#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wks s LYS 2 N 0.00 4.22 -0.15 2.12 1.02 -1.26 -1.10 119.74 124.58 2wks s LYS 2 Ca 0.00 0.32 -0.02 0.00 0.02 0.00 0.00 55.97 56.29 2wks s LYS 2 Cb 0.00 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 2wks s LYS 2 CO 0.00 -0.02 -0.08 0.42 -0.92 0.00 0.00 175.35 174.76 2wks s ILE 3 N 1.22 3.48 -0.26 2.17 -1.09 -0.62 -0.86 121.20 125.24 2wks s ILE 3 Ca 0.22 -0.50 -0.16 0.00 -2.23 0.00 0.00 60.65 57.98 2wks s ILE 3 Cb -0.15 -2.51 -0.03 0.00 -1.58 0.00 0.00 42.46 38.19 2wks s ILE 3 CO 0.09 0.50 0.41 -0.22 -1.23 0.00 0.00 174.94 174.48 2wks s LEU 4 N 0.49 4.05 -0.34 2.97 2.96 -0.78 -1.52 118.68 126.50 2wks s LEU 4 Ca -0.06 0.35 -0.12 0.00 -0.22 0.00 0.00 54.13 54.09 2wks s LEU 4 Cb -0.15 -2.48 -0.00 0.00 0.50 0.00 0.00 46.19 44.05 2wks s LEU 4 CO 0.03 -0.20 0.21 -0.69 -1.32 0.00 0.00 176.35 174.39 2wks s VAL 5 N 2.09 4.96 -0.21 1.68 1.01 -0.16 -1.13 120.40 128.64 2wks s VAL 5 Ca 0.17 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 2wks s VAL 5 Cb -0.16 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2wks s VAL 5 CO 0.10 -0.05 0.04 -0.63 0.00 0.00 0.00 175.10 174.56 2wks s ILE 6 N 1.66 4.26 -0.22 2.22 1.01 0.21 -0.80 121.20 129.55 2wks s ILE 6 Ca 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.47 2wks s ILE 6 Cb -0.18 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.35 2wks s ILE 6 CO 0.09 0.41 -0.07 -1.10 0.00 0.00 0.00 174.94 174.26 2wks s GLN 7 N 1.04 3.23 0.00 2.79 -1.52 0.77 -1.02 119.66 124.95 2wks s GLN 7 Ca 0.03 -0.71 0.00 0.00 -1.95 0.00 0.00 55.36 52.73 2wks s GLN 7 Cb -0.14 -2.95 0.00 0.00 -0.22 0.00 0.00 33.01 29.70 2wks s GLN 7 CO 0.02 -0.24 0.00 0.41 -0.25 0.00 0.00 175.29 175.24 2wks n GLY 8 N 4.75 -1.33 3.69 3.09 0.00 0.79 -1.52 105.19 114.66 2wks n GLY 8 Ca -0.18 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 2wks n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wks n PRO 9 N -0.75 1.67 0.00 1.61 -0.04 -0.99 -3.03 135.00 133.46 2wks n PRO 9 Ca 0.00 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 2wks n PRO 9 Cb 0.00 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 2wks n PRO 9 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wks n ASN 10 N -0.16 0.00 0.26 3.54 3.02 -1.26 -4.63 115.26 116.03 2wks n ASN 10 Ca 0.09 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.77 2wks n ASN 10 Cb 0.42 -0.46 0.65 0.00 -0.61 0.00 0.00 39.78 39.77 2wks n ASN 10 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2wks h LEU 11 N 0.00 0.00 -1.09 3.41 3.38 -1.89 -1.26 115.31 117.86 2wks h LEU 11 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wks h LEU 11 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wks h LEU 11 CO 0.00 0.12 0.00 -0.55 0.09 0.00 0.00 178.44 178.10 2wks h ASN 12 N 0.00 0.00 0.26 -0.43 -1.07 -1.87 -2.67 115.58 109.79 2wks h ASN 12 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2wks h ASN 12 Cb 0.51 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.76 2wks h ASN 12 CO 0.02 0.00 -0.10 0.23 0.07 0.00 0.00 177.43 177.64 2wks n MET 13 N -2.46 0.88 -1.60 4.14 2.81 -0.47 -4.78 117.12 115.63 2wks n MET 13 Ca 0.01 -0.34 -0.42 0.00 -1.81 0.00 0.00 57.70 55.13 2wks n MET 13 Cb 0.21 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 2wks n MET 13 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2wks n LEU 14 N -0.76 2.23 0.00 4.03 4.77 -1.01 -3.53 117.00 122.73 2wks n LEU 14 Ca 0.16 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.22 2wks n LEU 14 Cb 0.28 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 2wks n LEU 14 CO 0.22 -1.48 0.00 0.61 -1.33 0.00 0.00 177.39 175.41 2wks n GLY 15 N 1.21 0.78 0.41 -0.72 0.00 -1.23 -4.37 105.19 101.27 2wks n GLY 15 Ca 0.09 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.32 2wks n GLY 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2wks h HIS 16 N 0.00 0.54 -0.03 1.61 3.86 -1.84 0.48 115.15 119.77 2wks h HIS 16 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2wks h HIS 16 Cb 0.00 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.31 2wks h HIS 16 CO 0.00 0.12 -0.10 0.54 0.86 0.00 0.00 177.93 179.34 2wks n ARG 17 N -4.52 2.03 -4.48 2.45 5.12 -1.26 -5.00 116.66 110.99 2wks n ARG 17 Ca 0.21 -1.70 -0.42 0.00 -1.93 0.00 0.00 57.85 54.02 2wks n