#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djf s THR 6 N 0.00 2.04 -0.68 3.34 2.01 -1.26 -4.69 115.64 116.39 3djf s THR 6 Ca 0.00 0.04 -0.07 0.00 0.31 0.00 0.00 61.69 61.96 3djf s THR 6 Cb 0.00 -3.02 -0.17 0.00 0.01 0.00 0.00 72.50 69.32 3djf s THR 6 CO 0.00 0.01 3.28 0.00 -0.69 0.00 0.00 174.62 177.22 3djf n ALA 7 N 1.35 6.85 -1.97 7.40 0.00 -1.26 -4.63 120.51 128.25 3djf n ALA 7 Ca 0.05 -2.63 -0.22 0.00 0.00 0.00 0.00 53.44 50.64 3djf n ALA 7 Cb 0.38 -2.72 0.04 0.00 0.00 0.00 0.00 19.45 17.16 3djf n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3djf s ASN 8 N 1.89 5.18 0.33 0.00 2.20 -1.26 -4.88 114.94 118.40 3djf s ASN 8 Ca 0.67 0.04 0.03 0.00 -0.94 0.00 0.00 52.86 52.66 3djf s ASN 8 Cb 0.27 -0.87 0.63 0.00 -2.00 0.00 0.00 41.25 39.27 3djf s ASN 8 CO -0.04 -1.23 1.93 -0.29 -2.94 0.00 0.00 177.10 174.54 3djf h ILE 9 N -0.04 1.04 0.36 0.54 6.09 -1.97 -1.74 117.51 121.80 3djf h ILE 9 Ca -0.42 -0.31 -0.02 0.00 -1.37 0.00 0.00 64.86 62.74 3djf h ILE 9 Cb 1.30 0.07 0.00 0.00 0.47 0.00 0.00 36.82 38.66 3djf h ILE 9 CO 0.53 0.16 -0.17 -0.33 -3.07 0.00 0.00 178.15 175.27 3djf h GLU 10 N 0.90 -0.47 -0.55 2.19 3.07 -1.94 0.35 114.58 118.13 3djf h GLU 10 Ca 0.35 0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 59.19 3djf h GLU 10 Cb 0.23 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 3djf h GLU 10 CO -0.13 -0.26 0.12 -0.91 -1.40 0.00 0.00 179.01 176.43 3djf h ASN 11 N -0.56 0.86 -0.45 1.42 2.35 -1.77 -2.00 115.58 115.42 3djf h ASN 11 Ca -0.05 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.43 3djf h ASN 11 Cb 0.42 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3djf h ASN 11 CO 0.08 0.88 0.17 0.58 -1.65 0.00 0.00 177.43 177.50 3djf h VAL 12 N 0.80 1.21 -0.41 2.81 2.07 -1.29 -2.00 116.25 119.44 3djf h VAL 12 Ca 0.17 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 67.11 3djf h VAL 12 Cb 0.37 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 3djf h VAL 12 CO 0.01 0.24 0.04 0.11 0.02 0.00 0.00 177.57 177.99 3djf h LYS 13 N 0.59 0.15 -0.38 1.57 1.57 -0.79 0.42 116.57 119.71 3djf h LYS 13 Ca 0.15 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 3djf h LYS 13 Cb 0.21 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3djf h LYS 13 CO -0.01 0.10 0.14 0.87 -0.57 0.00 0.00 179.45 179.98 3djf h LYS 14 N 0.16 0.30 -0.36 3.15 1.57 -0.98 -0.20 116.57 120.20 3djf h LYS 14 Ca 0.20 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3djf h LYS 14 Cb 0.27 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3djf h LYS 14 CO -0.30 0.20 0.03 0.28 -0.57 0.00 0.00 179.45 179.08 3djf h VAL 15 N 0.30 1.25 -0.55 0.50 2.07 -0.96 -2.54 116.25 116.32 3djf h VAL 15 Ca 0.17 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 66.85 3djf h VAL 15 Cb 0.13 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 3djf h VAL 15 CO -0.16 0.31 0.21 0.00 0.02 0.00 0.00 177.57 177.94 3djf h ALA 16 N 0.89 0.69 -0.64 1.67 0.00 -0.53 -2.28 119.26 119.05 3djf h ALA 16 Ca 0.11 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3djf h ALA 16 Cb 0.41 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3djf h ALA 16 CO 0.01 -0.19 0.06 0.45 0.00 0.00 0.00 179.25 179.58 3djf h HIS 17 N 0.40 1.18 -0.24 0.00 -0.00 -0.94 -1.18 115.15 114.37 3djf h HIS 17 Ca 0.27 -0.18 0.02 0.00 -0.00 0.00 0.00 60.37 60.47 3djf h HIS 17 Cb 0.29 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 3djf h HIS 17 CO -0.16 1.01 0.10 1.25 -0.00 0.00 0.00 177.93 180.13 3djf h HIS 18 N 1.01 0.18 -0.54 2.45 6.17 -1.17 -2.38 115.15 120.87 3djf h HIS 18 Ca 0.19 0.01 0.04 0.00 0.71 0.00 0.00 60.37 61.32 3djf h HIS 18 Cb 0.50 -0.05 -0.04 0.00 2.52 0.00 0.00 27.41 30.34 3djf h HIS 18 CO 0.04 0.09 0.29 0.82 0.71 0.00 0.00 177.93 179.88 3djf h ILE 19 N 0.22 0.98 0.00 6.26 2.04 -1.20 -1.40 117.51 124.40 3djf h ILE 19 Ca 0.10 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3djf h ILE 19 Cb 0.05 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3djf h ILE 19 CO -0.09 0.10 0.00 1.56 0.00 0.00 0.00 178.15 179.73 3djf h GLN 20 N 0.57 0.00 0.00 2.37 4.20 -0.73 0.86 115.11 122.37 3djf h GLN 20 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3djf h GLN 20 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3djf h GLN 20 CO -0.15 0.00 -0.23 1.17 -0.67 0.00 0.00 178.83 178.95 3djf n LYS 21 N -2.66 0.26 -0.00 1.46 4.81 -0.53 -3.68 118.16 117.82 3djf n LYS 21 Ca -0.01 0.16 0.09 0.00 -0.87 0.00 0.00 58.31 57.68 3djf n LYS 21 Cb 0.11 -1.75 -0.11 0.00 0.02 0.00 0.00 35.03 33.29 3djf n LYS 21 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3djf n LEU 22 N -2.18 0.75 -3.58 3.14 4.32 0.28 -4.99 117.00 114.74 3djf n LEU 22 Ca 0.05 -0.42 -0.14 0.00 -0.02 0.00 0.00 56.01 55.48 3djf n LEU 22 Cb 0.43 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.18 3djf n LEU 22 CO 0.32 0.19 0.27 0.28 -1.22 0.00 0.00 177.39 177.23 3djf s THR 23 N -2.86 0.03 -1.50 -5.08 -1.32 -1.09 -5.04 115.64 98.78 3djf s THR 23 Ca 0.05 -0.27 0.15 0.00 -1.21 0.00 0.00 61.69 60.41 3djf s THR 23 Cb 0.14 -0.98 0.04 0.00 -1.51 0.00 0.00 72.50 70.19 3djf s THR 23 CO 0.78 -0.15 0.85 -1.54 -2.21 0.00 0.00 174.62 172.35 3djf n SER 24 N 0.39 1.76 -4.67 8.08 3.41 -1.26 -4.58 113.62 116.75 3djf n SER 24 Ca -0.18 -1.38 -0.42 0.00 -0.26 0.00 0.00 58.87 56.62 3djf n SER 24 Cb 0.60 0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.84 3djf n SER 24 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3djf s ILE 25 N -1.57 3.89 -0.48 -1.33 -1.09 -1.26 -4.98 121.20 114.38 3djf s ILE 25 Ca 0.14 1.17 -0.18 0.00 -2.23 0.00 0.00 60.65 59.55 3djf s ILE 25 Cb 0.12 -3.76 0.06 0.00 -1.58 0.00 0.00 42.46 37.30 3djf s ILE 25 CO 0.30 -0.06 0.55 -0.69 -1.23 0.00 0.00 174.94 173.81 3djf s VAL 26 N 3.11 4.99 0.32 2.92 1.01 -1.26 -5.04 120.40 126.44 3djf s VAL 26 Ca 0.63 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 61.74 3djf s VAL 26 Cb -0.28 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.78 3djf s VAL 26 CO 0.23 -0.69 1.11 -2.16 0.00 0.00 0.00 175.10 173.59 3djf s PRO 27 N 2.34 4.48 -0.01 2.72 0.05 -1.25 -4.84 135.00 138.50 3djf s PRO 27 Ca 0.12 1.78 0.07 0.00 0.05 0.00 0.00 61.00 63.03 3djf s PRO 27 Cb -0.20 -3.02 -0.11 0.00 0.05 0.00 0.00 34.50 31.22 3djf s PRO 27 CO 0.11 0.08 0.16 -0.85 0.05 0.00 0.00 177.00 176.55 3djf n GLU 28 N 0.84 0.32 -4.94 4.56 0.28 0.43 -2.62 120.64 119.51 3djf n GLU 28 Ca 0.01 -0.06 -0.29 0.00 -0.16 0.00 0.00 57.16 56.65 3djf n GLU 28 Cb 0.46 -1.16 -0.17 0.00 1.43 0.00 0.00 31.44 32.00 3djf n GLU 28 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3djf s ILE 29 N -2.47 1.72 -0.17 3.84 1.01 -1.03 -0.78 121.20 123.32 3djf s ILE 29 Ca -0.02 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 3djf s ILE 29 Cb 0.05 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3djf s ILE 29 CO 0.29 0.48 0.07 -0.83 0.00 0.00 0.00 174.94 174.95 3djf s GLY 30 N 0.51 1.93 -0.14 6.18 0.00 0.85 -1.30 107.32 115.35 3djf s GLY 30 Ca -0.16 -0.74 0.02 0.00 0.00 0.00 0.00 44.72 43.84 3djf s GLY 30 CO 0.06 -0.05 -0.20 -0.42 0.00 0.00 0.00 173.10 172.49 3djf s ILE 31 N 0.09 1.91 -0.43 0.90 1.01 -0.05 0.22 121.20 124.86 3djf s ILE 31 Ca 0.05 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 3djf s ILE 31 Cb -0.12 -1.71 0.06 0.00 0.01 0.00 0.00 42.46 40.70 3djf s ILE 31 CO 0.01 0.52 0.31 -0.63 0.00 0.00 0.00 174.94 175.14 3djf s ILE 32 N 0.97 4.75 -0.18 2.92 1.01 -0.03 -0.26 121.20 130.38 3djf s ILE 32 Ca -0.04 -1.13 -0.29 0.00 0.00 0.00 0.00 60.65 59.19 3djf s ILE 32 Cb -0.15 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 3djf s ILE 32 CO -0.04 -0.48 1.29 0.00 0.00 0.00 0.00 174.94 175.71 3djf n GLY 34 N 3.74 0.96 3.65 0.00 0.00 -1.19 -4.70 105.19 107.65 3djf n GLY 34 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3djf n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3djf s SER 35 N -0.42 6.98 0.00 1.61 0.15 -1.26 -3.71 113.70 117.05 3djf s SER 35 Ca 0.00 1.22 0.00 0.00 0.70 0.00 0.00 55.95 57.87 3djf s SER 35 Cb 0.00 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 3djf s SER 35 CO 0.00 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.43 3djf n GLY 36 N 3.53 1.93 1.72 9.45 0.00 -1.26 -4.45 105.19 116.11 3djf n GLY 36 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 3djf n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3djf n LEU 37 N 0.00 5.52 -0.10 0.99 4.77 -1.24 -4.19 117.00 122.74 3djf n LEU 37 Ca 0.00 -3.42 -0.10 0.00 -0.03 0.00 0.00 56.01 52.46 3djf n LEU 37 Cb 0.00 -0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 40.35 3djf n LEU 37 CO 0.00 0.96 0.89 1.23 -1.33 0.00 0.00 177.39 179.14 3djf h GLY 38 N 1.76 0.51 2.00 -0.72 0.00 -1.91 -3.20 103.07 101.51 3djf h GLY 38 Ca 0.31 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.23 3djf h GLY 38 CO 0.68 0.26 -0.62 0.50 0.00 0.00 0.00 176.54 177.37 3djf h LYS 39 N 0.36 0.00 -0.75 4.80 1.57 -1.88 -3.27 116.57 117.40 3djf h LYS 39 Ca 0.10 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.01 3djf h LYS 39 Cb 0.19 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.42 3djf h LYS 39 CO -0.01 0.62 0.33 1.25 -0.57 0.00 0.00 179.45 181.07 3djf h LEU 40 N 0.00 0.36 -1.25 2.94 5.85 -1.85 -0.89 115.31 120.46 3djf h LEU 40 Ca -0.01 0.09 0.24 0.00 0.84 0.00 0.00 57.88 59.05 3djf h LEU 40 Cb 1.16 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.14 3djf h LEU 40 CO 0.08 0.17 0.64 0.00 -0.34 0.00 0.00 178.44 178.98 3djf h ALA 41 N 1.51 2.04 0.03 1.25 0.00 -1.68 -2.56 119.26 119.84 3djf h ALA 41 Ca 0.40 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 