1.04 -2.16 -0.69 0.00 0.00 174.62 173.32 2fat s PRO 118 N 1.07 3.53 0.57 4.92 0.04 -1.26 -1.16 135.00 142.70 2fat s PRO 118 Ca -0.09 1.15 -0.14 0.00 0.04 0.00 0.00 61.00 61.95 2fat s PRO 118 Cb -0.13 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 2fat s PRO 118 CO -0.02 -0.64 1.01 -1.25 0.04 0.00 0.00 177.00 176.14 2fat s PRO 119 N -4.01 3.69 -0.23 0.56 0.04 -1.26 -4.48 135.00 129.31 2fat s PRO 119 Ca 0.63 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 62.49 2fat s PRO 119 Cb -0.14 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2fat s PRO 119 CO 0.34 -0.49 0.17 -1.12 0.04 0.00 0.00 177.00 175.94 2fat s SER 120 N -3.41 6.16 -0.23 6.66 0.01 0.17 -4.90 113.70 118.16 2fat s SER 120 Ca 0.58 0.17 -0.05 0.00 1.31 0.00 0.00 55.95 57.96 2fat s SER 120 Cb -0.11 -2.11 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 2fat s SER 120 CO 0.40 0.09 -0.00 -0.69 0.41 0.00 0.00 173.24 173.45 2fat s VAL 121 N 0.87 3.71 -0.08 3.43 1.01 -1.26 -1.07 120.40 127.01 2fat s VAL 121 Ca 0.08 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.72 2fat s VAL 121 Cb -0.13 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 2fat s VAL 121 CO 0.03 0.40 -0.20 -0.31 0.00 0.00 0.00 175.10 175.01 2fat s TYR 122 N 1.50 2.60 0.34 5.22 2.02 0.54 -4.96 117.35 124.60 2fat s TYR 122 Ca 0.06 -0.67 -0.26 0.00 -0.37 0.00 0.00 57.07 55.83 2fat s TYR 122 Cb -0.15 -1.68 -0.10 0.00 -0.40 0.00 0.00 41.96 39.63 2fat s TYR 122 CO -0.01 -0.19 0.98 -1.25 -1.57 0.00 0.00 175.55 173.52 2fat s PRO 123 N -0.04 4.49 -0.28 -1.71 0.04 -1.26 -0.41 135.00 135.84 2fat s PRO 123 Ca -0.06 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.43 2fat s PRO 123 Cb -0.15 -2.79 0.06 0.00 0.04 0.00 0.00 34.50 31.67 2fat s PRO 123 CO 0.05 0.18 -0.06 -0.51 0.04 0.00 0.00 177.00 176.69 2fat s LEU 124 N -2.11 3.70 -0.11 -3.56 1.43 0.48 -4.89 118.68 113.61 2fat s LEU 124 Ca 0.51 -1.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.14 2fat s LEU 124 Cb -0.21 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2fat s LEU 124 CO 0.27 -0.23 -0.00 0.00 0.23 0.00 0.00 176.35 176.62 2fat s ALA 125 N 1.12 3.24 0.00 4.21 0.00 -1.26 -0.80 121.76 128.27 2fat s ALA 125 Ca -0.06 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2fat s ALA 125 Cb -0.20 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.39 2fat s ALA 125 CO -0.04 0.47 0.00 -0.35 0.00 0.00 0.00 175.76 175.84 2fat n PRO 126 N 2.55 0.00 0.00 0.00 -0.04 -1.26 -4.70 135.00 131.55 2fat n PRO 126 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2fat n PRO 126 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 2fat n PRO 126 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fat n GLY 127 N 5.00 0.05 0.25 0.55 0.00 -1.26 -5.01 105.19 104.77 2fat n GLY 127 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2fat n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2fat n ASN 128 N -0.63 0.00 -0.09 1.61 4.05 -1.26 -5.12 115.26 113.83 2fat n ASN 128 Ca 0.00 0.00 -0.18 0.00 0.45 0.00 0.00 54.58 54.85 2fat n ASN 128 Cb 0.00 0.02 -0.06 0.00 1.23 0.00 0.00 39.78 40.96 2fat n ASN 128 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 