ARG 17 Cb 0.77 -1.45 -0.08 0.00 -1.16 0.00 0.00 32.46 30.54 2wks n ARG 17 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2wks n ASP 18 N 1.02 -1.89 -1.89 0.55 3.85 0.16 -4.84 116.55 113.51 2wks n ASP 18 Ca 0.13 -1.19 -0.02 0.00 -0.71 0.00 0.00 54.79 53.00 2wks n ASP 18 Cb 0.56 -1.65 -0.02 0.00 -1.35 0.00 0.00 41.12 38.66 2wks n ASP 18 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 2wks n PRO 19 N -4.04 0.61 0.00 0.11 -0.02 -1.26 -4.81 135.00 125.59 2wks n PRO 19 Ca 0.11 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2wks n PRO 19 Cb 0.45 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 2wks n PRO 19 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2wks n ARG 20 N 2.02 0.00 -0.20 -0.52 3.00 -1.26 -4.38 116.66 115.32 2wks n ARG 20 Ca 0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.85 2wks n ARG 20 Cb 0.29 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.80 2wks n ARG 20 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2wks h LEU 21 N 0.00 0.57 0.00 6.15 4.07 -2.04 -3.22 115.31 120.85 2wks h LEU 21 Ca 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.78 2wks h LEU 21 Cb 0.00 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.59 2wks h LEU 21 CO 0.00 0.40 -1.77 -1.22 -1.08 0.00 0.00 178.44 174.78 2wks n TYR 22 N -4.75 0.55 0.00 1.13 4.02 -1.26 -4.93 117.16 111.92 2wks n TYR 22 Ca 0.05 0.18 0.00 0.00 -0.01 0.00 0.00 57.90 58.12 2wks n TYR 22 Cb 0.07 -0.95 0.00 0.00 -0.02 0.00 0.00 39.34 38.45 2wks n TYR 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wks n GLY 23 N 1.45 -0.10 0.00 2.72 0.00 -1.22 -4.83 105.19 103.22 2wks n GLY 23 Ca -0.14 -2.11 0.04 0.00 0.00 0.00 0.00 46.02 43.81 2wks n GLY 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wks n MET 24 N 0.00 2.24 -2.91 1.61 2.81 -1.26 -3.98 117.12 115.63 2wks n MET 24 Ca 0.00 -0.04 -0.40 0.00 -1.81 0.00 0.00 57.70 55.45 2wks n MET 24 Cb 0.00 -1.05 -0.05 0.00 -0.71 0.00 0.00 33.22 31.41 2wks n MET 24 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2wks s VAL 25 N -2.20 4.64 0.69 2.03 1.01 -1.26 -4.60 120.40 120.70 2wks s VAL 25 Ca 0.00 1.77 -0.09 0.00 0.00 0.00 0.00 61.98 63.65 2wks s VAL 25 Cb 0.06 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.29 2wks s VAL 25 CO 0.35 0.36 1.04 0.42 0.00 0.00 0.00 175.10 177.28 2wks s THR 26 N -0.12 3.19 0.19 3.92 -4.23 -1.26 -3.56 115.64 113.76 2wks s THR 26 Ca 0.41 0.19 -0.10 0.00 -1.18 0.00 0.00 61.69 61.01 2wks s THR 26 Cb -0.22 -3.35 0.10 0.00 1.34 0.00 0.00 72.50 70.38 2wks s THR 26 CO 0.25 -0.42 1.73 0.25 -0.54 0.00 0.00 174.62 175.89 2wks h LEU 27 N -0.57 0.95 -0.45 4.79 5.85 -1.79 -0.51 115.31 123.57 2wks h LEU 27 Ca -0.45 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.13 2wks h LEU 27 Cb 1.27 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 2wks h LEU 27 CO 0.63 0.88 0.19 0.44 -0.34 0.00 0.00 178.44 180.23 2wks h ASP 28 N 0.96 0.23 -0.77 1.25 3.32 -1.94 -0.73 116.42 118.74 2wks h ASP 28 Ca 0.22 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.34 2wks h ASP 28 Cb 0.25 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 2wks h ASP 28 CO -0.01 0.17 0.51 1.56 -1.72 0.00 0.00 179.24 179.75 2wks h GLN 29 N 0.38 0.93 -0.39 3.56 4.20 -1.81 0.25 115.11 122.22 2wks h GLN 29 Ca 0.20 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2wks h GLN 29 Cb 0.17 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2wks h GLN 29 CO -0.18 0.61 0.19 0.82 -0.67 0.00 0.00 178.83 179.60 2wks h ILE 30 N 0.96 1.17 -0.39 2.54 2.04 -0.32 -0.78 117.51 122.74 2wks h ILE 30 Ca 0.31 -0.48 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 2wks h ILE 30 Cb 0.03 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2wks h ILE 30 CO -0.09 0.18 -0.07 0.45 0.00 0.00 0.00 178.15 178.62 2wks h HIS 31 N 0.49 0.70 -0.05 1.37 3.86 0.08 -1.89 115.15 119.71 2wks h HIS 31 Ca 0.13 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2wks h HIS 31 Cb 0.12 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 2wks h HIS 31 CO -0.01 0.71 0.02 0.93 0.86 0.00 0.00 177.93 180.43 2wks h GLU 32 N 0.60 0.07 -1.06 2.45 5.08 -0.35 -2.49 114.58 118.88 2wks h GLU 32 Ca 0.11 -0.01 0.28 0.00 -1.00 0.00 0.00 59.36 58.74 2wks h GLU 32 Cb 0.49 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.63 2wks h GLU 32 CO 