3djf h ALA 41 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3djf h ALA 41 CO -0.36 -0.44 -0.01 -0.44 0.00 0.00 0.00 179.25 178.00 3djf h ASP 42 N 0.50 -0.03 0.00 0.00 3.45 -1.37 -3.20 116.42 115.77 3djf h ASP 42 Ca 0.59 -0.54 0.00 0.00 0.43 0.00 0.00 57.03 57.51 3djf h ASP 42 Cb 1.30 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 3djf h ASP 42 CO -0.33 0.54 0.26 1.23 -1.57 0.00 0.00 179.24 179.37 3djf h GLY 43 N -0.61 0.00 -4.73 2.75 0.00 -1.41 -3.42 103.07 95.65 3djf h GLY 43 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.80 3djf h GLY 43 CO 0.01 0.00 1.01 0.14 0.00 0.00 0.00 176.54 177.69 3djf s VAL 44 N -3.77 2.31 0.06 4.60 1.01 -1.21 -4.93 120.40 118.47 3djf s VAL 44 Ca -0.03 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3djf s VAL 44 Cb 0.07 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 3djf s VAL 44 CO 0.22 0.01 0.13 -0.54 0.00 0.00 0.00 175.10 174.92 3djf s LYS 45 N 1.58 3.11 -1.41 2.72 1.02 0.16 -4.36 119.74 122.55 3djf s LYS 45 Ca 0.75 -0.57 -0.09 0.00 0.02 0.00 0.00 55.97 56.08 3djf s LYS 45 Cb -0.47 -2.86 0.02 0.00 -0.52 0.00 0.00 37.83 33.99 3djf s LYS 45 CO 0.33 0.59 1.06 -0.25 -0.92 0.00 0.00 175.35 176.16 3djf n ASP 46 N 0.48 -6.18 -4.80 2.83 8.00 -1.26 -1.12 116.55 114.50 3djf n ASP 46 Ca -0.08 -0.52 -0.39 0.00 0.71 0.00 0.00 54.79 54.52 3djf n ASP 46 Cb 0.51 -4.89 -0.06 0.00 -0.02 0.00 0.00 41.12 36.67 3djf n ASP 46 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3djf s LYS 47 N -6.24 4.24 -0.11 -1.24 -2.85 -1.26 -4.57 119.74 107.70 3djf s LYS 47 Ca 0.55 0.76 0.00 0.00 -1.00 0.00 0.00 55.97 56.28 3djf s LYS 47 Cb -0.25 -3.25 -0.02 0.00 -2.06 0.00 0.00 37.83 32.25 3djf s LYS 47 CO 0.68 0.60 -0.12 -1.50 0.10 0.00 0.00 175.35 175.11 3djf s ILE 48 N -0.98 3.21 -0.23 3.79 2.07 -0.53 -4.99 121.20 123.53 3djf s ILE 48 Ca 0.30 -0.63 -0.08 0.00 -1.41 0.00 0.00 60.65 58.82 3djf s ILE 48 Cb -0.19 -2.33 -0.04 0.00 0.13 0.00 0.00 42.46 40.03 3djf s ILE 48 CO 0.19 0.54 0.10 -0.89 -1.91 0.00 0.00 174.94 172.98 3djf s THR 49 N -0.01 4.79 -0.22 4.00 2.01 -1.26 -1.82 115.64 123.11 3djf s THR 49 Ca -0.03 -0.02 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 3djf s THR 49 Cb -0.14 -3.22 0.01 0.00 0.01 0.00 0.00 72.50 69.16 3djf s THR 49 CO 0.04 0.36 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.61 3djf s ILE 50 N 1.19 2.88 0.20 1.82 1.01 0.13 -4.98 121.20 123.45 3djf s ILE 50 Ca 0.05 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 3djf s ILE 50 Cb -0.14 -2.35 -0.08 0.00 0.01 0.00 0.00 42.46 39.89 3djf s ILE 50 CO 0.04 0.36 1.13 -2.84 0.00 0.00 0.00 174.94 173.64 3djf s PRO 51 N 1.38 4.57 0.40 2.79 0.02 -1.26 0.48 135.00 143.37 3djf s PRO 51 Ca 0.03 1.79 0.17 0.00 0.02 0.00 0.00 61.00 63.01 3djf s PRO 51 Cb -0.15 -3.25 1.06 0.00 0.02 0.00 0.00 34.50 32.18 3djf s PRO 51 CO -0.06 0.05 1.81 1.88 -0.33 0.00 0.00 177.00 180.35 3djf h TYR 52 N 4.87 0.65 0.00 6.54 0.05 -1.54 0.18 116.97 127.72 3djf h TYR 52 Ca -0.45 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.35 3djf h TYR 52 Cb 1.21 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.76 3djf h TYR 52 CO 0.62 0.12 0.00 1.79 -1.05 0.00 0.00 178.16 179.64 3djf h THR 53 N 0.44 0.00 -0.08 -2.88 1.35 -1.91 -0.02 112.91 109.81 3djf h THR 53 Ca 0.54 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 66.30 3djf h THR 53 Cb 1.30 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3djf h THR 53 CO -0.25 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.31 3djf n LYS 54 N -2.95 1.90 -3.74 4.72 5.02 0.64 -4.79 118.16 118.96 3djf n LYS 54 Ca -0.02 -1.32 -0.38 0.00 -2.02 0.00 0.00 58.31 54.57 3djf n LYS 54 Cb 0.11 -1.46 -0.12 0.00 -0.02 0.00 0.00 35.03 33.55 3djf n LYS 54 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3djf s ILE 55 N -1.91 3.64 -0.03 -0.18 1.01 -0.02 -5.03 121.20 118.67 3djf s ILE 55 Ca 0.35 -1.53 -0.36 0.00 0.00 0.00 0.00 60.65 59.11 3djf s ILE 55 Cb 0.20 -3.24 -0.14 0.00 0.01 0.00 0.00 42.46 39.29 3djf s ILE 55 CO 0.31 -0.42 1.66 -2.65 0.00 0.00 0.00 174.94 173.85 3djf n PRO 56 N 4.75 1.74 -0.59 2.79 -0.02 -1.26 -1.58 135.00 140.83 3djf n PRO 56 Ca -0.09 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3djf n PRO 56 Cb 0.43 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3djf n PRO 56 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3djf n ASN 57 N 4.69 0.00 -4.77 2.55 5.03 -1.26 -4.73 115.26 116.77 3djf n ASN 57 Ca 0.21 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.26 3djf n ASN 57 Cb 0.24 -0.75 -0.03 0.00 -1.02 0.00 0.00 39.78 38.22 3djf n ASN 57 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3djf s PHE 58 N -2.79 3.23 0.60 3.10 5.36 -0.61 -4.89 117.98 121.98 3djf s PHE 58 Ca 0.00 1.53 -0.19 0.00 -0.96 0.00 0.00 56.93 57.31 3djf s PHE 58 Cb 0.00 -3.51 -0.04 0.00 -0.34 0.00 0.00 43.02 39.13 3djf s PHE 58 CO 0.00 -1.35 1.15 -2.30 -1.46 0.00 0.00 175.22 171.26 3djf n PRO 59 N 0.85 1.14 -4.05 10.12 -0.02 -1.26 -4.96 135.00 136.82 3djf n PRO 59 Ca 0.00 0.44 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 3djf n PRO 59 Cb 0.43 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 3djf n PRO 59 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3djf s GLN 60 N -2.95 3.11 0.18 -0.52 -1.52 -1.26 -4.91 119.66 111.78 3djf s GLN 60 Ca 0.77 -0.51 0.03 0.00 -1.95 0.00 0.00 55.36 53.70 3djf s GLN 60 Cb -0.41 -2.88 0.03 0.00 -0.22 0.00 0.00 33.01 29.53 3djf s GLN 60 CO 0.46 0.63 0.24 -2.37 -0.25 0.00 0.00 175.29 173.99 3djf n THR 61 N 0.89 0.00 -1.57 -0.19 5.66 -1.26 -5.09 114.28 112.73 3djf n THR 61 Ca -0.11 -0.62 -0.34 0.00 -3.05 0.00 0.00 64.05 59.93 3djf n THR 61 Cb 0.52 -0.78 0.06 0.00 -1.55 0.00 0.00 70.33 68.59 3djf n THR 61 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3djf n SER 62 N -2.67 7.23 0.00 1.09 7.64 -1.26 -4.96 113.62 120.69 3djf n SER 62 Ca 0.04 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.13 3djf n SER 62 Cb 0.19 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 3djf n SER 62 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3djf n HIS 66 N -0.81 0.00 -2.22 1.43 -0.00 -1.26 -5.14 115.22 107.23 3djf n HIS 66 Ca 0.58 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 58.01 3djf n HIS 66 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.61 3djf n HIS 66 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3djf s SER 67 N 0.00 6.25 0.78 0.41 0.15 -1.26 -5.08 113.70 114.95 3djf s SER 67 Ca 0.00 1.21 -0.12 0.00 0.70 0.00 0.00 55.95 57.74 3djf s SER 67 Cb 0.00 -2.37 0.06 0.00 -1.71 0.00 0.00 66.02 62.00 3djf s SER 67 CO 0.00 -0.74 1.11 -0.83 1.20 0.00 0.00 173.24 173.98 3djf s GLY 68 N -4.12 1.62 0.06 9.45 0.00 -1.26 -4.93 107.32 108.14 3djf s GLY 68 Ca 0.52 -0.32 0.03 0.00 0.00 0.00 0.00 44.72 44.94 3djf s GLY 68 CO 0.50 0.11 -0.08 -1.31 0.00 0.00 0.00 173.10 172.31 3djf s ASN 69 N -4.12 1.05 -0.20 1.64 0.01 -0.57 -1.29 114.94 111.46 3djf s ASN 69 Ca 0.60 -0.67 -0.07 0.00 -0.71 0.00 0.00 52.86 52.02 3djf s ASN 69 Cb -0.13 0.03 -0.03 0.00 0.41 0.00 0.00 41.25 41.53 3djf s ASN 69 CO 0.53 -0.24 0.05 -0.22 -1.51 0.00 0.00 177.10 175.71 3djf s LEU 70 N -1.95 3.59 -0.23 0.60 2.96 0.18 -1.06 118.68 122.77 3djf s LEU 70 Ca -0.04 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 3djf s LEU 70 Cb -0.07 -1.92 0.03 0.00 0.50 0.00 0.00 46.19 44.74 3djf s LEU 70 CO -0.00 0.10 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.36 3djf s ILE 71 N 0.84 2.35 0.19 6.68 1.01 -0.31 -0.70 121.20 131.26 3djf s ILE 71 Ca 0.03 -1.18 0.04 0.00 0.00 0.00 0.00 60.65 59.54 3djf s ILE 71 Cb -0.14 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 3djf s ILE 71 CO 0.02 0.26 0.27 -0.36 0.00 0.00 0.00 174.94 175.13 3djf s PHE 72 N 1.24 3.38 -5.00 3.97 0.40 -0.76 -0.47 117.98 120.74 3djf s PHE 72 Ca -0.01 0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 3djf s PHE 72 Cb -0.16 -1.59 0.00 0.00 0.51 0.00 0.00 43.02 41.78 3djf s PHE 72 CO -0.08 0.50 0.00 0.41 0.70 0.00 0.00 175.22 176.75 3djf n GLY 73 N -0.79 -0.13 3.42 4.36 0.00 -1.10 -1.46 105.19 109.49 3djf n GLY 73 Ca -0.08 -1.33 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 3djf n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3djf s THR 74 N -2.98 2.17 -0.27 2.61 -4.23 -0.27 -1.41 115.64 111.26 3djf s THR 74 Ca 0.00 -2.31 -0.09 0.00 -1.18 0.00 0.00 61.69 58.12 3djf s THR 74 Cb 0.00 -2.18 0.12 0.00 1.34 0.00 0.00 72.50 71.78 3djf s THR 74 CO 0.00 -0.46 0.58 -0.22 -0.54 0.00 0.00 174.62 173.97 3djf s LEU 75 N -3.38 -1.01 -1.49 4.79 2.96 0.71 -0.67 118.68 120.58 3djf s LEU 75 Ca 0.26 1.36 -0.13 0.00 -0.22 0.00 0.00 54.13 55.40 3djf s LEU 75 Cb -0.03 2.01 0.09 0.00 0.50 0.00 0.00 46.19 48.76 3djf s LEU 75 CO 0.11 -0.23 0.78 -1.20 -1.32 0.00 0.00 176.35 174.50 3djf n SER 76 N 5.43 -4.35 0.00 3.68 7.64 -1.26 -0.63 113.62 124.13 3djf n SER 76 Ca -0.10 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.11 3djf n SER 76 Cb 0.49 -3.52 0.00 0.00 -1.01 0.00 0.00 64.21 60.17 3djf n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3djf n GLY 77 N -1.47 0.49 3.60 0.23 0.00 -1.26 -4.59 105.19 102.18 3djf n GLY 77 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3djf n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3djf s ARG 78 N -0.44 2.46 -0.24 1.61 1.81 0.20 -5.07 118.95 119.27 3djf s ARG 78 Ca 0.00 -0.80 -0.26 0.00 -1.72 0.00 0.00 55.73 52.95 3djf s ARG 78 Cb 0.00 -2.46 0.00 0.00 -0.45 0.00 0.00 34.95 32.04 3djf s ARG 78 CO 0.00 0.58 0.90 0.15 -0.68 0.00 0.00 175.30 176.24 3djf s LYS 79 N -1.68 4.19 0.21 