2fat n SER 129 N -1.19 1.43 -4.37 1.20 2.88 -1.26 -4.71 113.62 107.60 2fat n SER 129 Ca 0.00 0.17 -0.33 0.00 -1.33 0.00 0.00 58.87 57.38 2fat n SER 129 Cb 0.00 -0.48 -0.14 0.00 -0.75 0.00 0.00 64.21 62.84 2fat n SER 129 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2fat s MET 130 N -2.32 3.23 0.03 -1.46 -1.94 -1.26 -0.68 119.30 114.90 2fat s MET 130 Ca -0.24 -0.71 0.04 0.00 -1.71 0.00 0.00 55.69 53.08 2fat s MET 130 Cb 0.09 -2.56 -0.04 0.00 2.01 0.00 0.00 34.83 34.33 2fat s MET 130 CO 0.31 0.27 -0.06 0.54 -0.01 0.00 0.00 175.02 176.07 2fat s VAL 131 N 0.20 3.67 -0.15 -6.03 0.11 0.38 -4.79 120.40 113.79 2fat s VAL 131 Ca -0.09 -0.89 -0.02 0.00 -2.93 0.00 0.00 61.98 58.06 2fat s VAL 131 Cb -0.15 -2.64 -0.02 0.00 -1.53 0.00 0.00 36.38 32.04 2fat s VAL 131 CO 0.05 0.30 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.15 2fat s THR 132 N -1.08 3.38 0.35 5.04 2.01 -1.26 -0.80 115.64 123.27 2fat s THR 132 Ca 0.19 -0.54 0.09 0.00 0.31 0.00 0.00 61.69 61.75 2fat s THR 132 Cb -0.11 -2.45 -0.06 0.00 0.01 0.00 0.00 72.50 69.88 2fat s THR 132 CO 0.10 0.50 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.70 2fat s LEU 133 N 0.45 2.78 0.29 4.42 1.43 0.05 -4.40 118.68 123.70 2fat s LEU 133 Ca -0.07 -1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 51.82 2fat s LEU 133 Cb -0.15 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 2fat s LEU 133 CO 0.04 -0.22 0.38 -0.83 0.23 0.00 0.00 176.35 175.95 2fat s GLY 134 N -3.63 1.33 -0.08 -3.19 0.00 0.02 -1.35 107.32 100.41 2fat s GLY 134 Ca 0.33 -1.46 -0.03 0.00 0.00 0.00 0.00 44.72 43.56 2fat s GLY 134 CO 0.17 -1.04 0.16 0.00 0.00 0.00 0.00 173.10 172.38 2fat s LEU 136 N 2.23 3.91 -0.41 0.00 2.96 0.46 -1.36 118.68 126.46 2fat s LEU 136 Ca 0.02 0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 2fat s LEU 136 Cb -0.12 -2.05 0.11 0.00 0.50 0.00 0.00 46.19 44.63 2fat s LEU 136 CO -0.06 0.04 0.19 -0.69 -1.32 0.00 0.00 176.35 174.51 2fat s VAL 137 N 1.19 3.09 0.04 1.68 1.01 -0.04 -0.34 120.40 127.03 2fat s VAL 137 Ca 0.06 -2.20 0.06 0.00 0.00 0.00 0.00 61.98 59.90 2fat s VAL 137 Cb -0.14 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2fat s VAL 137 CO 0.05 -0.69 -0.15 -0.75 0.00 0.00 0.00 175.10 173.57 2fat s LYS 138 N 0.98 2.18 -1.03 2.72 2.20 -0.23 -0.61 119.74 125.96 2fat s LYS 138 Ca 0.10 -0.93 -0.01 0.00 -0.36 0.00 0.00 55.97 54.76 2fat s LYS 138 Cb -0.22 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.83 2fat s LYS 138 CO -0.05 0.55 0.87 0.41 -0.36 0.00 0.00 175.35 176.77 2fat n GLY 139 N 1.45 -0.24 3.64 5.54 0.00 -0.44 -0.66 105.19 114.48 2fat n GLY 139 Ca -0.16 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 2fat n GLY 139 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2fat s TYR 140 N -3.29 2.58 -0.28 1.61 -0.85 -0.63 -4.52 117.35 111.96 2fat s TYR 140 Ca 0.10 -0.39 -0.21 0.00 -0.52 0.00 0.00 57.07 56.04 2fat s TYR 140 Cb -0.04 -1.44 0.10 0.00 0.38 0.00 0.00 41.96 40.96 2fat s TYR 140 CO 0.61 0.49 0.86 0.12 -1.52 0.00 0.00 175.55 176.11 2fat s PHE 141 N -2.48 -0.71 0.11 -3.49 5.36 -0.31 -0.46 117.98 116.00 2fat s PHE 141 Ca 0.34 1.58 0.01 0.00 -0.96 0.00 0.00 56.93 