0.03 0.21 0.67 0.82 -1.00 0.00 0.00 179.01 179.74 2wks h ILE 33 N -0.09 0.48 -0.14 3.13 2.04 -0.82 -0.10 117.51 122.01 2wks h ILE 33 Ca 0.02 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 2wks h ILE 33 Cb 0.17 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2wks h ILE 33 CO -0.00 0.07 -0.06 0.24 0.00 0.00 0.00 178.15 178.40 2wks h MET 34 N 0.39 0.28 -0.06 2.37 2.86 -0.96 -1.25 114.93 118.56 2wks h MET 34 Ca 0.63 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 58.16 2wks h MET 34 Cb 1.58 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.22 2wks h MET 34 CO -0.35 0.61 -0.04 1.96 1.06 0.00 0.00 176.91 180.15 2wks h GLN 35 N -0.05 -0.04 -0.49 1.72 1.08 -0.87 -1.03 115.11 115.43 2wks h GLN 35 Ca 0.03 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.33 2wks h GLN 35 Cb 0.52 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 27.86 2wks h GLN 35 CO 0.02 -0.03 -0.14 1.15 -0.95 0.00 0.00 178.83 178.88 2wks h THR 36 N -0.04 0.47 -0.85 -0.54 2.02 -1.07 0.73 112.91 113.63 2wks h THR 36 Ca 0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.24 2wks h THR 36 Cb 0.10 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 2wks h THR 36 CO -0.08 0.00 0.56 0.15 0.37 0.00 0.00 175.52 176.52 2wks h PHE 37 N -0.03 1.05 -0.32 3.16 3.57 -0.70 -0.56 116.94 123.11 2wks h PHE 37 Ca 0.23 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 2wks h PHE 37 Cb 0.38 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2wks h PHE 37 CO -0.43 0.63 0.05 0.28 -2.23 0.00 0.00 178.31 176.61 2wks h VAL 38 N 1.11 1.23 0.43 1.41 2.07 0.23 -3.07 116.25 119.65 2wks h VAL 38 Ca 0.33 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2wks h VAL 38 Cb -0.05 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2wks h VAL 38 CO -0.08 0.27 -0.21 0.11 0.02 0.00 0.00 177.57 177.68 2wks h LYS 39 N 0.35 -0.55 0.00 1.57 1.57 -0.70 -1.54 116.57 117.27 2wks h LYS 39 Ca 0.10 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2wks h LYS 39 Cb 0.35 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2wks h LYS 39 CO 0.01 -0.24 0.00 1.04 -0.57 0.00 0.00 179.45 179.68 2wks n GLN 40 N -5.20 0.00 0.00 3.15 1.13 -0.24 0.75 117.38 116.97 2wks n GLN 40 Ca -0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 2wks n GLN 40 Cb 0.29 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.36 2wks n GLN 40 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wks n GLY 41 N -0.68 0.65 2.53 1.08 0.00 -1.16 -5.00 105.19 102.60 2wks n GLY 41 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2wks n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wks n ASN 42 N -0.20 -5.62 -4.76 1.61 3.02 0.23 -4.93 115.26 104.61 2wks n ASN 42 Ca 0.00 0.33 -0.37 0.00 -0.03 0.00 0.00 54.58 54.51 2wks n ASN 42 Cb 0.07 -4.83 0.02 0.00 -0.61 0.00 0.00 39.78 34.43 2wks n ASN 42 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wks s LEU 43 N -5.11 3.88 -1.18 3.41 1.43 -0.64 -4.90 118.68 115.57 2wks s LEU 43 Ca 0.00 2.53 -0.06 0.00 -1.03 0.00 0.00 54.13 55.57 2wks s LEU 43 Cb 0.00 -4.32 0.23 0.00 0.03 0.00 0.00 46.19 42.13 2wks s LEU 43 CO 0.00 -1.34 1.84 -0.67 0.23 0.00 0.00 176.35 176.42 2wks n ASP 44 N -0.93 6.45 -3.79 2.29 2.03 -1.26 -4.79 116.55 116.55 2wks n ASP 44 Ca 0.10 -3.31 -0.19 0.00 0.52 0.00 0.00 54.79 51.91 2wks n ASP 44 Cb 0.47 -1.34 -0.17 0.00 -0.72 0.00 0.00 41.12 39.36 2wks n ASP 44 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2wks s VAL 45 N -1.69 0.23 -0.21 5.18 1.01 -1.26 -3.83 120.40 119.83 2wks s VAL 45 Ca 0.39 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.42 2wks s VAL 45 Cb 0.11 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 2wks s VAL 45 CO -0.00 0.19 0.07 -1.61 0.00 0.00 0.00 175.10 173.75 2wks s GLU 46 N 1.41 3.88 -0.10 2.72 2.02 -0.26 -5.00 118.70 123.37 2wks s GLU 46 Ca -0.04 -0.38 -0.09 0.00 0.02 0.00 0.00 54.97 54.48 2wks s GLU 46 Cb -0.13 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.79 2wks s GLU 46 CO -0.03 0.12 0.19 -0.51 0.02 0.00 0.00 175.26 175.05 2wks s LEU 47 N 0.80 4.39 -0.16 1.80 1.43 -1.26 -1.59 118.68 124.09 2wks s LEU 47 Ca 0.04 0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 53.68 2wks s LEU 47 Cb -0.13 -2.17 -0.00 0.00 0.03 0.00 0.00 46.19 43.91 2wks s LEU 47 CO 0.02 0.37 -0.14 -0.70 0.23 0.00 0.00 