3.54 1.02 -1.26 -0.21 119.74 125.55 3djf s LYS 79 Ca 0.19 1.06 0.07 0.00 0.02 0.00 0.00 55.97 57.31 3djf s LYS 79 Cb -0.11 -3.65 -0.05 0.00 -0.52 0.00 0.00 37.83 33.50 3djf s LYS 79 CO 0.10 -0.57 -0.12 0.14 -0.92 0.00 0.00 175.35 173.98 3djf s VAL 80 N 2.98 1.61 -0.05 3.17 -7.23 -0.50 -0.43 120.40 119.96 3djf s VAL 80 Ca 0.38 -2.17 0.03 0.00 -1.81 0.00 0.00 61.98 58.41 3djf s VAL 80 Cb -0.15 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.71 3djf s VAL 80 CO 0.07 -0.57 -0.14 0.54 -0.31 0.00 0.00 175.10 174.69 3djf s VAL 81 N -3.05 1.24 -0.13 1.32 0.11 -0.42 -2.69 120.40 116.77 3djf s VAL 81 Ca 0.23 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 58.71 3djf s VAL 81 Cb 0.01 -1.09 -0.00 0.00 -1.53 0.00 0.00 36.38 33.77 3djf s VAL 81 CO 0.07 0.37 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.33 3djf s VAL 82 N 0.25 2.41 -0.33 2.04 1.01 0.38 -0.87 120.40 125.28 3djf s VAL 82 Ca -0.07 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 3djf s VAL 82 Cb -0.12 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 3djf s VAL 82 CO 0.02 0.54 0.63 -0.04 0.00 0.00 0.00 175.10 176.25 3djf s MET 83 N 0.63 3.78 -0.48 2.72 -1.94 0.64 -1.16 119.30 123.49 3djf s MET 83 Ca -0.10 0.17 -0.11 0.00 -1.71 0.00 0.00 55.69 53.94 3djf s MET 83 Cb -0.16 -3.77 0.12 0.00 2.01 0.00 0.00 34.83 33.02 3djf s MET 83 CO 0.02 -0.66 0.37 -1.14 -0.01 0.00 0.00 175.02 173.61 3djf s GLN 84 N 2.67 2.61 0.00 2.03 0.74 -0.23 -3.01 119.66 124.47 3djf s GLN 84 Ca 0.25 -1.72 0.00 0.00 0.05 0.00 0.00 55.36 53.94 3djf s GLN 84 Cb -0.15 -4.00 0.00 0.00 1.10 0.00 0.00 33.01 29.97 3djf s GLN 84 CO 0.13 -1.20 0.00 0.41 -0.55 0.00 0.00 175.29 174.09 3djf n GLY 85 N 4.99 1.85 3.96 2.59 0.00 -1.26 -1.51 105.19 115.80 3djf n GLY 85 Ca -0.09 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 3djf n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3djf s ARG 86 N -2.23 2.58 -0.24 1.61 0.52 -1.26 -4.92 118.95 115.00 3djf s ARG 86 Ca 0.00 -1.49 0.03 0.00 -0.52 0.00 0.00 55.73 53.75 3djf s ARG 86 Cb 0.00 -2.55 0.05 0.00 0.52 0.00 0.00 34.95 32.97 3djf s ARG 86 CO 0.00 -0.39 -0.13 -0.06 0.02 0.00 0.00 175.30 174.74 3djf s PHE 87 N -2.49 3.17 -0.11 -0.53 0.08 -1.26 -4.91 117.98 111.93 3djf s PHE 87 Ca 0.52 -2.19 -0.06 0.00 0.12 0.00 0.00 56.93 55.32 3djf s PHE 87 Cb -0.06 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 3djf s PHE 87 CO 0.31 -0.87 0.10 -1.01 -0.10 0.00 0.00 175.22 173.66 3djf s HIS 88 N 1.14 3.48 0.28 0.36 3.76 -1.26 -4.92 115.29 118.13 3djf s HIS 88 Ca -0.06 0.44 -0.04 0.00 -0.15 0.00 0.00 55.06 55.25 3djf s HIS 88 Cb -0.19 -1.91 0.37 0.00 1.11 0.00 0.00 32.58 31.97 3djf s HIS 88 CO -0.07 0.66 1.95 0.52 -0.85 0.00 0.00 174.74 176.95 3djf h MET 89 N 5.08 1.19 0.00 1.40 0.00 -1.88 -1.28 114.93 119.44 3djf h MET 89 Ca -0.53 -0.07 0.00 0.00 0.00 0.00 0.00 59.70 59.09 3djf h MET 89 Cb 1.22 -0.27 0.00 0.00 0.00 0.00 0.00 31.60 32.55 3djf h MET 89 CO 0.58 0.79 0.00 0.10 0.00 0.00 0.00 176.91 178.37 3djf h TYR 90 N 1.22 0.00 0.00 -0.22 -0.00 -1.89 0.39 116.97 116.47 3djf h TYR 90 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.06 3djf h TYR 90 Cb -0.13 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.60 3djf h TYR 90 CO -0.00 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 178.55 3djf n GLU 91 N -2.87 0.14 -0.02 0.10 -0.58 -0.48 -4.85 120.64 112.09 3djf n GLU 91 Ca -0.03 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 3djf n GLU 91 Cb 0.07 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.25 3djf n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3djf n GLY 92 N 1.03 0.99 3.78 0.62 0.00 0.13 -5.09 105.19 106.65 3djf n GLY 92 Ca 0.05 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3djf n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3djf s TYR 93 N -2.00 2.74 0.75 1.61 2.02 -1.25 -5.02 117.35 116.19 3djf s TYR 93 Ca 0.00 1.55 -0.12 0.00 -0.37 0.00 0.00 57.07 58.13 3djf s TYR 93 Cb 0.00 -3.23 0.04 0.00 -0.40 0.00 0.00 41.96 38.37 3djf s TYR 93 CO 0.00 -1.41 1.11 -1.54 -1.57 0.00 0.00 175.55 172.14 3djf s SER 94 N -1.87 5.05 0.23 2.29 1.04 -1.26 -4.82 113.70 114.36 3djf s SER 94 Ca 0.71 1.13 -0.06 0.00 0.48 0.00 0.00 55.95 58.21 3djf s SER 94 Cb -0.22 -1.86 0.33 0.00 0.10 0.00 0.00 66.02 64.36 3djf s SER 94 CO 0.26 -1.60 1.83 0.78 0.98 0.00 0.00 173.24 175.50 3djf h ASN 95 N -0.83 0.72 -0.56 7.02 2.35 -1.95 -2.05 115.58 120.28 3djf h ASN 95 Ca -0.46 0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.22 3djf h ASN 95 Cb 1.27 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 3djf h ASN 95 CO 0.63 0.45 -0.03 0.44 -1.65 0.00 0.00 177.43 177.27 3djf h ASP 96 N 0.85 1.00 -0.25 5.81 3.32 -1.90 -1.09 116.42 124.16 3djf h ASP 96 Ca 0.36 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3djf h ASP 96 Cb 0.23 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3djf h ASP 96 CO -0.19 1.08 0.13 0.74 -1.72 0.00 0.00 179.24 179.28 3djf h THR 97 N 0.90 1.13 -0.16 0.35 2.02 -1.76 -1.70 112.91 113.70 3djf h THR 97 Ca 0.15 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 3djf h THR 97 Cb 0.59 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3djf h THR 97 CO 0.04 0.13 -0.19 0.58 0.37 0.00 0.00 175.52 176.45 3djf h VAL 98 N 0.29 1.21 0.08 3.16 2.07 -1.19 -3.25 116.25 118.62 3djf h VAL 98 Ca 0.09 -0.97 -0.25 0.00 0.82 0.00 0.00 66.70 66.39 3djf h VAL 98 Cb 0.09 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3djf h VAL 98 CO -0.01 0.30 -1.12 0.00 0.02 0.00 0.00 177.57 176.75 3djf h ALA 99 N 1.56 0.22 -0.31 1.67 0.00 -0.89 -3.38 119.26 118.14 3djf h ALA 99 Ca 0.04 -0.86 0.04 0.00 0.00 0.00 0.00 54.91 54.13 3djf h ALA 99 Cb 0.48 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3djf h ALA 99 CO 0.03 1.02 0.09 1.25 0.00 0.00 0.00 179.25 181.65 3djf h LEU 100 N 0.07 0.08 -1.13 0.00 6.46 -1.35 -1.72 115.31 117.71 3djf h LEU 100 Ca -0.09 0.04 0.09 0.00 -0.12 0.00 0.00 57.88 57.80 3djf h LEU 100 Cb 1.85 0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 41.75 3djf h LEU 100 CO 0.18 0.08 0.60 -0.65 -0.62 0.00 0.00 178.44 178.02 3djf h PRO 101 N 0.21 0.94 -0.31 5.25 0.11 -1.75 0.27 132.00 136.71 3djf h PRO 101 Ca 0.14 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 66.01 3djf h PRO 101 Cb 0.12 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 3djf h PRO 101 CO -0.16 0.62 -0.51 0.82 -0.21 0.00 0.00 178.00 178.56 3djf h ILE 102 N 0.97 1.27 -0.15 4.15 1.08 -1.64 -2.17 117.51 121.02 3djf h ILE 102 Ca 0.43 -1.69 -0.09 0.00 -0.39 0.00 0.00 64.86 63.12 3djf h ILE 102 Cb 0.36 1.57 -0.01 0.00 -3.07 0.00 0.00 36.82 35.67 3djf h ILE 102 CO -0.19 0.56 -0.31 0.03 -0.69 0.00 0.00 178.15 177.55 3djf h ARG 103 N 0.70 0.29 -0.86 2.37 3.08 -0.52 -2.45 114.38 116.98 3djf h ARG 103 Ca 0.03 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3djf h ARG 103 Cb 1.12 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.11 3djf h ARG 103 CO 0.12 0.57 0.45 0.28 -1.07 0.00 0.00 179.97 180.32 3djf h VAL 104 N 0.25 1.25 -0.72 2.04 2.07 -0.25 -2.45 116.25 118.45 3djf h VAL 104 Ca 0.03 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.92 3djf h VAL 104 Cb 0.68 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3djf h VAL 104 CO 0.05 0.29 0.47 0.24 0.02 0.00 0.00 177.57 178.64 3djf h MET 105 N 1.20 0.91 -0.11 1.57 2.86 -0.94 -1.50 114.93 118.93 3djf h MET 105 Ca 0.30 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.93 3djf h MET 105 Cb 0.05 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 31.46 3djf h MET 105 CO -0.05 0.60 -0.18 -0.22 1.06 0.00 0.00 176.91 178.12 3djf h LYS 106 N 0.94 -0.24 0.00 1.72 1.63 -1.10 -1.08 116.57 118.44 3djf h LYS 106 Ca 0.27 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.06 3djf h LYS 106 Cb -0.07 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.61 3djf h LYS 106 CO -0.08 -0.16 -0.14 -0.07 -3.45 0.00 0.00 179.45 175.56 3djf h LEU 107 N -0.24 0.00 -0.06 5.20 3.38 -1.17 -2.49 115.31 119.92 3djf h LEU 107 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3djf h LEU 107 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3djf h LEU 107 CO -0.25 0.14 0.00 0.18 0.09 0.00 0.00 178.44 178.60 3djf n LEU 108 N -3.78 0.81 0.00 1.67 4.77 -0.49 -4.92 117.00 115.07 3djf n LEU 108 Ca -0.02 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 3djf n LEU 108 Cb 0.24 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3djf n LEU 108 CO 0.31 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 3djf n GLY 109 N 1.19 1.15 3.72 -0.72 0.00 -0.81 -3.89 105.19 105.83 3djf n GLY 109 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3djf n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3djf n VAL 110 N 0.00 0.75 -0.02 1.61 0.31 -0.73 -4.51 118.33 115.74 3djf n VAL 110 Ca 0.00 -0.19 -0.01 0.00 -0.01 0.00 0.00 64.34 64.13 3djf n VAL 110 Cb 0.00 -1.82 -0.04 0.00 -0.91 0.00 0.00 33.84 31.07 3djf n VAL 110 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3djf n LYS 111 N 2.53 2.71 -4.40 5.55 4.76 0.04 -4.64 118.16 124.71 3djf n LYS 111 Ca 0.11 -0.01 -0.22 0.00 -2.87 0.00 0.00 58.31 55.32 3djf n LYS 111 Cb 0.35 -1.12 -0.16 0.00 -1.84 0.00 0.00 35.03 32.25 3djf n LYS 111 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3djf s ILE 112 N -2.15 0.86 -0.22 -0.18 1.01 -1.14 -1.34 121.20 118.05 3djf s ILE 112 Ca -0.02 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.24 3djf s ILE 112 Cb 0.02 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.63 3djf s ILE 112 CO 0.19 0.30 0.06 -0.22 0.00 0.00 0.00 174.94 175.27 3djf s LEU 