57.91 2fat s PHE 141 Cb -0.02 0.39 0.02 0.00 -0.34 0.00 0.00 43.02 43.08 2fat s PHE 141 CO 0.20 -0.35 0.15 -0.35 -1.46 0.00 0.00 175.22 173.41 2fat n PRO 142 N 3.09 0.83 -1.55 10.12 -0.04 -1.26 -0.31 135.00 145.88 2fat n PRO 142 Ca -0.16 -0.53 -0.31 0.00 -0.04 0.00 0.00 63.50 62.46 2fat n PRO 142 Cb 0.57 -0.06 0.06 0.00 -0.04 0.00 0.00 33.50 34.02 2fat n PRO 142 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2fat s GLU 143 N -2.56 2.75 0.29 0.54 0.41 -1.26 -4.78 118.70 114.09 2fat s GLU 143 Ca 0.11 1.10 0.02 0.00 -0.41 0.00 0.00 54.97 55.79 2fat s GLU 143 Cb -0.01 -1.96 0.02 0.00 -1.78 0.00 0.00 34.13 30.40 2fat s GLU 143 CO 0.07 -1.25 0.13 -0.35 -0.49 0.00 0.00 175.26 173.37 2fat n PRO 144 N -3.05 1.16 -4.29 0.39 -0.04 -1.26 -4.96 135.00 122.96 2fat n PRO 144 Ca 0.08 -1.92 -0.17 0.00 -0.04 0.00 0.00 63.50 61.46 2fat n PRO 144 Cb 0.53 0.33 -0.10 0.00 -0.04 0.00 0.00 33.50 34.22 2fat n PRO 144 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2fat s VAL 145 N -1.67 1.45 -0.13 0.52 -7.23 -1.26 -4.45 120.40 107.63 2fat s VAL 145 Ca 0.10 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.27 2fat s VAL 145 Cb -0.01 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 35.10 2fat s VAL 145 CO 0.06 -0.59 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.15 2fat s THR 146 N -2.84 2.04 -0.10 5.32 2.01 -0.46 -4.97 115.64 116.64 2fat s THR 146 Ca 0.17 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.22 2fat s THR 146 Cb -0.01 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 2fat s THR 146 CO 0.04 0.55 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.62 2fat s VAL 147 N 0.69 2.39 0.15 3.82 1.01 -1.26 -0.89 120.40 126.30 2fat s VAL 147 Ca -0.10 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.00 2fat s VAL 147 Cb -0.16 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2fat s VAL 147 CO 0.01 0.55 -0.07 0.42 0.00 0.00 0.00 175.10 176.02 2fat s THR 148 N 0.20 0.95 -0.10 3.92 -4.23 -0.34 -4.98 115.64 111.05 2fat s THR 148 Ca -0.12 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.41 2fat s THR 148 Cb -0.16 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.79 2fat s THR 148 CO 0.07 -0.70 -0.22 0.26 -0.54 0.00 0.00 174.62 173.49 2fat s TRP 149 N -3.47 2.42 -1.46 3.99 0.52 -1.26 -0.36 118.94 119.32 2fat s TRP 149 Ca 0.18 -1.03 -0.08 0.00 0.02 0.00 0.00 56.10 55.19 2fat s TRP 149 Cb 0.04 -1.64 0.05 0.00 -1.15 0.00 0.00 33.47 30.78 2fat s TRP 149 CO 0.00 -0.43 0.80 0.09 0.02 0.00 0.00 176.95 177.43 2fat n ASN 150 N 3.67 -2.90 -1.80 2.95 4.13 0.44 -0.23 115.26 121.52 2fat n ASN 150 Ca -0.20 -0.84 -0.15 0.00 1.68 0.00 0.00 54.58 55.07 2fat n ASN 150 Cb 0.53 -3.73 -0.04 0.00 -1.54 0.00 0.00 39.78 35.00 2fat n ASN 150 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2fat n SER 151 N -2.91 -4.25 0.00 6.41 7.64 -1.26 -1.09 113.62 118.16 2fat n SER 151 Ca -0.11 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2fat n SER 151 Cb 0.59 -3.77 0.00 0.00 -1.01 0.00 0.00 64.21 60.02 2fat n SER 151 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fat n GLY 152 N -0.50 0.48 0.24 0.23 0.00 0.68 -4.95 105.19 101.37 2fat n GLY 