176.35 176.13 2wks s GLU 48 N -0.91 3.24 -0.11 1.70 2.12 -0.58 -4.96 118.70 119.21 2wks s GLU 48 Ca 0.16 -0.73 -0.05 0.00 0.36 0.00 0.00 54.97 54.71 2wks s GLU 48 Cb -0.13 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 2wks s GLU 48 CO 0.05 0.01 0.08 -0.06 -0.54 0.00 0.00 175.26 174.80 2wks s PHE 49 N 0.84 3.39 -0.09 5.30 0.08 -1.26 -0.99 117.98 125.26 2wks s PHE 49 Ca -0.04 0.35 -0.04 0.00 0.12 0.00 0.00 56.93 57.32 2wks s PHE 49 Cb -0.15 -1.90 0.04 0.00 -0.57 0.00 0.00 43.02 40.44 2wks s PHE 49 CO -0.00 0.57 0.19 0.12 -0.10 0.00 0.00 175.22 176.00 2wks s PHE 50 N -0.82 -0.24 -0.04 0.36 5.36 0.02 -4.96 117.98 117.66 2wks s PHE 50 Ca 0.13 0.63 0.05 0.00 -0.96 0.00 0.00 56.93 56.79 2wks s PHE 50 Cb -0.12 -0.07 -0.01 0.00 -0.34 0.00 0.00 43.02 42.48 2wks s PHE 50 CO 0.03 -0.22 -0.21 -1.14 -1.46 0.00 0.00 175.22 172.22 2wks s GLN 51 N 1.47 2.06 0.06 10.12 -0.44 -1.26 -0.17 119.66 131.51 2wks s GLN 51 Ca -0.07 -0.75 -0.11 0.00 -2.50 0.00 0.00 55.36 51.94 2wks s GLN 51 Cb -0.11 -1.81 0.01 0.00 -1.64 0.00 0.00 33.01 29.46 2wks s GLN 51 CO -0.07 0.34 0.23 -0.08 0.50 0.00 0.00 175.29 176.21 2wks s THR 52 N -0.14 0.11 -2.38 -0.34 -1.32 -0.57 -4.97 115.64 106.03 2wks s THR 52 Ca -0.01 -0.91 0.21 0.00 -1.21 0.00 0.00 61.69 59.76 2wks s THR 52 Cb -0.12 -1.08 0.29 0.00 -1.51 0.00 0.00 72.50 70.08 2wks s THR 52 CO 0.02 -0.50 1.26 0.59 -2.21 0.00 0.00 174.62 173.78 2wks n ASN 53 N 0.35 3.04 -4.54 8.08 3.02 -1.26 -2.35 115.26 121.61 2wks n ASN 53 Ca -0.17 -1.91 -0.37 0.00 -0.03 0.00 0.00 54.58 52.09 2wks n ASN 53 Cb 0.60 -0.13 -0.12 0.00 -0.61 0.00 0.00 39.78 39.53 2wks n ASN 53 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wks s PHE 54 N -1.54 3.17 0.27 3.10 0.40 -1.26 -4.74 117.98 117.38 2wks s PHE 54 Ca 0.30 -0.10 -0.01 0.00 -0.60 0.00 0.00 56.93 56.52 2wks s PHE 54 Cb 0.19 -2.30 0.58 0.00 0.51 0.00 0.00 43.02 42.00 2wks s PHE 54 CO 0.27 -0.22 1.68 1.49 0.70 0.00 0.00 175.22 179.15 2wks h GLU 55 N 8.21 0.29 -0.27 0.44 4.81 -2.00 -1.43 114.58 124.63 2wks h GLU 55 Ca -0.37 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.79 2wks h GLU 55 Cb 1.18 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 2wks h GLU 55 CO 0.57 0.19 -0.10 0.78 -0.73 0.00 0.00 179.01 179.73 2wks h GLY 56 N 0.30 0.48 1.12 1.92 0.00 -1.99 -2.07 103.07 102.83 2wks h GLY 56 Ca 0.48 -0.31 -0.17 0.00 0.00 0.00 0.00 47.33 47.33 2wks h GLY 56 CO -0.54 0.29 -0.48 0.83 0.00 0.00 0.00 176.54 176.64 2wks h GLU 57 N 0.42 0.88 -0.31 4.80 5.08 -1.69 -0.30 114.58 123.46 2wks h GLU 57 Ca 0.08 -0.53 0.05 0.00 -1.00 0.00 0.00 59.36 57.97 2wks h GLU 57 Cb 0.43 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 2wks h GLU 57 CO 0.02 1.17 -0.01 0.82 -1.00 0.00 0.00 179.01 180.01 2wks h ILE 58 N 0.67 0.76 -0.15 3.13 2.04 -0.99 0.29 117.51 123.25 2wks h ILE 58 Ca 0.03 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2wks h ILE 58 Cb 1.08 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2wks h ILE 58 CO 0.11 0.01 0.09 0.40 0.00 0.00 0.00 178.15 178.76 2wks h ILE 59 N 0.08 1.08 -0.58 -0.67 2.04 -1.30 -0.98 117.51 117.17 2wks h ILE 59 Ca 0.15 -0.20 0.10 0.00 1.00 0.00 0.00 64.86 65.91 2wks h ILE 59 Cb 0.20 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 37.13 2wks h ILE 59 CO -0.26 0.07 0.15 0.44 0.00 0.00 0.00 178.15 178.55 2wks h ASP 60 N 0.17 0.06 -0.25 1.72 5.19 -0.71 -0.40 116.42 122.20 2wks h ASP 60 Ca 0.05 0.10 -0.08 0.00 -0.62 0.00 0.00 57.03 56.49 2wks h ASP 60 Cb 0.04 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 2wks h ASP 60 CO -0.01 0.04 -0.15 0.50 -3.12 0.00 0.00 179.24 176.50 2wks h LYS 61 N 0.29 0.54 -0.61 3.56 1.63 -0.53 0.24 116.57 121.69 2wks h LYS 61 Ca 0.30 -0.25 0.09 0.00 -0.85 0.00 0.00 60.65 59.94 2wks h LYS 61 Cb 0.42 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.98 2wks h LYS 61 CO -0.37 0.81 0.25 0.82 -3.45 0.00 0.00 179.45 177.52 2wks h ILE 62 N 0.25 0.80 -0.50 2.00 2.04 -0.75 -1.88 117.51 119.47 2wks h ILE 62 Ca 0.05 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2wks h ILE 62 Cb 0.67 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2wks h ILE 62 CO 0.04 0.08 0.25 1.56 0.00 0.00 0.00 178.15 180.09 2wks h GLN 63 N 0.45 0.72 0.00 2.37 4.20 -0.66 -2.64 115.11 119.55 2wks h GLN 63 Ca 0.30 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2wks