113 N 0.77 3.61 -0.18 2.97 2.96 0.14 -0.10 118.68 128.85 3djf s LEU 113 Ca -0.13 -0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 3djf s LEU 113 Cb -0.15 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 3djf s LEU 113 CO 0.02 0.07 -0.02 -0.04 -1.32 0.00 0.00 176.35 175.05 3djf s MET 114 N 1.02 3.62 -0.02 1.98 -1.94 0.13 -0.81 119.30 123.29 3djf s MET 114 Ca 0.04 -0.53 0.02 0.00 -1.71 0.00 0.00 55.69 53.50 3djf s MET 114 Cb -0.14 -2.98 0.00 0.00 2.01 0.00 0.00 34.83 33.72 3djf s MET 114 CO 0.03 0.12 -0.05 0.54 -0.01 0.00 0.00 175.02 175.64 3djf s VAL 115 N 0.70 0.49 0.20 -6.03 0.11 0.06 -0.85 120.40 115.08 3djf s VAL 115 Ca -0.01 -0.21 0.10 0.00 -2.93 0.00 0.00 61.98 58.93 3djf s VAL 115 Cb -0.14 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 3djf s VAL 115 CO 0.02 0.16 -0.14 -0.94 -3.33 0.00 0.00 175.10 170.88 3djf s SER 116 N 0.20 3.98 0.27 3.54 1.04 -1.16 -1.52 113.70 120.06 3djf s SER 116 Ca -0.02 -0.71 -0.09 0.00 0.48 0.00 0.00 55.95 55.61 3djf s SER 116 Cb -0.06 -0.56 -0.00 0.00 0.10 0.00 0.00 66.02 65.49 3djf s SER 116 CO -0.00 0.09 0.45 0.54 0.98 0.00 0.00 173.24 175.31 3djf s ASN 117 N -2.92 0.20 -0.06 7.02 2.20 -0.61 -3.14 114.94 117.63 3djf s ASN 117 Ca 0.25 -1.13 -0.04 0.00 -0.94 0.00 0.00 52.86 51.00 3djf s ASN 117 Cb -0.08 0.60 -0.04 0.00 -2.00 0.00 0.00 41.25 39.73 3djf s ASN 117 CO 0.14 -1.17 0.12 0.00 -2.94 0.00 0.00 177.10 173.25 3djf s ALA 118 N -3.71 3.75 0.11 3.54 0.00 -1.26 -0.74 121.76 123.44 3djf s ALA 118 Ca 0.26 -0.75 -0.09 0.00 0.00 0.00 0.00 51.96 51.39 3djf s ALA 118 Cb 0.00 -1.79 -0.00 0.00 0.00 0.00 0.00 23.12 21.33 3djf s ALA 118 CO 0.12 0.67 0.21 0.00 0.00 0.00 0.00 175.76 176.76 3djf s ALA 119 N -1.12 -0.15 0.18 0.00 0.00 -0.43 -4.74 121.76 115.50 3djf s ALA 119 Ca 0.20 -0.69 -0.17 0.00 0.00 0.00 0.00 51.96 51.29 3djf s ALA 119 Cb -0.12 0.58 -0.08 0.00 0.00 0.00 0.00 23.12 23.50 3djf s ALA 119 CO 0.10 -0.54 0.64 0.20 0.00 0.00 0.00 175.76 176.16 3djf s GLY 120 N -2.89 2.54 -0.38 0.00 0.00 0.13 -1.92 107.32 104.80 3djf s GLY 120 Ca 0.08 0.02 -0.20 0.00 0.00 0.00 0.00 44.72 44.62 3djf s GLY 120 CO -0.08 0.34 0.59 -0.32 0.00 0.00 0.00 173.10 173.63 3djf s GLY 121 N -1.68 1.76 -0.20 0.20 0.00 0.09 -1.48 107.32 106.02 3djf s GLY 121 Ca 0.40 -1.04 -0.22 0.00 0.00 0.00 0.00 44.72 43.86 3djf s GLY 121 CO 0.20 1.43 0.29 1.41 0.00 0.00 0.00 173.10 176.43 3djf h LEU 122 N 9.38 0.02 -9.36 0.66 3.38 -1.02 -1.31 115.31 117.05 3djf h LEU 122 Ca -0.26 -0.59 -0.64 0.00 0.09 0.00 0.00 57.88 56.48 3djf h LEU 122 Cb 1.11 -0.01 0.05 0.00 0.09 0.00 0.00 40.66 41.90 3djf h LEU 122 CO 0.83 1.44 0.69 -3.20 0.09 0.00 0.00 178.44 178.30 3djf n ASN 123 N -4.42 2.49 0.00 -0.43 2.85 -0.64 -4.81 115.26 110.30 3djf n ASN 123 Ca -0.29 1.09 0.11 0.00 -0.11 0.00 0.00 54.58 55.37 3djf n ASN 123 Cb 0.67 -1.31 0.49 0.00 1.24 0.00 0.00 39.78 40.88 3djf n ASN 123 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3djf n ARG 124 N 3.49 0.07 0.00 1.20 5.12 -1.26 -2.23 116.66 123.05 3djf n ARG 124 Ca 0.19 0.11 0.12 0.00 -1.93 0.00 0.00 57.85 56.34 3djf n ARG 124 Cb 0.24 -1.50 0.23 0.00 -1.16 0.00 0.00 32.46 30.27 3djf n ARG 124 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3djf n SER 125 N -1.45 1.40 -4.80 0.55 3.41 -1.26 -4.93 113.62 106.53 3djf n SER 125 Ca 0.07 -1.12 -0.34 0.00 -0.26 0.00 0.00 58.87 57.21 3djf n SER 125 Cb 0.24 0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 3djf n SER 125 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3djf s LEU 126 N -2.50 3.97 0.17 1.04 1.43 -0.95 -5.08 118.68 116.76 3djf s LEU 126 Ca 0.22 1.84 0.10 0.00 -1.03 0.00 0.00 54.13 55.26 3djf s LEU 126 Cb 0.19 -4.45 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 3djf s LEU 126 CO 0.54 -0.52 -0.22 -0.54 0.23 0.00 0.00 176.35 175.85 3djf s LYS 127 N -3.01 1.39 0.15 1.70 1.02 -1.26 -5.05 119.74 114.67 3djf s LYS 127 Ca 0.62 -1.44 -0.33 0.00 0.02 0.00 0.00 55.97 54.84 3djf s LYS 127 Cb -0.14 -1.63 -0.16 0.00 -0.52 0.00 0.00 37.83 35.38 3djf s LYS 127 CO 0.19 0.35 1.12 -0.11 -0.92 0.00 0.00 175.35 175.98 3djf n LEU 128 N 0.41 1.20 0.00 3.17 7.94 -1.26 -1.47 117.00 126.98 3djf n LEU 128 Ca -0.14 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 3djf n LEU 128 Cb 0.56 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.34 3djf n LEU 128 CO 0.28 -1.46 0.00 0.61 -1.11 0.00 0.00 177.39 175.72 3djf n GLY 129 N 2.00 1.16 3.74 -3.96 0.00 0.11 -5.03 105.19 103.22 3djf n GLY 129 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3djf n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3djf s ASP 130 N -3.09 4.49 -0.19 1.61 1.01 -0.54 -4.74 116.67 115.22 3djf s ASP 130 Ca 0.00 2.22 -0.08 0.00 0.71 0.00 0.00 52.55 55.41 3djf s ASP 130 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3djf s ASP 130 CO 0.00 -2.06 0.07 -0.36 0.21 0.00 0.00 175.17 173.03 3djf s PHE 131 N -2.13 3.24 -0.34 4.23 2.99 -0.11 -1.05 117.98 124.81 3djf s PHE 131 Ca 0.71 0.04 0.02 0.00 0.00 0.00 0.00 56.93 57.70 3djf s PHE 131 Cb -0.26 -2.10 0.09 0.00 0.00 0.00 0.00 43.02 40.75 3djf s PHE 131 CO 0.44 0.10 0.06 0.08 -0.00 0.00 0.00 175.22 175.91 3djf s VAL 132 N 0.52 2.56 0.13 -0.44 1.01 0.83 -0.41 120.40 124.60 3djf s VAL 132 Ca 0.03 -2.11 -0.31 0.00 0.00 0.00 0.00 61.98 59.59 3djf s VAL 132 Cb -0.13 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.38 3djf s VAL 132 CO 0.01 -0.51 1.67 -0.63 0.00 0.00 0.00 175.10 175.64 3djf s ILE 133 N 1.01 2.63 0.04 2.22 1.01 0.52 -0.94 121.20 127.69 3djf s ILE 133 Ca 0.06 0.31 -0.31 0.00 0.00 0.00 0.00 60.65 60.72 3djf s ILE 133 Cb -0.20 -3.20 -0.06 0.00 0.01 0.00 0.00 42.46 39.01 3djf s ILE 133 CO -0.06 0.01 1.35 -0.76 0.00 0.00 0.00 174.94 175.48 3djf s LEU 134 N 1.92 4.34 -0.00 2.97 1.02 0.19 -1.39 118.68 127.74 3djf s LEU 134 Ca 0.74 2.14 0.09 0.00 0.02 0.00 0.00 54.13 57.12 3djf s LEU 134 Cb -0.44 -3.57 -0.10 0.00 0.02 0.00 0.00 46.19 42.10 3djf s LEU 134 CO 0.33 -0.65 0.38 2.29 0.02 0.00 0.00 176.35 178.72 3djf n LYS 135 N 4.70 3.78 -3.72 1.70 2.85 -0.68 -4.72 118.16 122.08 3djf n LYS 135 Ca 0.12 -0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.35 3djf n LYS 135 Cb 0.44 -0.95 -0.01 0.00 -0.65 0.00 0.00 35.03 33.86 3djf n LYS 135 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3djf s ASP 136 N -1.93 -0.14 0.15 -5.58 -1.08 -1.23 -4.59 116.67 102.26 3djf s ASP 136 Ca 0.03 -0.33 -0.07 0.00 -0.52 0.00 0.00 52.55 51.66 3djf s ASP 136 Cb 0.07 0.39 -0.01 0.00 -1.46 0.00 0.00 42.92 41.91 3djf s ASP 136 CO 0.37 -0.73 0.22 -1.38 0.52 0.00 0.00 175.17 174.18 3djf s HIS 137 N -3.01 0.45 -0.19 -5.34 -3.43 -1.26 -2.28 115.29 100.23 3djf s HIS 137 Ca 0.13 -0.83 0.01 0.00 -0.80 0.00 0.00 55.06 53.56 3djf s HIS 137 Cb 0.00 -0.14 0.04 0.00 -1.43 0.00 0.00 32.58 31.05 3djf s HIS 137 CO 0.01 -0.65 -0.11 0.42 -2.00 0.00 0.00 174.74 172.41 3djf s ILE 138 N -3.97 1.60 -1.10 -5.38 1.01 -0.23 -4.92 121.20 108.22 3djf s ILE 138 Ca 0.17 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 3djf s ILE 138 Cb 0.04 -1.65 0.27 0.00 0.01 0.00 0.00 42.46 41.14 3djf s ILE 138 CO -0.01 0.23 1.10 -0.47 0.00 0.00 0.00 174.94 175.78 3djf s TYR 139 N 1.43 4.24 0.18 3.97 6.04 -1.26 -2.18 117.35 129.76 3djf s TYR 139 Ca 0.00 -2.64 -0.13 0.00 0.04 0.00 0.00 57.07 54.34 3djf s TYR 139 Cb -0.15 -3.85 0.15 0.00 -1.04 0.00 0.00 41.96 37.07 3djf s TYR 139 CO -0.09 -0.96 1.78 -0.07 -1.54 0.00 0.00 175.55 174.67 3djf h LEU 140 N 6.78 0.33 -1.42 6.97 3.38 -1.97 -0.21 115.31 129.17 3djf h LEU 140 Ca 0.18 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3djf h LEU 140 Cb 0.88 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3djf h LEU 140 CO 1.00 0.22 0.30 -0.65 0.09 0.00 0.00 178.44 179.41 3djf h PRO 141 N 0.47 0.69 -0.33 1.13 0.11 -1.91 -2.51 132.00 129.65 3djf h PRO 141 Ca 0.23 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.22 3djf h PRO 141 Cb 0.17 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 3djf h PRO 141 CO -0.18 0.49 -0.05 0.78 -0.21 0.00 0.00 178.00 178.84 3djf h GLY 142 N 0.75 0.67 1.61 -0.55 0.00 -1.33 -0.29 103.07 103.93 3djf h GLY 142 Ca 0.19 -0.53 0.05 0.00 0.00 0.00 0.00 47.33 47.03 3djf h GLY 142 CO -0.03 0.49 0.15 1.41 0.00 0.00 0.00 176.54 178.55 3djf h LEU 143 N 0.41 0.00 -3.52 3.11 3.38 -0.89 -2.99 115.31 114.81 3djf h LEU 143 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3djf h LEU 143 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3djf h LEU 143 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3djf n GLY 144 N -1.47 3.02 1.75 0.83 0.00 -0.95 -4.92 105.19 103.45 3djf n GLY 144 Ca 0.01 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3djf n GLY 144 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3djf n LEU 145 N 0.63 0.00 -1.35 0.99 7.94 -1.13 -4.92 117.00 119.16 3djf n LEU 145 Ca 0.27 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 55.08 3djf n LEU 145 Cb 1.16 -0.44 0.14 0.00 0.53 0.00 0.00 43.42 44.82 3djf n LEU 145 CO 0.31 0.00 0.53 0.59 -1.11 0.00 0.00 177.39 177.71 3djf n ASN 146 N 0.86 3.32 -4.76 1.96 3.02 -0.16 -4.99 115.26 114.50 3djf n ASN 146 Ca 0.00 -3.81 -0.41 0.00 -0.03 0.00 0.00 54.58 50.33 3djf n ASN 146 Cb 0.00 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.59 3djf n ASN 146 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3djf s ASN 147 N -2.95 6.65 0.61 6.41 3.84 -1.24 -4.43 114.94 123.84 3djf s ASN 147 Ca 0.46 2.75 0.31 0.00 0.21 0.00 0.00 52.86 56.60 3djf s ASN 147 Cb 0.41 -2.65 1.80 0.00 -0.55 0.00 0.00 41.25 40.27 3djf s ASN 147 CO -0.01 -0.65 2.15 -0.29 -2.79 0.00 