152 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 2fat n GLY 152 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2fat h SER 153 N 0.00 0.36 -3.59 1.61 0.02 -0.86 -3.37 113.55 107.72 2fat h SER 153 Ca 0.00 -0.09 -0.71 0.00 -0.84 0.00 0.00 61.79 60.15 2fat h SER 153 Cb 0.00 -0.10 -0.25 0.00 0.14 0.00 0.00 62.40 62.19 2fat h SER 153 CO 0.00 0.55 -0.52 -0.76 -1.14 0.00 0.00 176.83 174.96 2fat s LEU 154 N -8.74 4.70 0.00 5.07 1.43 -1.13 -4.86 118.68 115.15 2fat s LEU 154 Ca -0.06 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 2fat s LEU 154 Cb 0.15 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.36 2fat s LEU 154 CO 0.76 -0.39 0.00 -1.54 0.23 0.00 0.00 176.35 175.41 2fat n SER 155 N 4.98 4.02 -4.78 2.29 3.41 -1.26 -4.28 113.62 118.00 2fat n SER 155 Ca -0.12 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.13 2fat n SER 155 Cb 0.46 0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.51 2fat n SER 155 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2fat s SER 156 N -3.60 6.91 0.00 4.04 0.01 -1.26 -3.10 113.70 116.70 2fat s SER 156 Ca 0.00 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.25 2fat s SER 156 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2fat s SER 156 CO 0.00 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2fat n GLY 157 N 0.37 0.79 3.78 3.44 0.00 -1.26 -4.73 105.19 107.58 2fat n GLY 157 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.16 5.28 -0.14 1.61 1.01 -1.18 -1.38 120.40 122.45 2fat s VAL 158 Ca 0.00 0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.52 2fat s VAL 158 Cb 0.00 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.81 2fat s VAL 158 CO 0.00 0.48 -0.06 -1.00 0.00 0.00 0.00 175.10 174.52 2fat s HIS 159 N -0.21 1.57 -0.22 5.22 3.76 0.67 -4.98 115.29 121.09 2fat s HIS 159 Ca 0.18 -0.89 -0.03 0.00 -0.15 0.00 0.00 55.06 54.17 2fat s HIS 159 Cb -0.14 -1.27 0.00 0.00 1.11 0.00 0.00 32.58 32.29 2fat s HIS 159 CO 0.06 -0.56 -0.07 0.99 -0.85 0.00 0.00 174.74 174.31 2fat s THR 160 N 1.68 3.08 0.43 1.30 2.01 -1.26 0.18 115.64 123.05 2fat s THR 160 Ca 0.03 -0.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.13 2fat s THR 160 Cb -0.14 -2.43 -0.11 0.00 0.01 0.00 0.00 72.50 69.83 2fat s THR 160 CO -0.08 0.38 0.96 -0.36 -0.69 0.00 0.00 174.62 174.82 2fat s PHE 161 N 1.42 3.30 0.51 4.92 0.08 -0.67 -5.02 117.98 122.51 2fat s PHE 161 Ca 0.04 1.61 -0.22 0.00 0.12 0.00 0.00 56.93 58.47 2fat s PHE 161 Cb -0.15 -2.86 -0.06 0.00 -0.57 0.00 0.00 43.02 39.38 2fat s PHE 161 CO -0.05 -0.15 1.29 -2.14 -0.10 0.00 0.00 175.22 174.07 2fat s PRO 162 N -3.20 3.41 0.57 0.24 0.02 -1.26 -4.42 135.00 130.36 2fat s PRO 162 Ca 0.62 2.07 -0.17 0.00 0.02 0.00 0.00 61.00 63.55 2fat s PRO 162 Cb -0.09 -2.34 -0.05 0.00 0.02 0.00 0.00 34.50 32.04 2fat s PRO 162 CO 0.14 -0.92 1.06 0.00 -0.33 0.00 0.00 177.00 176.95 2fat s ALA 163 N -1.38 2.74 0.12 -1.55 0.00 -1.26 -4.82 121.76 115.61 2fat s ALA 163 Ca 0.68 0.49 0.10 0.00 0.00 0.00 0.00 51.96 53.23 2fat s ALA 163 Cb -0.36 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2fat s ALA 163 CO 0.43 -0.73 -0.25 0.14 0.00 0.00 0.00 175.76 175.35 2fat s VAL 