h GLN 63 Cb 0.35 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2wks h GLN 63 CO -0.28 0.59 0.00 0.93 -0.67 0.00 0.00 178.83 179.39 2wks h GLU 64 N 0.67 0.00 0.00 1.46 5.08 -0.37 -0.79 114.58 120.62 2wks h GLU 64 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2wks h GLU 64 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2wks h GLU 64 CO -0.02 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.65 2wks h SER 65 N 0.00 0.00 0.61 1.42 4.64 -0.97 -3.36 113.55 115.89 2wks h SER 65 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2wks h SER 65 Cb 0.24 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2wks h SER 65 CO 0.00 0.00 -0.29 0.58 -0.87 0.00 0.00 176.83 176.25 2wks h VAL 66 N 0.00 0.00 0.00 0.95 2.07 -1.21 -2.93 116.25 115.14 2wks h VAL 66 Ca 0.00 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2wks h VAL 66 Cb 0.64 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2wks h VAL 66 CO 0.00 0.00 -0.03 1.23 0.02 0.00 0.00 177.57 178.79 2wks h GLY 67 N -1.15 0.00 -0.66 2.17 0.00 -1.76 -3.46 103.07 98.20 2wks h GLY 67 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.95 2wks h GLY 67 CO 0.14 0.00 0.23 -1.14 0.00 0.00 0.00 176.54 175.77 2wks n SER 68 N -3.50 0.29 -1.81 0.19 3.41 -1.11 -4.95 113.62 106.15 2wks n SER 68 Ca -0.02 -1.44 -0.16 0.00 -0.26 0.00 0.00 58.87 56.99 2wks n SER 68 Cb 0.13 -0.62 0.06 0.00 -0.26 0.00 0.00 64.21 63.52 2wks n SER 68 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2wks n ASP 69 N -3.41 5.40 -4.66 4.04 5.75 -1.26 -4.88 116.55 117.53 2wks n ASP 69 Ca 0.11 -2.99 -0.39 0.00 -0.01 0.00 0.00 54.79 51.50 2wks n ASP 69 Cb 0.39 -0.92 -0.06 0.00 -1.03 0.00 0.00 41.12 39.50 2wks n ASP 69 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2wks s TYR 70 N -1.82 3.38 -0.01 2.11 4.12 -1.26 -4.14 117.35 119.73 2wks s TYR 70 Ca 0.31 0.84 0.05 0.00 0.02 0.00 0.00 57.07 58.29 2wks s TYR 70 Cb 0.25 -2.71 -0.24 0.00 -1.52 0.00 0.00 41.96 37.73 2wks s TYR 70 CO 0.02 -0.11 0.78 0.93 0.02 0.00 0.00 175.55 177.19 2wks h GLU 71 N 7.43 0.10 -2.78 -0.62 4.39 -1.34 -3.48 114.58 118.28 2wks h GLU 71 Ca -0.33 -0.18 0.08 0.00 0.34 0.00 0.00 59.36 59.27 2wks h GLU 71 Cb 1.15 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.79 2wks h GLU 71 CO 0.75 0.84 0.31 0.20 -1.16 0.00 0.00 179.01 179.95 2wks s GLY 72 N -5.06 -0.26 -0.05 -3.84 0.00 -1.24 -4.22 107.32 92.66 2wks s GLY 72 Ca -0.07 0.05 0.04 0.00 0.00 0.00 0.00 44.72 44.75 2wks s GLY 72 CO 0.83 0.01 -0.18 -0.42 0.00 0.00 0.00 173.10 173.34 2wks s ILE 73 N -3.67 1.49 -0.17 0.90 1.01 -0.02 -1.88 121.20 118.86 2wks s ILE 73 Ca 0.09 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 2wks s ILE 73 Cb -0.04 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 2wks s ILE 73 CO 0.01 0.43 -0.04 -0.63 0.00 0.00 0.00 174.94 174.70 2wks s ILE 74 N 0.09 3.70 -0.01 2.92 1.01 -0.28 -0.73 121.20 127.90 2wks s ILE 74 Ca -0.05 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2wks s ILE 74 Cb -0.12 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.73 2wks s ILE 74 CO 0.03 0.47 0.02 -0.51 0.00 0.00 0.00 174.94 174.94 2wks s ILE 75 N 0.68 -0.03 -0.40 2.92 2.07 0.26 -0.61 121.20 126.09 2wks s ILE 75 Ca -0.02 0.12 0.03 0.00 -1.41 0.00 0.00 60.65 59.36 2wks s ILE 75 Cb -0.15 -0.05 0.11 0.00 0.13 0.00 0.00 42.46 42.50 2wks s ILE 75 CO 0.02 0.05 0.13 0.21 -1.91 0.00 0.00 174.94 173.44 2wks s ASN 76 N 0.58 4.73 0.00 4.50 3.84 -0.19 -0.78 114.94 127.62 2wks s ASN 76 Ca -0.05 -2.37 0.23 0.00 0.21 0.00 0.00 52.86 50.88 2wks s ASN 76 Cb -0.07 -1.66 1.37 0.00 -0.55 0.00 0.00 41.25 40.34 2wks s ASN 76 CO -0.02 -0.36 1.75 -2.65 -2.79 0.00 0.00 177.10 173.03 2wks n PRO 77 N 3.99 0.70 0.00 0.43 -0.02 -1.26 -0.15 135.00 138.69 2wks n PRO 77 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2wks n PRO 77 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2wks n PRO 77 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wks n GLY 78 N 0.45 1.67 0.17 -1.23 0.00 -1.26 -2.14 105.19 102.84 2wks n GLY 78 Ca 0.17 -0.50 0.11 0.00 0.00 0.00 0.00 46.02 45.79 2wks n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wks n ALA 79 N 6.11 0.98 0.32 4.61 0.00 -1.26 -0.55 120.51 130.72 2wks n ALA 79 Ca 0.00 0.20 0.15 0.00 0.00 0.00 0.00 53.44 53.79 