0.00 177.10 175.51 3djf h ILE 148 N 3.17 0.36 -0.01 -5.21 2.10 -1.94 -1.44 117.51 114.54 3djf h ILE 148 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.46 3djf h ILE 148 Cb 1.23 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 3djf h ILE 148 CO 0.69 0.00 -0.02 0.18 -1.08 0.00 0.00 178.15 177.91 3djf n LEU 149 N -3.61 1.43 -4.73 2.19 4.77 -1.26 -4.83 117.00 110.95 3djf n LEU 149 Ca -0.00 -0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 55.09 3djf n LEU 149 Cb 0.25 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 3djf n LEU 149 CO 0.25 0.24 1.14 0.52 -1.33 0.00 0.00 177.39 178.21 3djf n VAL 150 N 0.07 1.34 0.00 4.08 0.31 -0.55 -4.77 118.33 118.81 3djf n VAL 150 Ca 0.18 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3djf n VAL 150 Cb 0.35 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 3djf n VAL 150 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3djf n GLY 151 N 1.63 0.07 3.73 2.92 0.00 -1.26 -5.02 105.19 107.26 3djf n GLY 151 Ca 0.07 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 3djf n GLY 151 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3djf n PRO 152 N -0.78 2.51 -2.55 1.61 -0.02 -1.26 -4.93 135.00 129.58 3djf n PRO 152 Ca 0.00 0.89 -0.41 0.00 -2.02 0.00 0.00 63.50 61.96 3djf n PRO 152 Cb 0.00 -2.62 -0.04 0.00 -0.02 0.00 0.00 33.50 30.82 3djf n PRO 152 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3djf s ASN 153 N 0.26 7.32 -0.71 2.55 2.47 -1.26 -4.99 114.94 120.58 3djf s ASN 153 Ca 0.62 2.09 -0.19 0.00 0.42 0.00 0.00 52.86 55.80 3djf s ASN 153 Cb -0.53 -2.61 0.11 0.00 -1.45 0.00 0.00 41.25 36.78 3djf s ASN 153 CO 0.53 -0.16 0.88 -1.10 -3.72 0.00 0.00 177.10 173.53 3djf s GLN 154 N -0.64 3.25 0.52 0.43 -1.52 -1.26 -4.90 119.66 115.55 3djf s GLN 154 Ca 0.47 -1.44 0.27 0.00 -1.95 0.00 0.00 55.36 52.72 3djf s GLN 154 Cb -0.29 -4.44 1.45 0.00 -0.22 0.00 0.00 33.01 29.51 3djf s GLN 154 CO 0.35 -1.64 2.08 0.93 -0.25 0.00 0.00 175.29 176.76 3djf h GLU 155 N 9.05 0.00 0.00 2.91 4.39 -1.95 -1.72 114.58 127.26 3djf h GLU 155 Ca -0.14 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 3djf h GLU 155 Cb 1.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3djf h GLU 155 CO 1.09 0.11 -0.06 0.00 -1.16 0.00 0.00 179.01 178.99 3djf h ALA 156 N 1.89 1.25 0.00 3.43 0.00 -2.01 -3.04 119.26 120.78 3djf h ALA 156 Ca -0.00 -0.06 -0.37 0.00 0.00 0.00 0.00 54.91 54.48 3djf h ALA 156 Cb 0.32 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 3djf h ALA 156 CO 0.01 0.08 -2.36 1.19 0.00 0.00 0.00 179.25 178.17 3djf n PHE 157 N -3.53 0.07 -0.55 0.00 3.72 -0.66 -5.09 117.46 111.42 3djf n PHE 157 Ca -0.02 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3djf n PHE 157 Cb 0.18 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 37.71 3djf n PHE 157 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3djf n GLY 158 N 1.81 -1.25 3.90 1.37 0.00 -1.14 -3.87 105.19 106.01 3djf n GLY 158 Ca -0.34 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 3djf n GLY 158 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3djf s THR 159 N -2.18 3.86 0.10 2.61 -1.32 -1.26 -4.21 115.64 113.25 3djf s THR 159 Ca 0.00 0.34 -0.18 0.00 -1.21 0.00 0.00 61.69 60.64 3djf s THR 159 Cb 0.00 -3.56 -0.06 0.00 -1.51 0.00 0.00 72.50 67.37 3djf s THR 159 CO 0.00 -0.67 1.61 -0.09 -2.21 0.00 0.00 174.62 173.27 3djf h ARG 160 N -0.35 0.44 -3.19 7.08 9.65 -1.97 -3.38 114.38 122.66 3djf h ARG 160 Ca -0.45 -0.10 -0.65 0.00 -1.10 0.00 0.00 59.98 57.68 3djf h ARG 160 Cb 1.24 -0.06 -0.40 0.00 -1.39 0.00 0.00 29.97 29.36 3djf h ARG 160 CO 0.62 0.50 -0.44 -0.06 2.80 0.00 0.00 179.97 183.39 3djf s PHE 161 N -5.38 3.62 0.33 2.20 0.08 -1.26 -5.04 117.98 112.53 3djf s PHE 161 Ca -0.13 -3.22 -0.28 0.00 0.12 0.00 0.00 56.93 53.41 3djf s PHE 161 Cb 0.08 -2.88 -0.09 0.00 -0.57 0.00 0.00 43.02 39.56 3djf s PHE 161 CO 0.73 -0.62 1.15 -2.14 -0.10 0.00 0.00 175.22 174.23 3djf s PRO 162 N -1.27 4.41 0.35 0.24 0.02 -1.26 -5.05 135.00 132.44 3djf s PRO 162 Ca 0.24 1.85 -0.07 0.00 0.02 0.00 0.00 61.00 63.04 3djf s PRO 162 Cb -0.08 -2.99 -0.06 0.00 0.02 0.00 0.00 34.50 31.40 3djf s PRO 162 CO -0.13 -0.01 0.66 0.00 -0.33 0.00 0.00 177.00 177.18 3djf s ALA 163 N -1.27 3.50 -0.30 -1.55 0.00 -1.26 -5.01 121.76 115.87 3djf s ALA 163 Ca 0.49 -0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.12 3djf s ALA 163 Cb -0.32 -2.49 0.45 0.00 0.00 0.00 0.00 23.12 20.77 3djf s ALA 163 CO 0.41 0.11 1.28 1.28 0.00 0.00 0.00 175.76 178.84 3djf n LEU 164 N -1.14 4.56 0.03 0.00 4.77 -1.26 -4.91 117.00 119.05 3djf n LEU 164 Ca 0.00 -4.44 -0.06 0.00 -0.03 0.00 0.00 56.01 51.48 3djf n LEU 164 Cb 0.54 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3djf n LEU 164 CO 0.48 1.83 0.50 -1.28 -1.33 0.00 0.00 177.39 177.59 3djf h SER 165 N 1.79 -0.59 -1.81 -1.43 0.87 -2.04 -3.04 113.55 107.30 3djf h SER 165 Ca 0.29 0.06 -0.66 0.00 -1.23 0.00 0.00 61.79 60.25 3djf h SER 165 Cb 1.38 0.22 -0.36 0.00 -0.44 0.00 0.00 62.40 63.20 3djf h SER 165 CO 0.62 -0.20 -0.04 -3.20 -0.53 0.00 0.00 176.83 173.48 3djf n ASN 166 N -3.56 5.75 -0.35 6.23 5.15 -1.26 -4.85 115.26 122.36 3djf n ASN 166 Ca -0.03 -3.75 0.06 0.00 -0.60 0.00 0.00 54.58 50.26 3djf n ASN 166 Cb 0.15 -0.71 0.24 0.00 -0.53 0.00 0.00 39.78 38.93 3djf n ASN 166 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3djf h ALA 167 N 2.88 1.52 -2.91 5.20 0.00 -1.88 -3.21 119.26 120.86 3djf h ALA 167 Ca 0.38 0.01 -0.76 0.00 0.00 0.00 0.00 54.91 54.54 3djf h ALA 167 Cb 0.55 -0.23 -0.30 0.00 0.00 0.00 0.00 17.79 17.81 3djf h ALA 167 CO 1.05 0.27 -0.02 0.71 0.00 0.00 0.00 179.25 181.26 3djf s TYR 168 N -5.94 3.72 -0.50 0.00 1.51 -1.26 -4.27 117.35 110.60 3djf s TYR 168 Ca -0.12 -2.35 -0.47 0.00 -1.01 0.00 0.00 57.07 53.13 3djf s TYR 168 Cb 0.21 -3.60 -0.20 0.00 -0.11 0.00 0.00 41.96 38.27 3djf s TYR 168 CO 0.81 -0.92 1.65 -3.47 -1.11 0.00 0.00 175.55 172.50 3djf n ASP 169 N 3.58 1.19 0.17 2.29 2.03 -1.14 -4.81 116.55 119.86 3djf n ASP 169 Ca 0.14 1.15 0.05 0.00 0.52 0.00 0.00 54.79 56.64 3djf n ASP 169 Cb 0.43 -0.89 0.48 0.00 -0.72 0.00 0.00 41.12 40.43 3djf n ASP 169 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 3djf h ARG 170 N 5.36 0.13 -0.27 -0.67 0.11 -1.93 -2.02 114.38 115.10 3djf h ARG 170 Ca -0.41 -0.02 -0.17 0.00 0.10 0.00 0.00 59.98 59.47 3djf h ARG 170 Cb 1.37 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.43 3djf h ARG 170 CO 0.99 0.23 -0.50 -0.44 0.10 0.00 0.00 179.97 180.35 3djf h ASP 171 N 0.13 0.91 -0.63 0.08 3.32 -1.99 -1.17 116.42 117.07 3djf h ASP 171 Ca 0.03 -0.53 -0.06 0.00 0.02 0.00 0.00 57.03 56.48 3djf h ASP 171 Cb 0.24 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3djf h ASP 171 CO 0.01 1.27 0.15 -0.07 -1.72 0.00 0.00 179.24 178.88 3djf h LEU 172 N 0.58 0.95 -0.30 1.55 3.38 -1.83 -1.46 115.31 118.17 3djf h LEU 172 Ca 0.01 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.76 3djf h LEU 172 Cb 1.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3djf h LEU 172 CO 0.11 0.94 0.16 0.03 0.09 0.00 0.00 178.44 179.78 3djf h ARG 173 N 0.92 0.32 -0.33 1.13 3.08 -1.26 -0.74 114.38 117.51 3djf h ARG 173 Ca 0.20 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.25 3djf h ARG 173 Cb 0.37 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3djf h ARG 173 CO 0.00 0.21 0.16 -0.22 -1.07 0.00 0.00 179.97 179.06 3djf h LYS 174 N 0.33 0.33 -0.17 0.04 3.64 -1.06 -1.20 116.57 118.47 3djf h LYS 174 Ca 0.12 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3djf h LYS 174 Cb 0.03 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3djf h LYS 174 CO -0.08 0.22 0.04 1.25 -2.27 0.00 0.00 179.45 178.61 3djf h LEU 175 N 0.34 0.02 -0.59 5.20 5.85 -1.05 -1.10 115.31 123.97 3djf h LEU 175 Ca 0.14 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3djf h LEU 175 Cb 0.06 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3djf h LEU 175 CO -0.10 0.04 0.39 0.00 -0.34 0.00 0.00 178.44 178.43 3djf h ALA 176 N 1.12 0.75 -0.62 1.25 0.00 -0.79 -0.13 119.26 120.85 3djf h ALA 176 Ca 0.08 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3djf h ALA 176 Cb 0.07 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 3djf h ALA 176 CO -0.10 0.19 0.29 0.28 0.00 0.00 0.00 179.25 179.91 3djf h VAL 177 N 0.80 0.87 -0.64 0.00 2.07 -1.05 -1.85 116.25 116.46 3djf h VAL 177 Ca 0.22 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3djf h VAL 177 Cb -0.09 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 3djf h VAL 177 CO -0.05 0.10 0.36 1.56 0.02 0.00 0.00 177.57 179.56 3djf h GLN 178 N 0.53 0.88 -0.25 1.57 4.20 -0.09 -1.09 115.11 120.86 3djf h GLN 178 Ca 0.29 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 3djf h GLN 178 Cb 0.28 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3djf h GLN 178 CO -0.24 0.66 0.12 0.28 -0.67 0.00 0.00 178.83 178.98 3djf h VAL 179 N 0.87 1.14 -0.67 -0.54 2.07 -0.85 -1.72 116.25 116.55 3djf h VAL 179 Ca 0.23 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3djf h VAL 179 Cb 0.02 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3djf h VAL 179 CO -0.04 0.14 0.40 0.00 0.02 0.00 0.00 177.57 178.09 3djf h ALA 180 N 0.99 0.88 -0.33 1.67 0.00 -1.20 -1.97 119.26 119.30 3djf h ALA 180 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3djf h ALA 180 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3djf h ALA 180 CO -0.01 0.14 0.17 0.93 0.00 0.00 0.00 179.25 180.48 3djf h GLU 181 N 0.78 0.46 0.00 0.00 4.39 -0.88 -1.11 114.58 118.22 3djf h GLU 181 Ca 0.28 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3djf