164 N -2.28 2.40 -0.24 0.00 -7.23 -0.22 -4.91 120.40 107.92 2fat s VAL 164 Ca 0.65 -1.66 -0.08 0.00 -1.81 0.00 0.00 61.98 59.09 2fat s VAL 164 Cb -0.17 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 2fat s VAL 164 CO 0.33 0.12 0.08 -0.22 -0.31 0.00 0.00 175.10 175.10 2fat s LEU 165 N -2.00 3.59 -0.06 1.32 2.96 -1.26 -1.24 118.68 121.98 2fat s LEU 165 Ca 0.15 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2fat s LEU 165 Cb -0.10 -1.96 0.04 0.00 0.50 0.00 0.00 46.19 44.67 2fat s LEU 165 CO 0.07 0.01 0.14 -1.10 -1.32 0.00 0.00 176.35 174.14 2fat s GLN 166 N 1.38 0.08 -1.40 1.98 -1.52 0.00 -4.80 119.66 115.38 2fat s GLN 166 Ca 0.05 0.37 0.00 0.00 -1.95 0.00 0.00 55.36 53.83 2fat s GLN 166 Cb -0.15 -0.19 0.00 0.00 -0.22 0.00 0.00 33.01 32.45 2fat s GLN 166 CO 0.04 -0.18 0.00 -1.13 -0.25 0.00 0.00 175.29 173.78 2fat n SER 167 N 4.28 -4.84 0.00 5.90 3.41 -1.26 -2.01 113.62 119.10 2fat n SER 167 Ca -0.25 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 2fat n SER 167 Cb 0.51 -3.95 0.00 0.00 -0.26 0.00 0.00 64.21 60.52 2fat n SER 167 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2fat n ASP 168 N -1.10 -3.73 -4.41 4.04 8.00 -1.26 -5.01 116.55 113.09 2fat n ASP 168 Ca -0.19 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.05 2fat n ASP 168 Cb 0.64 -1.71 -0.12 0.00 -0.02 0.00 0.00 41.12 39.91 2fat n ASP 168 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2fat s LEU 169 N 0.00 2.43 0.19 0.64 1.43 -0.85 -4.88 118.68 117.64 2fat s LEU 169 Ca 0.00 -0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 52.18 2fat s LEU 169 Cb 0.00 -1.11 -0.06 0.00 0.03 0.00 0.00 46.19 45.05 2fat s LEU 169 CO 0.00 0.10 0.45 -0.31 0.23 0.00 0.00 176.35 176.82 2fat s TYR 170 N -1.72 3.46 -0.04 0.29 1.51 0.39 -0.82 117.35 120.42 2fat s TYR 170 Ca 0.20 0.65 -0.03 0.00 -1.01 0.00 0.00 57.07 56.88 2fat s TYR 170 Cb -0.08 -2.09 0.02 0.00 -0.11 0.00 0.00 41.96 39.70 2fat s TYR 170 CO 0.09 0.35 0.10 0.99 -1.11 0.00 0.00 175.55 175.97 2fat s THR 171 N -1.77 -0.01 0.22 -0.71 2.01 -0.38 -1.32 115.64 113.68 2fat s THR 171 Ca 0.43 0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.40 2fat s THR 171 Cb -0.12 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.22 2fat s THR 171 CO 0.24 0.02 0.34 -0.22 -0.69 0.00 0.00 174.62 174.31 2fat s LEU 172 N 0.32 0.66 0.05 4.42 0.20 0.22 -1.05 118.68 123.50 2fat s LEU 172 Ca -0.02 -1.09 -0.02 0.00 0.69 0.00 0.00 54.13 53.69 2fat s LEU 172 Cb -0.03 1.23 -0.03 0.00 -0.43 0.00 0.00 46.19 46.92 2fat s LEU 172 CO -0.01 -1.02 -0.00 -0.94 -0.29 0.00 0.00 176.35 174.09 2fat s SER 173 N -3.07 0.42 0.00 3.68 1.04 -1.26 -0.86 113.70 113.65 2fat s SER 173 Ca 0.28 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.82 2fat s SER 173 Cb 0.02 0.21 -0.00 0.00 0.10 0.00 0.00 66.02 66.35 2fat s SER 173 CO 0.10 -0.59 -0.04 -0.55 0.98 0.00 0.00 173.24 173.14 2fat s SER 174 N -2.76 0.47 0.11 7.02 0.15 -0.47 -1.68 113.70 116.55 2fat s SER 174 Ca 0.04 -0.12 0.09 0.00 0.70 0.00 0.00 55.95 56.67 2fat s SER 174 Cb 0.06 -0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.29 2fat s SER 174 CO -0.09 0.02 -0.22 -0.94 1.20 0.00 0.00 173.24 