2wks n ALA 79 Cb 0.00 -1.25 0.56 0.00 0.00 0.00 0.00 19.45 18.75 2wks n ALA 79 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2wks h PHE 80 N 0.00 0.00 -1.01 0.00 0.04 -1.83 -3.13 116.94 111.02 2wks h PHE 80 Ca 0.00 0.00 0.19 0.00 2.80 0.00 0.00 57.97 60.96 2wks h PHE 80 Cb 0.09 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.13 2wks h PHE 80 CO 0.00 0.00 0.61 0.77 -0.60 0.00 0.00 178.31 179.09 2wks h SER 81 N 0.00 0.79 1.40 2.17 0.02 -0.91 0.68 113.55 117.70 2wks h SER 81 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2wks h SER 81 Cb 0.56 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2wks h SER 81 CO 0.00 0.27 -0.58 0.45 -1.14 0.00 0.00 176.83 175.84 2wks h HIS 82 N 0.76 0.00 0.00 3.45 3.86 -1.70 0.10 115.15 121.62 2wks h HIS 82 Ca 0.58 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.78 2wks h HIS 82 Cb 0.91 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.38 2wks h HIS 82 CO -0.00 0.00 -1.10 0.25 0.86 0.00 0.00 177.93 177.93 2wks n THR 83 N -2.83 0.05 -3.09 2.45 -2.24 -0.91 -4.62 114.28 103.09 2wks n THR 83 Ca 0.02 -0.06 -0.45 0.00 -2.27 0.00 0.00 64.05 61.29 2wks n THR 83 Cb 0.54 -0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 2wks n THR 83 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2wks s SER 84 N -2.60 6.69 0.29 3.42 0.15 0.18 -4.80 113.70 117.03 2wks s SER 84 Ca -0.01 -2.32 -0.03 0.00 0.70 0.00 0.00 55.95 54.29 2wks s SER 84 Cb 0.01 -2.32 0.40 0.00 -1.71 0.00 0.00 66.02 62.40 2wks s SER 84 CO 0.08 -0.86 1.95 0.40 1.20 0.00 0.00 173.24 176.01 2wks h ILE 85 N 5.39 1.21 -0.41 6.45 2.04 -1.92 -2.25 117.51 128.01 2wks h ILE 85 Ca 0.14 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.65 2wks h ILE 85 Cb 1.03 -0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 2wks h ILE 85 CO 0.96 0.22 0.13 0.00 0.00 0.00 0.00 178.15 179.45 2wks h ALA 86 N 1.46 0.48 -0.33 1.87 0.00 -1.98 0.18 119.26 120.94 2wks h ALA 86 Ca 0.33 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 2wks h ALA 86 Cb -0.10 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2wks h ALA 86 CO -0.08 -0.27 -0.20 0.82 0.00 0.00 0.00 179.25 179.53 2wks h ILE 87 N 0.28 1.26 -0.32 0.00 2.04 -1.90 -1.69 117.51 117.18 2wks h ILE 87 Ca 0.19 -1.23 0.03 0.00 1.00 0.00 0.00 64.86 64.85 2wks h ILE 87 Cb 0.20 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2wks h ILE 87 CO -0.21 0.40 0.15 0.00 0.00 0.00 0.00 178.15 178.49 2wks h ALA 88 N 1.24 0.39 -0.37 1.87 0.00 -0.66 0.18 119.26 121.91 2wks h ALA 88 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2wks h ALA 88 Cb 0.65 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2wks h ALA 88 CO 0.05 -0.24 0.19 -0.44 0.00 0.00 0.00 179.25 178.81 2wks h ASP 89 N 0.31 0.46 -0.59 0.00 3.32 -0.40 -1.33 116.42 118.20 2wks h ASP 89 Ca 0.14 -0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.20 2wks h ASP 89 Cb 0.07 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 39.42 2wks h ASP 89 CO -0.11 0.43 0.15 0.00 -1.72 0.00 0.00 179.24 177.99 2wks h ALA 90 N 1.05 0.72 -0.71 3.45 0.00 -0.84 -1.15 119.26 121.78 2wks h ALA 90 Ca 0.13 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2wks h ALA 90 Cb 0.07 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2wks h ALA 90 CO -0.02 -0.28 0.47 0.82 0.00 0.00 0.00 179.25 180.24 2wks h ILE 91 N 0.29 1.18 -0.21 0.00 2.04 -0.36 -2.11 117.51 118.34 2wks h ILE 91 Ca 0.31 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 2wks h ILE 91 Cb 0.44 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2wks h ILE 91 CO -0.37 0.18 -0.00 0.24 0.00 0.00 0.00 178.15 178.19 2wks h MET 92 N 0.97 0.31 -0.20 2.37 2.86 -0.25 -2.59 114.93 118.40 2wks h MET 92 Ca 0.26 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2wks h MET 92 Cb -0.11 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.49 2wks h MET 92 CO -0.06 0.34 0.00 1.47 1.06 0.00 0.00 176.91 179.72 2wks n LEU 93 N -4.36 1.93 0.25 1.22 -0.00 -0.53 -4.23 117.00 111.28 2wks n LEU 93 Ca 0.00 -0.81 0.13 0.00 -0.00 0.00 0.00 56.01 55.33 2wks n LEU 93 Cb 0.19 -0.13 0.63 0.00 -0.00 0.00 0.00 43.42 44.12 2wks n LEU 93 CO 0.37 0.41 0.92 0.00 -0.00 0.00 0.00 177.39 179.09 2wks h ALA 94 N 4.11 1.08 -6.74 1.47 0.00 -0.98 -3.47 119.26 114.72 2wks h ALA 94 Ca 0.00 -0.11 -0.55 0.00 0.00 0.00 0.00 54.91 