h GLU 181 Cb 0.07 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3djf h GLU 181 CO -0.13 0.41 0.00 1.05 -1.16 0.00 0.00 179.01 179.18 3djf h GLU 182 N 0.40 0.00 -0.66 2.33 4.11 -1.19 -2.72 114.58 116.84 3djf h GLU 182 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 3djf h GLU 182 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3djf h GLU 182 CO -0.02 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.15 3djf n ASN 183 N -2.49 4.65 -0.34 3.06 4.13 -0.75 -4.96 115.26 118.56 3djf n ASN 183 Ca 0.05 -2.38 -0.04 0.00 1.68 0.00 0.00 54.58 53.89 3djf n ASN 183 Cb 0.45 -0.57 -0.01 0.00 -1.54 0.00 0.00 39.78 38.11 3djf n ASN 183 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3djf n GLY 184 N 1.20 0.55 0.75 7.41 0.00 -0.90 -4.91 105.19 109.30 3djf n GLY 184 Ca 0.26 -0.85 0.05 0.00 0.00 0.00 0.00 46.02 45.48 3djf n GLY 184 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3djf n PHE 185 N -3.19 0.00 0.28 1.61 1.16 -0.47 -4.82 117.46 112.04 3djf n PHE 185 Ca -0.04 -0.78 0.14 0.00 -1.87 0.00 0.00 57.45 54.90 3djf n PHE 185 Cb 0.24 -0.16 0.77 0.00 -1.61 0.00 0.00 39.48 38.73 3djf n PHE 185 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 3djf h GLY 186 N 0.59 0.00 1.88 4.97 0.00 -1.72 -1.07 103.07 107.72 3djf h GLY 186 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3djf h GLY 186 CO 0.03 0.00 -0.07 1.16 0.00 0.00 0.00 176.54 177.66 3djf n ASN 187 N -2.68 0.31 0.04 0.19 6.94 -1.26 -2.98 115.26 115.82 3djf n ASN 187 Ca -0.02 0.44 0.12 0.00 -0.02 0.00 0.00 54.58 55.10 3djf n ASN 187 Cb 0.27 -0.49 0.12 0.00 -2.36 0.00 0.00 39.78 37.32 3djf n ASN 187 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3djf n LEU 188 N -1.75 0.65 -4.60 -4.53 4.77 -0.40 -4.93 117.00 106.20 3djf n LEU 188 Ca 0.06 0.10 -0.37 0.00 -0.03 0.00 0.00 56.01 55.78 3djf n LEU 188 Cb 0.37 -0.15 -0.11 0.00 -2.33 0.00 0.00 43.42 41.20 3djf n LEU 188 CO 0.29 0.00 -0.20 -0.69 -1.33 0.00 0.00 177.39 175.47 3djf s VAL 189 N -3.16 5.13 0.43 4.08 1.01 -1.16 -0.93 120.40 125.79 3djf s VAL 189 Ca 0.06 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.19 3djf s VAL 189 Cb 0.14 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 3djf s VAL 189 CO 0.75 0.32 0.02 -1.00 0.00 0.00 0.00 175.10 175.19 3djf s HIS 190 N 1.33 2.30 0.02 5.22 3.76 0.45 -5.00 115.29 123.39 3djf s HIS 190 Ca 0.07 -0.78 0.06 0.00 -0.15 0.00 0.00 55.06 54.26 3djf s HIS 190 Cb -0.15 -1.68 -0.02 0.00 1.11 0.00 0.00 32.58 31.84 3djf s HIS 190 CO 0.06 0.34 -0.18 -0.65 -0.85 0.00 0.00 174.74 173.47 3djf s GLN 191 N -3.76 1.30 0.11 1.40 -0.21 -1.26 -0.35 119.66 116.88 3djf s GLN 191 Ca 0.28 -0.79 -0.10 0.00 0.02 0.00 0.00 55.36 54.76 3djf s GLN 191 Cb 0.08 -1.34 0.04 0.00 1.00 0.00 0.00 33.01 32.78 3djf s GLN 191 CO 0.14 0.35 0.49 0.41 -2.12 0.00 0.00 175.29 174.56 3djf n GLY 192 N 2.13 1.05 3.70 3.09 0.00 -0.48 -4.91 105.19 109.77 3djf n GLY 192 Ca -0.16 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 3djf n GLY 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3djf s VAL 193 N -2.36 5.38 -0.22 1.61 1.01 -1.26 -1.68 120.40 122.88 3djf s VAL 193 Ca 0.11 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 3djf s VAL 193 Cb -0.02 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 3djf s VAL 193 CO 0.03 0.39 0.13 -0.47 0.00 0.00 0.00 175.10 175.19 3djf s TYR 194 N 0.70 3.32 -0.10 5.22 6.14 -0.97 -0.52 117.35 131.13 3djf s TYR 194 Ca 0.08 0.19 -0.02 0.00 0.64 0.00 0.00 57.07 57.96 3djf s TYR 194 Cb -0.12 -2.21 -0.03 0.00 0.42 0.00 0.00 41.96 40.02 3djf s TYR 194 CO 0.01 0.12 -0.04 0.54 0.64 0.00 0.00 175.55 176.82 3djf s VAL 195 N 0.79 3.97 -0.26 3.14 0.11 -0.49 -1.07 120.40 126.59 3djf s VAL 195 Ca 0.07 -0.36 -0.16 0.00 -2.93 0.00 0.00 61.98 58.60 3djf s VAL 195 Cb -0.13 -2.67 -0.03 0.00 -1.53 0.00 0.00 36.38 32.01 3djf s VAL 195 CO 0.02 0.57 0.41 -0.32 -3.33 0.00 0.00 175.10 172.45 3djf s MET 196 N -0.45 4.05 -0.21 1.54 1.75 -0.93 -2.23 119.30 122.82 3djf s MET 196 Ca 0.07 0.14 -0.15 0.00 -1.25 0.00 0.00 55.69 54.50 3djf s MET 196 Cb -0.12 -3.64 -0.04 0.00 2.84 0.00 0.00 34.83 33.87 3djf s MET 196 CO 0.02 -0.26 0.35 1.21 -0.65 0.00 0.00 175.02 175.70 3djf s ASN 197 N 1.52 6.37 0.41 1.11 2.47 0.59 -3.81 114.94 123.61 3djf s ASN 197 Ca 0.17 0.43 0.19 0.00 0.42 0.00 0.00 52.86 54.07 3djf s ASN 197 Cb -0.16 -2.21 1.10 0.00 -1.45 0.00 0.00 41.25 38.54 3djf s ASN 197 CO 0.09 -0.05 1.80 1.23 -3.72 0.00 0.00 177.10 176.45 3djf h GLY 198 N 7.65 1.06 0.00 1.21 0.00 -1.89 -3.36 103.07 107.73 3djf h GLY 198 Ca -0.36 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3djf h GLY 198 CO 0.70 -0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.77 3djf n GLY 199 N -1.50 -2.58 0.90 4.60 0.00 -1.26 -3.99 105.19 101.36 3djf n GLY 199 Ca 0.23 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.66 3djf n GLY 199 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3djf n PRO 200 N -0.42 2.16 -2.60 1.61 -0.05 -1.26 -4.89 135.00 129.55 3djf n PRO 200 Ca 0.00 -1.77 -0.37 0.00 -0.05 0.00 0.00 63.50 61.31 3djf n PRO 200 Cb 0.00 -1.44 -0.05 0.00 -0.05 0.00 0.00 33.50 31.96 3djf n PRO 200 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3djf s TYR 202 N -1.57 2.26 0.43 0.00 1.51 -1.26 -5.00 117.35 113.73 3djf s TYR 202 Ca 0.54 1.60 -0.24 0.00 -1.01 0.00 0.00 57.07 57.96 3djf s TYR 202 Cb -0.23 -3.31 -0.08 0.00 -0.11 0.00 0.00 41.96 38.24 3djf s TYR 202 CO 0.29 -2.21 1.14 -1.21 -1.11 0.00 0.00 175.55 172.44 3djf s GLU 203 N -4.14 3.92 0.80 -0.62 8.01 -1.26 -5.04 118.70 120.37 3djf s GLU 203 Ca 0.70 1.74 -0.11 0.00 0.01 0.00 0.00 54.97 57.30 3djf s GLU 203 Cb -0.24 -2.50 0.07 0.00 -4.31 0.00 0.00 34.13 27.15 3djf s GLU 203 CO 0.46 -0.41 1.09 0.95 0.01 0.00 0.00 175.26 177.36 3djf s THR 204 N -1.54 3.12 0.30 3.63 -4.23 -1.26 -4.85 115.64 110.82 3djf s THR 204 Ca 0.61 0.36 0.01 0.00 -1.18 0.00 0.00 61.69 61.49 3djf s THR 204 Cb -0.28 -3.05 0.28 0.00 1.34 0.00 0.00 72.50 70.79 3djf s THR 204 CO 0.34 -0.48 1.90 -0.65 -0.54 0.00 0.00 174.62 175.20 3djf h PRO 205 N -1.12 0.99 -0.62 3.99 0.11 -1.88 -1.41 132.00 132.04 3djf h PRO 205 Ca -0.47 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 3djf h PRO 205 Cb 1.26 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3djf h PRO 205 CO 0.58 0.65 0.09 0.00 -0.21 0.00 0.00 178.00 179.11 3djf h ALA 206 N 1.51 0.98 -0.37 -0.75 0.00 -1.87 -1.04 119.26 117.72 3djf h ALA 206 Ca 0.40 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3djf h ALA 206 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3djf h ALA 206 CO -0.16 0.64 -0.01 0.93 0.00 0.00 0.00 179.25 180.65 3djf h GLU 207 N 0.96 0.66 -0.21 0.00 5.08 -1.81 -1.08 114.58 118.19 3djf h GLU 207 Ca 0.19 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3djf h GLU 207 Cb 0.43 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3djf h GLU 207 CO 0.01 0.77 0.09 0.00 -1.00 0.00 0.00 179.01 178.88 3djf h THR 209 N 0.20 0.94 -0.48 0.00 2.02 -1.06 -0.55 112.91 113.97 3djf h THR 209 Ca 0.09 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 3djf h THR 209 Cb 0.03 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3djf h THR 209 CO -0.07 0.09 0.24 -0.03 0.37 0.00 0.00 175.52 176.12 3djf h MET 210 N 0.52 0.69 -0.71 6.66 -1.53 -0.81 -1.98 114.93 117.77 3djf h MET 210 Ca 0.24 -0.10 -0.05 0.00 -3.44 0.00 0.00 59.70 56.36 3djf h MET 210 Cb 0.16 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 31.05 3djf h MET 210 CO -0.17 0.57 0.25 -0.07 0.14 0.00 0.00 176.91 177.62 3djf h LEU 211 N 0.63 0.99 -0.24 3.39 3.38 -0.43 -0.68 115.31 122.35 3djf h LEU 211 Ca 0.17 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3djf h LEU 211 Cb 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3djf h LEU 211 CO -0.02 0.90 0.05 0.25 0.09 0.00 0.00 178.44 179.71 3djf h LEU 212 N 1.04 0.37 -1.36 1.67 5.85 -0.96 -1.88 115.31 120.04 3djf h LEU 212 Ca 0.23 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3djf h LEU 212 Cb 0.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3djf h LEU 212 CO -0.01 0.53 0.00 0.78 -0.34 0.00 0.00 178.44 179.40 3djf h ASN 213 N 0.20 0.00 0.79 1.25 2.35 -1.06 0.38 115.58 119.49 3djf h ASN 213 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3djf h ASN 213 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3djf h ASN 213 CO 0.00 0.00 0.00 0.23 -1.65 0.00 0.00 177.43 176.01 3djf n MET 214 N -2.57 0.01 -0.21 0.81 2.81 -0.29 -4.89 117.12 112.80 3djf n MET 214 Ca 0.00 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 3djf n MET 214 Cb 0.19 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3djf n MET 214 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3djf n GLY 215 N 0.90 0.88 3.82 3.03 0.00 0.12 -5.08 105.19 108.86 3djf n GLY 215 Ca 0.06 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 3djf n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djf n ASP 217 N 0.84 1.61 -4.08 0.00 8.00 0.32 -4.32 116.55 118.93 3djf n ASP 217 Ca -0.04 -0.11 -0.08 0.00 0.71 0.00 0.00 54.79 55.27 3djf n ASP 217 Cb 0.51 -0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.39 3djf n ASP 217 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3djf s VAL 218 N -2.51 0.30 -0.01 2.53 -7.23 -0.85 -0.38 120.40 112.25 3djf s VAL 218 Ca -0.30 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 58.31 3djf s VAL 218 Cb 0.08 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.82 3djf s VAL 218 CO 0.64 -0.82 -0.04 0.54 -0.31 0.00 0.00 175.10 175.10 3djf s VAL 219 N -3.14 0.36 0.08 1.32 0.11 -0.55 -1.39 120.40 117.19 