173.21 2fat s SER 175 N -0.24 2.72 -0.01 5.45 1.04 0.13 -1.14 113.70 121.65 2fat s SER 175 Ca 0.00 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.73 2fat s SER 175 Cb -0.02 -0.16 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 2fat s SER 175 CO -0.00 0.08 -0.05 0.54 0.98 0.00 0.00 173.24 174.78 2fat s VAL 176 N -1.22 0.44 -0.07 5.02 0.11 -0.46 -0.24 120.40 123.98 2fat s VAL 176 Ca 0.09 -0.22 0.04 0.00 -2.93 0.00 0.00 61.98 58.96 2fat s VAL 176 Cb -0.10 -0.38 -0.02 0.00 -1.53 0.00 0.00 36.38 34.35 2fat s VAL 176 CO 0.05 0.13 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.88 2fat s THR 177 N -0.01 2.71 0.09 5.04 2.01 -0.48 -0.77 115.64 124.23 2fat s THR 177 Ca 0.01 -0.83 -0.05 0.00 0.31 0.00 0.00 61.69 61.12 2fat s THR 177 Cb -0.04 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 2fat s THR 177 CO -0.00 0.57 0.11 0.68 -0.69 0.00 0.00 174.62 175.29 2fat s VAL 178 N -0.32 0.15 0.39 3.82 -7.23 0.02 -4.70 120.40 112.53 2fat s VAL 178 Ca 0.02 -1.51 -0.27 0.00 -1.81 0.00 0.00 61.98 58.41 2fat s VAL 178 Cb -0.13 -1.56 -0.10 0.00 0.56 0.00 0.00 36.38 35.16 2fat s VAL 178 CO 0.02 -0.70 1.38 -2.84 -0.31 0.00 0.00 175.10 172.65 2fat s PRO 179 N -3.92 4.06 0.67 4.82 0.02 -1.26 0.14 135.00 139.53 2fat s PRO 179 Ca 0.10 2.34 0.43 0.00 0.02 0.00 0.00 61.00 63.88 2fat s PRO 179 Cb 0.06 -2.88 2.33 0.00 0.02 0.00 0.00 34.50 34.03 2fat s PRO 179 CO -0.08 -0.48 2.32 0.66 -0.33 0.00 0.00 177.00 179.09 2fat h SER 180 N 2.89 0.00 0.71 2.53 4.64 -1.18 0.26 113.55 123.40 2fat h SER 180 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2fat h SER 180 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2fat h SER 180 CO 0.63 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 2fat n SER 181 N -3.07 0.00 -0.05 4.97 3.41 -1.26 -3.39 113.62 114.23 2fat n SER 181 Ca -0.03 0.38 -0.18 0.00 -0.26 0.00 0.00 58.87 58.78 2fat n SER 181 Cb 0.11 -0.45 -0.13 0.00 -0.26 0.00 0.00 64.21 63.47 2fat n SER 181 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2fat n THR 182 N -1.45 1.63 -4.40 6.66 -1.04 0.92 -4.67 114.28 111.92 2fat n THR 182 Ca 0.07 -0.66 -0.19 0.00 -2.04 0.00 0.00 64.05 61.22 2fat n THR 182 Cb 0.25 -1.43 -0.14 0.00 -1.82 0.00 0.00 70.33 67.19 2fat n THR 182 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 2fat s TRP 183 N -2.54 0.92 -2.00 -1.42 -0.00 -1.21 0.94 118.94 113.63 2fat s TRP 183 Ca -0.23 -0.20 0.01 0.00 -0.00 0.00 0.00 56.10 55.68 2fat s TRP 183 Cb 0.08 -0.59 0.08 0.00 -0.00 0.00 0.00 33.47 33.04 2fat s TRP 183 CO 0.72 -0.01 0.93 -0.35 -0.00 0.00 0.00 176.95 178.24 2fat n PRO 184 N 2.69 0.88 -0.24 5.86 -0.04 -1.26 -4.70 135.00 138.19 2fat n PRO 184 Ca -0.14 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.36 2fat n PRO 184 Cb 0.56 -1.02 0.16 0.00 -0.04 0.00 0.00 33.50 33.16 2fat n PRO 184 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2fat h SER 185 N 0.00 -0.08 -2.39 3.54 0.02 -1.81 -3.42 113.55 109.41 2fat h SER 185 Ca 0.00 0.15 -0.57 0.00 -0.84 0.00 0.00 61.79 60.53 2fat h SER 185 Cb 0.00 0.22 -0.14 0.00 0.14 0.00 0.00 62.40 62.62 2fat h SER 185 CO 0.00 -0.07 -0.73 -1.61 -1.14 0.00 0.00 176.83 173.29 2fat s GLU 