54.25 2wks h ALA 94 Cb 0.56 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.20 2wks h ALA 94 CO 0.00 0.15 -0.91 0.41 0.00 0.00 0.00 179.25 178.90 2wks n GLY 95 N -0.16 -0.22 3.50 0.00 0.00 -1.26 -4.79 105.19 102.26 2wks n GLY 95 Ca -0.00 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 2wks n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wks s LYS 96 N -6.89 0.98 0.19 1.61 -2.85 -1.26 -5.12 119.74 106.40 2wks s LYS 96 Ca 0.10 -0.38 -0.32 0.00 -1.00 0.00 0.00 55.97 54.38 2wks s LYS 96 Cb -0.06 0.44 -0.11 0.00 -2.06 0.00 0.00 37.83 36.04 2wks s LYS 96 CO 0.93 -0.43 1.68 -2.14 0.10 0.00 0.00 175.35 175.49 2wks s PRO 97 N -3.31 4.15 -0.09 1.78 0.02 -1.26 -4.85 135.00 131.44 2wks s PRO 97 Ca 0.04 2.53 0.04 0.00 0.02 0.00 0.00 61.00 63.63 2wks s PRO 97 Cb -0.01 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.37 2wks s PRO 97 CO -0.09 -0.71 -0.22 0.08 -0.33 0.00 0.00 177.00 175.72 2wks s VAL 98 N 1.29 1.92 -0.12 3.83 1.01 -1.26 -0.84 120.40 126.22 2wks s VAL 98 Ca 0.74 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2wks s VAL 98 Cb -0.48 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.24 2wks s VAL 98 CO 0.32 0.53 -0.22 -0.63 0.00 0.00 0.00 175.10 175.10 2wks s ILE 99 N 0.38 2.21 -0.13 2.22 1.01 0.09 -2.08 121.20 124.91 2wks s ILE 99 Ca -0.18 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 59.37 2wks s ILE 99 Cb -0.18 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 2wks s ILE 99 CO 0.08 0.55 0.34 -0.70 0.00 0.00 0.00 174.94 175.21 2wks s GLU 100 N 0.49 4.18 0.03 2.79 2.12 -0.70 -0.57 118.70 127.03 2wks s GLU 100 Ca -0.14 0.20 0.09 0.00 0.36 0.00 0.00 54.97 55.47 2wks s GLU 100 Cb -0.17 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 2wks s GLU 100 CO 0.05 0.32 -0.26 0.08 -0.54 0.00 0.00 175.26 174.92 2wks s VAL 101 N 0.18 2.16 -0.04 3.70 1.01 0.04 -0.21 120.40 127.24 2wks s VAL 101 Ca 0.19 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 60.90 2wks s VAL 101 Cb -0.14 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.44 2wks s VAL 101 CO 0.07 0.43 -0.08 -1.00 0.00 0.00 0.00 175.10 174.52 2wks s HIS 102 N -0.76 0.92 0.12 5.22 3.76 0.88 -4.20 115.29 121.23 2wks s HIS 102 Ca 0.11 -0.26 -0.24 0.00 -0.15 0.00 0.00 55.06 54.53 2wks s HIS 102 Cb -0.10 -0.71 -0.05 0.00 1.11 0.00 0.00 32.58 32.83 2wks s HIS 102 CO 0.01 -0.15 1.66 -0.07 -0.85 0.00 0.00 174.74 175.34 2wks h LEU 103 N 6.72 -0.54-10.29 0.89 3.38 -1.86 -1.33 115.31 112.28 2wks h LEU 103 Ca -0.35 0.08 -0.46 0.00 0.09 0.00 0.00 57.88 57.25 2wks h LEU 103 Cb 1.17 0.23 0.01 0.00 0.09 0.00 0.00 40.66 42.16 2wks h LEU 103 CO 0.48 -0.24 -0.25 0.42 0.09 0.00 0.00 178.44 178.94 2wks s THR 104 N -6.12 4.53 -0.89 0.22 -4.23 -1.26 -1.97 115.64 105.93 2wks s THR 104 Ca -0.15 -0.72 -0.25 0.00 -1.18 0.00 0.00 61.69 59.40 2wks s THR 104 Cb 0.09 -3.63 0.04 0.00 1.34 0.00 0.00 72.50 70.35 2wks s THR 104 CO 0.67 -0.34 1.35 0.21 -0.54 0.00 0.00 174.62 175.97 2wks s ASN 105 N -4.12 6.35 0.19 3.99 3.84 -1.26 -2.72 114.94 121.22 2wks s ASN 105 Ca 0.43 -1.04 0.18 0.00 0.21 0.00 0.00 52.86 52.64 2wks s ASN 105 Cb -0.10 -2.56 0.83 0.00 -0.55 0.00 0.00 41.25 38.88 2wks s ASN 105 CO 0.34 -1.63 1.55 2.30 -2.79 0.00 0.00 177.10 176.87 2wks n ILE 106 N 6.60 1.09 0.22 -5.21 -5.35 -1.26 -0.38 119.36 115.07 2wks n ILE 106 Ca 0.19 0.41 0.06 0.00 -0.27 0.00 0.00 62.75 63.14 2wks n ILE 106 Cb 0.50 -1.34 0.48 0.00 -1.74 0.00 0.00 39.64 37.54 2wks n ILE 106 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2wks h GLN 107 N 0.00 0.00 -0.52 6.28 1.08 -1.87 -3.27 115.11 116.81 2wks h GLN 107 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2wks h GLN 107 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2wks h GLN 107 CO 0.00 0.26 0.00 0.00 -0.95 0.00 0.00 178.83 178.14 2wks n ALA 108 N -2.42 3.60 -3.26 3.87 0.00 0.49 -4.94 120.51 117.85 2wks n ALA 108 Ca -0.02 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.47 2wks n ALA 108 Cb 0.33 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2wks n ALA 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wks n ARG 109 N 0.46 3.43 -1.12 0.00 1.74 -1.23 -5.05 116.66 114.89 2wks n ARG 109 Ca 0.26 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.99 2wks n ARG 109 Cb 1.10 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.62 