3djf s VAL 219 Ca 0.01 -0.16 -0.02 0.00 -2.93 0.00 0.00 61.98 58.88 3djf s VAL 219 Cb 0.02 -0.33 0.01 0.00 -1.53 0.00 0.00 36.38 34.55 3djf s VAL 219 CO -0.06 0.12 0.14 0.61 -3.33 0.00 0.00 175.10 172.57 3djf n GLY 220 N 3.17 2.28 0.13 6.54 0.00 -0.95 -0.69 105.19 115.67 3djf n GLY 220 Ca -0.15 -1.22 0.05 0.00 0.00 0.00 0.00 46.02 44.70 3djf n GLY 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3djf n MET 221 N -0.11 1.30 -2.52 1.61 2.81 -1.26 -0.30 117.12 118.64 3djf n MET 221 Ca -0.01 -1.92 -0.05 0.00 -1.81 0.00 0.00 57.70 53.90 3djf n MET 221 Cb 0.12 -1.14 -0.02 0.00 -0.71 0.00 0.00 33.22 31.47 3djf n MET 221 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3djf n SER 222 N -0.88 -0.29 0.00 7.83 3.41 -1.26 -4.70 113.62 117.72 3djf n SER 222 Ca 0.09 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 3djf n SER 222 Cb 0.56 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 3djf n SER 222 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3djf n THR 223 N -0.18 0.00 -0.24 6.66 -1.04 -1.26 -4.62 114.28 113.59 3djf n THR 223 Ca 0.01 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.07 3djf n THR 223 Cb 0.18 0.00 0.16 0.00 -1.82 0.00 0.00 70.33 68.85 3djf n THR 223 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3djf h ILE 224 N 0.00 0.43 -0.63 12.58 2.04 -1.98 0.18 117.51 130.13 3djf h ILE 224 Ca 0.00 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.83 3djf h ILE 224 Cb 0.00 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 3djf h ILE 224 CO 0.00 0.03 0.38 -0.65 0.00 0.00 0.00 178.15 177.92 3djf h PRO 225 N 0.17 0.73 -0.50 2.37 0.11 -1.99 0.14 132.00 133.03 3djf h PRO 225 Ca 0.40 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.44 3djf h PRO 225 Cb 0.70 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 3djf h PRO 225 CO -0.58 0.48 0.22 0.93 -0.21 0.00 0.00 178.00 178.85 3djf h GLU 226 N 0.75 0.73 -0.37 1.05 3.07 -1.73 -1.48 114.58 116.60 3djf h GLU 226 Ca 0.25 -0.12 0.02 0.00 -0.50 0.00 0.00 59.36 59.02 3djf h GLU 226 Cb 0.03 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.79 3djf h GLU 226 CO -0.11 0.62 0.21 0.28 -1.40 0.00 0.00 179.01 178.61 3djf h VAL 227 N 0.66 1.02 -0.33 3.13 2.07 -0.45 0.12 116.25 122.47 3djf h VAL 227 Ca 0.17 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.57 3djf h VAL 227 Cb 0.15 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3djf h VAL 227 CO -0.02 0.08 0.14 0.58 0.02 0.00 0.00 177.57 178.37 3djf h VAL 228 N 0.43 0.94 -0.68 2.57 2.07 -0.56 0.10 116.25 121.11 3djf h VAL 228 Ca 0.15 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 3djf h VAL 228 Cb 0.02 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3djf h VAL 228 CO -0.08 0.05 0.24 0.40 0.02 0.00 0.00 177.57 178.20 3djf h ILE 229 N 0.29 1.24 0.17 4.57 1.08 -0.87 -1.34 117.51 122.66 3djf h ILE 229 Ca 0.14 -0.80 -0.01 0.00 -0.39 0.00 0.00 64.86 63.81 3djf h ILE 229 Cb 0.09 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 3djf h ILE 229 CO -0.13 0.32 -0.08 0.00 -0.69 0.00 0.00 178.15 177.57 3djf h ALA 230 N 1.27 -0.23 -0.99 1.87 0.00 -0.18 -2.79 119.26 118.21 3djf h ALA 230 Ca 0.22 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3djf h ALA 230 Cb 0.24 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3djf h ALA 230 CO -0.01 -0.53 0.65 0.00 0.00 0.00 0.00 179.25 179.36 3djf h ARG 231 N -0.42 1.29 -0.92 0.00 2.47 -0.93 -0.02 114.38 115.85 3djf h ARG 231 Ca -0.02 -0.08 0.12 0.00 -1.26 0.00 0.00 59.98 58.74 3djf h ARG 231 Cb 0.33 -0.29 -0.07 0.00 -1.65 0.00 0.00 29.97 28.29 3djf h ARG 231 CO 0.04 0.85 0.59 1.25 0.56 0.00 0.00 179.97 183.26 3djf h HIS 232 N 1.33 0.95 -0.51 3.04 2.76 -1.06 0.02 115.15 121.67 3djf h HIS 232 Ca 0.37 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.48 3djf h HIS 232 Cb -0.14 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 28.47 3djf h HIS 232 CO -0.00 0.39 0.08 0.00 -1.30 0.00 0.00 177.93 177.10 3djf n GLY 234 N -0.10 0.18 3.78 0.00 0.00 -0.01 -5.01 105.19 104.04 3djf n GLY 234 Ca 0.30 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 3djf n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djf s ILE 235 N -2.39 4.96 0.29 -0.61 1.01 -0.09 -4.99 121.20 119.38 3djf s ILE 235 Ca 0.00 1.08 -0.29 0.00 0.00 0.00 0.00 60.65 61.45 3djf s ILE 235 Cb 0.00 -3.85 -0.09 0.00 0.01 0.00 0.00 42.46 38.53 3djf s ILE 235 CO 0.00 0.47 1.03 -1.10 0.00 0.00 0.00 174.94 175.33 3djf s GLN 236 N -0.42 4.64 -0.05 2.79 -0.21 -0.45 -4.06 119.66 121.90 3djf s GLN 236 Ca 0.28 1.62 0.06 0.00 0.02 0.00 0.00 55.36 57.34 3djf s GLN 236 Cb -0.17 -3.09 -0.01 0.00 1.00 0.00 0.00 33.01 30.73 3djf s GLN 236 CO 0.15 0.27 -0.25 0.08 -2.12 0.00 0.00 175.29 173.42 3djf s VAL 237 N -1.28 2.06 -0.06 1.09 1.01 -1.26 0.29 120.40 122.25 3djf s VAL 237 Ca 0.46 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.39 3djf s VAL 237 Cb -0.27 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.38 3djf s VAL 237 CO 0.35 0.57 -0.11 0.12 0.00 0.00 0.00 175.10 176.03 3djf s PHE 238 N -0.22 1.31 -0.08 5.22 2.19 0.01 -2.87 117.98 123.54 3djf s PHE 238 Ca -0.02 -0.45 -0.05 0.00 0.33 0.00 0.00 56.93 56.74 3djf s PHE 238 Cb -0.13 -0.97 0.03 0.00 -1.31 0.00 0.00 43.02 40.64 3djf s PHE 238 CO 0.03 -0.24 0.20 0.00 1.83 0.00 0.00 175.22 177.05 3djf s ALA 239 N 0.61 -0.45 0.01 11.12 0.00 -1.26 -0.76 121.76 131.03 3djf s ALA 239 Ca -0.12 0.75 0.06 0.00 0.00 0.00 0.00 51.96 52.65 3djf s ALA 239 Cb -0.15 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3djf s ALA 239 CO 0.03 -0.15 -0.17 0.08 0.00 0.00 0.00 175.76 175.55 3djf s VAL 240 N 0.84 1.35 -0.14 0.00 1.01 -0.58 -0.63 120.40 122.25 3djf s VAL 240 Ca -0.06 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 3djf s VAL 240 Cb -0.08 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3djf s VAL 240 CO -0.05 0.27 0.07 -0.44 0.00 0.00 0.00 175.10 174.96 3djf s SER 241 N -0.68 5.79 -0.21 3.32 0.01 -0.12 -1.58 113.70 120.23 3djf s SER 241 Ca 0.06 0.23 -0.16 0.00 1.31 0.00 0.00 55.95 57.39 3djf s SER 241 Cb -0.07 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 3djf s SER 241 CO 0.00 0.30 0.40 -0.22 0.41 0.00 0.00 173.24 174.14 3djf s LEU 242 N -0.41 4.14 -0.65 2.44 0.20 0.08 -0.12 118.68 124.36 3djf s LEU 242 Ca 0.10 0.49 -0.27 0.00 0.69 0.00 0.00 54.13 55.14 3djf s LEU 242 Cb -0.12 -2.51 0.01 0.00 -0.43 0.00 0.00 46.19 43.14 3djf s LEU 242 CO 0.02 -0.10 1.50 -0.69 -0.29 0.00 0.00 176.35 176.79 3djf s VAL 243 N 1.43 3.62 -2.38 1.68 1.01 -0.22 -1.31 120.40 124.24 3djf s VAL 243 Ca 0.19 0.41 0.26 0.00 0.00 0.00 0.00 61.98 62.83 3djf s VAL 243 Cb -0.15 -4.49 0.30 0.00 0.00 0.00 0.00 36.38 32.05 3djf s VAL 243 CO 0.08 -1.39 1.47 0.35 0.00 0.00 0.00 175.10 175.62 3djf n THR 244 N 6.76 0.00 -3.57 3.92 -2.24 -0.81 -0.71 114.28 117.64 3djf n THR 244 Ca 0.11 -0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 3djf n THR 244 Cb 0.50 0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 69.54 3djf n THR 244 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3djf s ASN 245 N -2.19 -0.31 -0.25 3.42 4.22 -1.25 -4.43 114.94 114.14 3djf s ASN 245 Ca 0.29 0.23 -0.16 0.00 -2.14 0.00 0.00 52.86 51.09 3djf s ASN 245 Cb 0.20 0.28 -0.04 0.00 1.28 0.00 0.00 41.25 42.97 3djf s ASN 245 CO 0.41 -0.37 0.40 -0.63 -2.04 0.00 0.00 177.10 174.87 3djf s ILE 246 N -1.73 5.17 0.27 0.54 -1.09 -1.26 -0.73 121.20 122.37 3djf s ILE 246 Ca 0.02 0.65 -0.31 0.00 -2.23 0.00 0.00 60.65 58.78 3djf s ILE 246 Cb -0.01 -3.72 -0.12 0.00 -1.58 0.00 0.00 42.46 37.03 3djf s ILE 246 CO -0.02 0.18 1.55 -1.20 -1.23 0.00 0.00 174.94 174.22 3djf n SER 247 N 5.08 3.56 -4.63 3.58 7.64 -0.50 -4.84 113.62 123.51 3djf n SER 247 Ca -0.08 1.14 -0.40 0.00 1.01 0.00 0.00 58.87 60.54 3djf n SER 247 Cb 0.51 -1.55 -0.07 0.00 -1.01 0.00 0.00 64.21 62.10 3djf n SER 247 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3djf s VAL 248 N 0.06 5.02 -1.28 0.44 1.01 -1.26 -4.93 120.40 119.46 3djf s VAL 248 Ca 0.66 1.07 0.22 0.00 0.00 0.00 0.00 61.98 63.93 3djf s VAL 248 Cb -0.54 -3.91 -0.16 0.00 0.00 0.00 0.00 36.38 31.78 3djf s VAL 248 CO 0.48 0.06 0.98 0.18 0.00 0.00 0.00 175.10 176.80 3djf n LEU 249 N 5.51 1.25 -4.29 3.92 4.77 -1.26 -4.01 117.00 122.89 3djf n LEU 249 Ca -0.02 -0.55 -0.33 0.00 -0.03 0.00 0.00 56.01 55.09 3djf n LEU 249 Cb 0.49 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.42 3djf n LEU 249 CO 0.42 0.28 -0.48 -0.62 -1.33 0.00 0.00 177.39 175.66 3djf s ASP 250 N -2.86 3.68 0.54 -1.43 3.68 -1.26 -4.62 116.67 114.40 3djf s ASP 250 Ca 0.11 -0.44 0.28 0.00 2.13 0.00 0.00 52.55 54.63 3djf s ASP 250 Cb 0.17 -1.56 1.56 0.00 -1.45 0.00 0.00 42.92 41.64 3djf s ASP 250 CO 0.78 0.11 2.12 -0.37 0.13 0.00 0.00 175.17 177.95 3djf h VAL 251 N 5.60 0.54 0.00 1.11 -1.51 -1.93 -2.77 116.25 117.30 3djf h VAL 251 Ca -0.29 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 3djf h VAL 251 Cb 1.20 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 3djf h VAL 251 CO 0.55 0.08 0.00 -0.62 -1.23 0.00 0.00 177.57 176.36 3djf n GLU 252 N -3.67 0.21 -1.21 5.19 -0.58 -1.26 -4.88 120.64 114.42 3djf n GLU 252 Ca -0.02 0.19 -0.30 0.00 -0.42 0.00 0.00 57.16 56.61 3djf n GLU 252 Cb 0.20 -1.75 0.13 0.00 -0.57 0.00 0.00 31.44 29.44 3djf n GLU 252 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3djf s SER 253 N -4.22 3.74 0.00 1.62 0.01 -1.05 -4.98 113.70 108.83 3djf s SER 253 Ca 0.11 1.58 0.06 0.00 1.31 0.00 0.00 55.95 59.01 3djf s SER 253 Cb 0.13 -2.27 0.02 0.00 0.21 0.00 0.00 66.02 64.12 3djf s SER 253 CO 0.57 -2.48 0.59 -0.67 0.41 0.00 0.00 