186 N -6.08 1.64 0.21 3.45 2.02 0.27 -5.08 118.70 115.14 2fat s GLU 186 Ca -0.13 -1.79 -0.30 0.00 0.02 0.00 0.00 54.97 52.78 2fat s GLU 186 Cb 0.21 -1.58 -0.08 0.00 0.10 0.00 0.00 34.13 32.78 2fat s GLU 186 CO 0.75 0.22 1.19 0.99 0.02 0.00 0.00 175.26 178.44 2fat s THR 187 N -2.67 3.49 -0.08 3.63 2.01 -1.26 -4.55 115.64 116.21 2fat s THR 187 Ca 0.29 1.30 0.00 0.00 0.31 0.00 0.00 61.69 63.59 2fat s THR 187 Cb -0.01 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.69 2fat s THR 187 CO 0.14 0.23 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.54 2fat s VAL 188 N -0.27 0.79 0.02 3.82 1.01 -1.26 -5.00 120.40 119.52 2fat s VAL 188 Ca 0.52 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.32 2fat s VAL 188 Cb -0.33 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2fat s VAL 188 CO 0.38 0.31 -0.09 -0.89 0.00 0.00 0.00 175.10 174.80 2fat s THR 189 N 1.30 0.72 -0.11 3.92 2.01 -1.26 -1.28 115.64 120.95 2fat s THR 189 Ca -0.04 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.17 2fat s THR 189 Cb -0.14 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 2fat s THR 189 CO -0.03 -0.06 0.01 0.00 -0.69 0.00 0.00 174.62 173.85 2fat s ASN 191 N -0.60 4.03 -0.19 0.00 -0.87 0.51 -1.22 114.94 116.61 2fat s ASN 191 Ca 0.10 -0.39 0.01 0.00 -1.57 0.00 0.00 52.86 51.02 2fat s ASN 191 Cb -0.12 -1.65 0.03 0.00 -0.02 0.00 0.00 41.25 39.49 2fat s ASN 191 CO 0.02 0.08 -0.18 -0.69 -2.57 0.00 0.00 177.10 173.76 2fat s VAL 192 N 0.89 2.04 -0.12 1.60 1.01 -0.14 -1.20 120.40 124.48 2fat s VAL 192 Ca -0.03 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 2fat s VAL 192 Cb -0.15 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2fat s VAL 192 CO 0.00 0.41 0.03 0.00 0.00 0.00 0.00 175.10 175.54 2fat s ALA 193 N 1.27 3.38 -0.45 5.51 0.00 -0.07 -1.27 121.76 130.13 2fat s ALA 193 Ca 0.02 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.24 2fat s ALA 193 Cb -0.14 -1.67 0.14 0.00 0.00 0.00 0.00 23.12 21.45 2fat s ALA 193 CO -0.11 0.46 0.26 -1.58 0.00 0.00 0.00 175.76 174.78 2fat s HIS 194 N -0.48 1.93 0.22 0.00 2.46 0.44 -1.35 115.29 118.52 2fat s HIS 194 Ca 0.09 -2.41 -0.14 0.00 0.47 0.00 0.00 55.06 53.07 2fat s HIS 194 Cb -0.12 -1.81 0.27 0.00 -0.13 0.00 0.00 32.58 30.79 2fat s HIS 194 CO 0.02 -0.78 1.60 -1.35 -2.47 0.00 0.00 174.74 171.76 2fat h PRO 195 N 6.62 -0.03 -0.87 2.88 0.11 -1.78 -2.09 132.00 136.83 2fat h PRO 195 Ca 0.02 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.29 2fat h PRO 195 Cb 0.92 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.97 2fat h PRO 195 CO 0.47 -0.02 0.57 0.00 -0.21 0.00 0.00 178.00 178.81 2fat h ALA 196 N 1.57 1.95 -0.69 -0.75 0.00 -1.91 0.11 119.26 119.55 2fat h ALA 196 Ca 0.33 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2fat h ALA 196 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2fat h ALA 196 CO -0.76 -0.20 0.00 -1.13 0.00 0.00 0.00 179.25 177.16 2fat n SER 197 N -4.54 3.85 -3.82 0.00 3.41 -0.85 -4.95 113.62 106.71 2fat n SER 197 Ca 0.17 -2.00 -0.30 0.00 -0.26 0.00 0.00 58.87 56.48 2fat n SER 197 Cb 0.53 -0.46 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2fat n SER 197 