173.24 171.65 3djf n ASP 254 N -3.79 1.23 -4.77 2.44 2.03 -1.26 -4.99 116.55 107.44 3djf n ASP 254 Ca 0.08 -1.11 -0.37 0.00 0.52 0.00 0.00 54.79 53.90 3djf n ASP 254 Cb 0.55 0.23 0.00 0.00 -0.72 0.00 0.00 41.12 41.18 3djf n ASP 254 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3djf s LEU 255 N -0.93 3.99 -0.01 -2.67 2.01 -1.26 -5.05 118.68 114.75 3djf s LEU 255 Ca 0.06 2.42 -0.20 0.00 0.01 0.00 0.00 54.13 56.43 3djf s LEU 255 Cb 0.05 -4.23 0.04 0.00 0.01 0.00 0.00 46.19 42.06 3djf s LEU 255 CO 0.11 -1.05 0.42 -1.59 1.01 0.00 0.00 176.35 175.25 3djf s LYS 256 N -2.71 0.81 0.14 1.70 -2.85 -1.26 -4.97 119.74 110.59 3djf s LYS 256 Ca 0.65 -0.10 -0.31 0.00 -1.00 0.00 0.00 55.97 55.20 3djf s LYS 256 Cb -0.32 0.37 -0.09 0.00 -2.06 0.00 0.00 37.83 35.73 3djf s LYS 256 CO 0.38 -0.24 1.57 -2.14 0.10 0.00 0.00 175.35 175.02 3djf s PRO 257 N -1.48 4.22 -0.16 1.78 0.02 -1.26 -5.00 135.00 133.13 3djf s PRO 257 Ca -0.12 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.23 3djf s PRO 257 Cb -0.03 -3.27 0.03 0.00 0.02 0.00 0.00 34.50 31.25 3djf s PRO 257 CO 0.05 -0.62 -0.12 1.21 -0.33 0.00 0.00 177.00 177.19 3djf s ASN 258 N 1.44 2.78 0.51 2.53 3.84 -1.26 -5.02 114.94 119.74 3djf s ASN 258 Ca 0.70 -0.56 0.16 0.00 0.21 0.00 0.00 52.86 53.38 3djf s ASN 258 Cb -0.42 -1.13 1.23 0.00 -0.55 0.00 0.00 41.25 40.37 3djf s ASN 258 CO 0.31 -0.09 2.12 -0.74 -2.79 0.00 0.00 177.10 175.91 3djf h HIS 259 N 8.06 0.00 -0.31 0.43 -0.00 -1.99 -0.38 115.15 120.96 3djf h HIS 259 Ca -0.34 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 59.89 3djf h HIS 259 Cb 1.13 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.53 3djf h HIS 259 CO 0.48 0.04 -0.35 1.49 -0.00 0.00 0.00 177.93 179.60 3djf h GLU 260 N 0.00 0.70 -0.01 5.26 4.57 -1.99 -0.84 114.58 122.27 3djf h GLU 260 Ca -0.00 -0.33 -0.15 0.00 -1.18 0.00 0.00 59.36 57.70 3djf h GLU 260 Cb 0.08 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 3djf h GLU 260 CO 0.01 0.94 -0.68 0.93 -1.18 0.00 0.00 179.01 179.03 3djf h GLU 261 N 0.58 0.05 0.03 1.92 5.08 -1.57 -1.74 114.58 118.93 3djf h GLU 261 Ca 0.06 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3djf h GLU 261 Cb 0.87 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3djf h GLU 261 CO 0.08 0.71 -0.01 0.28 -1.00 0.00 0.00 179.01 179.06 3djf h VAL 262 N 0.04 1.13 -0.97 3.13 2.07 -0.95 -2.01 116.25 118.68 3djf h VAL 262 Ca -0.01 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.02 3djf h VAL 262 Cb 1.20 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 32.39 3djf h VAL 262 CO 0.09 0.13 0.64 -0.07 0.02 0.00 0.00 177.57 178.38 3djf h LEU 263 N -0.26 1.12 -0.32 2.57 3.38 -1.05 -2.50 115.31 118.24 3djf h LEU 263 Ca -0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3djf h LEU 263 Cb 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3djf h LEU 263 CO 0.01 0.81 -0.03 0.00 0.09 0.00 0.00 178.44 179.32 3djf h ALA 264 N 1.39 0.44 -0.46 1.53 0.00 -1.23 -2.28 119.26 118.64 3djf h ALA 264 Ca 0.36 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3djf h ALA 264 Cb -0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3djf h ALA 264 CO -0.08 0.23 0.28 1.15 0.00 0.00 0.00 179.25 180.83 3djf h THR 265 N 0.38 1.06 -0.54 0.00 2.02 -1.23 -1.44 112.91 113.17 3djf h THR 265 Ca 0.09 -0.19 0.10 0.00 0.77 0.00 0.00 66.41 67.18 3djf h THR 265 Cb 0.49 0.45 -0.08 0.00 -1.74 0.00 0.00 68.15 67.26 3djf h THR 265 CO 0.02 0.10 0.05 1.23 0.37 0.00 0.00 175.52 177.29 3djf h GLY 266 N 0.57 0.61 2.00 2.16 0.00 -1.30 -1.81 103.07 105.29 3djf h GLY 266 Ca 0.18 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 3djf h GLY 266 CO -0.08 -0.13 -0.29 0.00 0.00 0.00 0.00 176.54 176.05 3djf h ALA 267 N 1.46 1.23 -0.32 3.60 0.00 -0.95 -2.01 119.26 122.27 3djf h ALA 267 Ca 0.28 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3djf h ALA 267 Cb 0.41 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3djf h ALA 267 CO -0.41 0.36 -0.47 0.37 0.00 0.00 0.00 179.25 179.09 3djf h GLN 268 N 0.00 0.86 -0.02 0.00 5.75 -0.42 -3.21 115.11 118.06 3djf h GLN 268 Ca -0.00 -0.50 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 3djf h GLN 268 Cb 0.62 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.21 3djf h GLN 268 CO 0.04 1.14 -0.24 0.54 -2.65 0.00 0.00 178.83 177.65 3djf n ARG 269 N -4.02 1.45 -0.23 1.69 5.12 -0.99 -4.51 116.66 115.16 3djf n ARG 269 Ca -0.03 -1.08 0.00 0.00 -1.93 0.00 0.00 57.85 54.81 3djf n ARG 269 Cb 0.59 -1.48 0.12 0.00 -1.16 0.00 0.00 32.46 30.53 3djf n ARG 269 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3djf h ALA 270 N 4.10 0.91 -0.54 7.54 0.00 -1.37 0.90 119.26 130.80 3djf h ALA 270 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3djf h ALA 270 Cb 0.71 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3djf h ALA 270 CO 0.00 -0.05 0.13 1.49 0.00 0.00 0.00 179.25 180.82 3djf h GLU 271 N 0.58 0.86 -0.35 0.00 4.81 -1.81 0.18 114.58 118.85 3djf h GLU 271 Ca 0.32 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3djf h GLU 271 Cb 0.32 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3djf h GLU 271 CO -0.25 0.81 0.07 1.25 -0.73 0.00 0.00 179.01 180.16 3djf h LEU 272 N 0.76 0.55 -0.59 1.64 5.85 -1.65 -1.45 115.31 120.42 3djf h LEU 272 Ca 0.17 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 3djf h LEU 272 Cb 0.33 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3djf h LEU 272 CO 0.00 0.65 0.09 -0.03 -0.34 0.00 0.00 178.44 178.81 3djf h MET 273 N 0.42 0.98 0.05 1.25 4.05 -0.63 -0.46 114.93 120.59 3djf h MET 273 Ca 0.11 -0.27 0.01 0.00 -0.28 0.00 0.00 59.70 59.27 3djf h MET 273 Cb 0.33 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 3djf h MET 273 CO 0.00 0.93 -0.09 0.37 0.23 0.00 0.00 176.91 178.36 3djf h GLN 274 N 0.88 -0.17 -0.88 0.39 4.15 -0.82 -1.18 115.11 117.48 3djf h GLN 274 Ca 0.18 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.69 3djf h GLN 274 Cb 0.44 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.10 3djf h GLN 274 CO 0.01 -0.11 0.54 1.03 -1.93 0.00 0.00 178.83 178.37 3djf h SER 275 N -0.18 0.83 -0.26 -0.69 0.87 -0.96 0.30 113.55 113.46 3djf h SER 275 Ca 0.02 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3djf h SER 275 Cb 0.19 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3djf h SER 275 CO -0.05 0.50 0.13 -0.25 -0.53 0.00 0.00 176.83 176.63 3djf h TRP 276 N 0.95 0.38 -0.64 2.24 7.01 -0.67 0.16 115.95 125.38 3djf h TRP 276 Ca 0.40 -0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.32 3djf h TRP 276 Cb 0.26 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.17 3djf h TRP 276 CO -0.03 0.36 0.14 0.74 -2.79 0.00 0.00 178.44 176.86 3djf h PHE 277 N 0.29 1.07 -0.55 2.65 -1.00 -0.78 -0.69 116.94 117.93 3djf h PHE 277 Ca 0.09 -0.12 -0.02 0.00 2.81 0.00 0.00 57.97 60.73 3djf h PHE 277 Cb 0.12 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.35 3djf h PHE 277 CO -0.02 0.89 0.28 0.93 -1.61 0.00 0.00 178.31 178.78 3djf h GLU 278 N 0.97 0.79 0.00 1.51 5.08 -0.54 -1.35 114.58 121.04 3djf h GLU 278 Ca 0.20 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3djf h GLU 278 Cb 0.37 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3djf h GLU 278 CO 0.00 0.63 -0.42 0.87 -1.00 0.00 0.00 179.01 179.09 3djf h LYS 279 N 0.75 0.00 0.24 2.33 1.57 -0.75 -2.58 116.57 118.13 3djf h LYS 279 Ca 0.19 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3djf h LYS 279 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3djf h LYS 279 CO -0.03 0.42 -0.12 0.82 -0.57 0.00 0.00 179.45 179.98 3djf h ILE 280 N 0.00 0.82 -0.74 1.86 2.04 -0.88 -3.20 117.51 117.41 3djf h ILE 280 Ca -0.00 -0.61 0.11 0.00 1.00 0.00 0.00 64.86 65.35 3djf h ILE 280 Cb 1.13 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 3djf h ILE 280 CO 0.06 0.13 0.49 0.40 0.00 0.00 0.00 178.15 179.22 3djf h ILE 281 N -0.65 0.89 0.00 -0.67 2.04 -1.18 0.51 117.51 118.45 3djf h ILE 281 Ca -0.03 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3djf h ILE 281 Cb 0.46 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3djf h ILE 281 CO 0.05 0.10 -0.08 -0.08 0.00 0.00 0.00 178.15 178.15 3djf h GLU 282 N 0.58 0.00 -0.02 2.37 4.81 -1.46 -2.81 114.58 118.05 3djf h GLU 282 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 3djf h GLU 282 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3djf h GLU 282 CO -0.13 0.08 -0.09 1.63 -0.73 0.00 0.00 179.01 179.78 3djf n LYS 283 N -3.44 1.45 -1.70 1.92 5.02 0.13 -4.99 118.16 116.55 3djf n LYS 283 Ca -0.01 -1.33 -0.44 0.00 -2.02 0.00 0.00 58.31 54.51 3djf n LYS 283 Cb 0.23 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 3djf n LYS 283 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3djf n LEU 284 N 0.67 3.68 -4.69 -0.35 4.77 -0.95 -4.88 117.00 115.25 3djf n LEU 284 Ca 0.09 1.09 -0.44 0.00 -0.03 0.00 0.00 56.01 56.72 3djf n LEU 284 Cb 0.40 -1.52 -0.04 0.00 -2.33 0.00 0.00 43.42 39.94 3djf n LEU 284 CO 0.13 -0.04 1.38 -2.65 -1.33 0.00 0.00 177.39 174.88 3djf n PRO 285 N 3.25 2.56 -3.68 3.23 -0.02 -1.26 -4.95 135.00 134.13 3djf n PRO 285 Ca 0.14 0.93 -0.37 0.00 -2.02 0.00 0.00 63.50 62.18 3djf n PRO 285 Cb 0.33 -2.77 -0.10 0.00 -0.02 0.00 0.00 33.50 30.93 3djf n PRO 285 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3djf s LYS 286 N 2.01 3.97 0.00 -0.52 2.20 -1.26 -5.22 119.74 120.92 3djf s LYS 286 Ca 0.81 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.09 3djf s LYS 286 Cb -0.56 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 3djf s LYS 286 CO 0.38 -0.03 0.00 -0.25 -0.36 0.00 0.00 175.35 175.09