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2fat n SER 198 N 1.54 -3.92 -4.46 4.04 7.64 0.39 -4.96 113.62 113.90 2fat n SER 198 Ca 0.23 -0.72 -0.27 0.00 1.01 0.00 0.00 58.87 59.12 2fat n SER 198 Cb 0.60 -3.19 -0.11 0.00 -1.01 0.00 0.00 64.21 60.50 2fat n SER 198 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2fat s THR 199 N -3.15 2.57 -0.16 0.44 -4.23 -1.04 -5.01 115.64 105.06 2fat s THR 199 Ca 0.60 -1.85 -0.08 0.00 -1.18 0.00 0.00 61.69 59.18 2fat s THR 199 Cb -0.32 -2.22 0.06 0.00 1.34 0.00 0.00 72.50 71.36 2fat s THR 199 CO 0.74 -0.06 0.38 -0.75 -0.54 0.00 0.00 174.62 174.40 2fat s LYS 200 N -2.55 0.35 0.11 3.99 2.20 -1.26 -0.42 119.74 122.17 2fat s LYS 200 Ca 0.20 0.77 0.06 0.00 -0.36 0.00 0.00 55.97 56.65 2fat s LYS 200 Cb -0.09 -0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.19 2fat s LYS 200 CO 0.10 -0.17 -0.15 0.54 -0.36 0.00 0.00 175.35 175.32 2fat s VAL 201 N 1.52 1.34 -0.12 4.02 0.11 -0.40 -4.97 120.40 121.90 2fat s VAL 201 Ca -0.09 -1.64 0.03 0.00 -2.93 0.00 0.00 61.98 57.35 2fat s VAL 201 Cb -0.09 -1.47 0.01 0.00 -1.53 0.00 0.00 36.38 33.30 2fat s VAL 201 CO -0.12 -0.35 -0.21 -1.81 -3.33 0.00 0.00 175.10 169.27 2fat s ASP 202 N -2.30 2.96 -0.22 3.54 1.01 -1.26 -0.96 116.67 119.43 2fat s ASP 202 Ca 0.07 -0.55 0.01 0.00 0.71 0.00 0.00 52.55 52.78 2fat s ASP 202 Cb -0.06 -1.36 0.05 0.00 1.01 0.00 0.00 42.92 42.56 2fat s ASP 202 CO 0.03 0.09 -0.07 -0.54 0.21 0.00 0.00 175.17 174.90 2fat s LYS 203 N 0.68 1.75 0.27 8.23 -0.14 -0.36 -4.98 119.74 125.21 2fat s LYS 203 Ca -0.11 -0.93 -0.29 0.00 -1.36 0.00 0.00 55.97 53.28 2fat s LYS 203 Cb -0.16 -2.51 -0.09 0.00 -1.68 0.00 0.00 37.83 33.38 2fat s LYS 203 CO 0.02 -0.54 1.05 0.21 -0.76 0.00 0.00 175.35 175.33 2fat s LYS 204 N 1.40 4.69 -0.45 1.68 2.20 -1.26 -1.50 119.74 126.49 2fat s LYS 204 Ca -0.04 1.71 -0.22 0.00 -0.36 0.00 0.00 55.97 57.06 2fat s LYS 204 Cb -0.18 -3.19 0.03 0.00 -1.51 0.00 0.00 37.83 32.98 2fat s LYS 204 CO -0.07 0.29 0.72 0.42 -0.36 0.00 0.00 175.35 176.35 2fat s ILE 205 N -1.19 4.73 0.17 5.43 -1.09 -0.40 -4.85 121.20 124.00 2fat s ILE 205 Ca 0.44 0.27 0.05 0.00 -2.23 0.00 0.00 60.65 59.18 2fat s ILE 205 Cb -0.30 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.27 2fat s ILE 205 CO 0.38 -0.68 0.15 0.00 -1.23 0.00 0.00 174.94 173.57 2fat s ALA 206 N 3.09 3.60 0.56 9.38 0.00 -1.26 -4.69 121.76 132.44 2fat s ALA 206 Ca 0.26 -1.22 -0.19 0.00 0.00 0.00 0.00 51.96 50.81 2fat s ALA 206 Cb -0.13 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 2fat s ALA 206 CO 0.21 0.48 1.16 0.00 0.00 0.00 0.00 175.76 177.61 2fat s ALA 207 N -1.79 2.64 0.00 0.00 0.00 -1.26 -4.73 121.76 116.62 2fat s ALA 207 Ca 0.31 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2fat s ALA 207 Cb -0.10 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2fat s ALA 207 CO 0.24 -0.93 0.00 0.00 0.00 0.00 0.00 175.76 175.07 2fat n ALA 208 N -1.40 0.00 -1.31 0.00 0.00 -1.26 -5.13 120.51 111.41 2fat n ALA 208 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2fat n ALA 208 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2fat n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91