2wks n ARG 109 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2wks n GLU 110 N -0.01 0.12 -0.23 5.56 4.71 -1.26 -4.85 120.64 124.68 2wks n GLU 110 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 2wks n GLU 110 Cb 0.00 -1.79 0.12 0.00 -1.01 0.00 0.00 31.44 28.76 2wks n GLU 110 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2wks h GLU 111 N -0.72 0.57 0.00 3.49 4.57 -1.96 -2.22 114.58 118.31 2wks h GLU 111 Ca -0.45 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2wks h GLU 111 Cb 1.33 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2wks h GLU 111 CO 0.39 0.38 0.00 1.97 -1.18 0.00 0.00 179.01 180.57 2wks n PHE 112 N -4.86 0.15 0.90 0.92 1.16 -1.26 -1.91 117.46 112.55 2wks n PHE 112 Ca 0.10 0.07 0.10 0.00 -1.87 0.00 0.00 57.45 55.84 2wks n PHE 112 Cb 0.24 -0.61 -0.05 0.00 -1.61 0.00 0.00 39.48 37.45 2wks n PHE 112 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2wks n ARG 113 N -1.65 1.06 -0.02 3.97 1.74 -0.84 -4.58 116.66 116.35 2wks n ARG 113 Ca 0.01 -0.51 -0.16 0.00 -0.77 0.00 0.00 57.85 56.41 2wks n ARG 113 Cb 0.07 -1.41 -0.09 0.00 -1.02 0.00 0.00 32.46 30.01 2wks n ARG 113 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wks h LYS 114 N 1.22 0.51 -6.78 5.56 1.57 -1.42 -3.44 116.57 113.80 2wks h LYS 114 Ca 0.00 -0.43 -0.53 0.00 -1.87 0.00 0.00 60.65 57.82 2wks h LYS 114 Cb 0.58 0.10 0.08 0.00 0.08 0.00 0.00 32.23 33.07 2wks h LYS 114 CO 0.00 1.07 0.91 -1.71 -0.57 0.00 0.00 179.45 179.15 2wks n ASN 115 N -4.22 3.93 -3.73 0.86 5.15 -1.26 -4.81 115.26 111.19 2wks n ASN 115 Ca -0.08 1.13 -0.30 0.00 -0.60 0.00 0.00 54.58 54.73 2wks n ASN 115 Cb 0.62 -1.60 -0.15 0.00 -0.53 0.00 0.00 39.78 38.12 2wks n ASN 115 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2wks s SER 116 N 0.61 3.94 0.13 1.20 0.15 -1.26 -4.16 113.70 114.32 2wks s SER 116 Ca 0.66 -1.57 -0.19 0.00 0.70 0.00 0.00 55.95 55.54 2wks s SER 116 Cb -0.49 -0.83 -0.02 0.00 -1.71 0.00 0.00 66.02 62.98 2wks s SER 116 CO 0.46 -0.41 1.73 1.88 1.20 0.00 0.00 173.24 178.10 2wks h TYR 117 N 8.11 0.03 -0.48 3.44 0.05 -1.23 -2.22 116.97 124.68 2wks h TYR 117 Ca -0.14 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.63 2wks h TYR 117 Cb 1.02 0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.76 2wks h TYR 117 CO 0.35 -0.01 0.22 1.79 -1.05 0.00 0.00 178.16 179.47 2wks h THR 118 N 0.10 1.19 -0.36 -2.88 1.35 -1.78 -2.71 112.91 107.82 2wks h THR 118 Ca 0.10 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2wks h THR 118 Cb 0.12 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 67.20 2wks h THR 118 CO -0.16 0.22 0.23 1.23 -0.25 0.00 0.00 175.52 176.79 2wks h GLY 119 N 0.64 0.51 1.91 5.82 0.00 -1.77 -0.91 103.07 109.27 2wks h GLY 119 Ca 0.16 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 2wks h GLY 119 CO -0.02 0.19 -0.38 0.00 0.00 0.00 0.00 176.54 176.33 2wks h ALA 120 N 1.76 1.27 0.00 3.60 0.00 -1.09 -2.77 119.26 122.04 2wks h ALA 120 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wks h ALA 120 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2wks h ALA 120 CO -0.03 0.52 -0.10 0.00 0.00 0.00 0.00 179.25 179.64 2wks h ALA 121 N 1.53 0.95 -2.33 0.00 0.00 -1.04 -3.46 119.26 114.90 2wks h ALA 121 Ca 0.01 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.42 2wks h ALA 121 Cb 0.71 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.55 2wks h ALA 121 CO 0.05 0.00 0.35 0.00 0.00 0.00 0.00 179.25 179.65 2wks h GLY 123 N -0.09 1.12 -2.64 0.00 0.00 -1.70 -3.47 103.07 96.30 2wks h GLY 123 Ca -0.45 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.12 2wks h GLY 123 CO 0.62 0.67 -0.04 -0.32 0.00 0.00 0.00 176.54 177.47 2wks s GLY 124 N -3.54 0.03 -0.00 4.60 0.00 -1.25 -5.10 107.32 102.05 2wks s GLY 124 Ca -0.11 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.24 2wks s GLY 124 CO 0.84 -0.38 0.00 0.14 0.00 0.00 0.00 173.10 173.70 2wks s VAL 125 N -3.89 -0.00 -0.10 1.40 1.01 -1.26 -1.72 120.40 115.84 2wks s VAL 125 Ca 0.11 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.11 2wks s VAL 125 Cb -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 36.38 36.38 2wks s VAL 125 CO -0.02 0.00 -0.14 -0.63 0.00 0.00 0.00 175.10 174.31 2wks s ILE 126 N 0.03 1.40 -0.00 2.22 1.01 0.71 -4.97 121.20 121.59 2wks s ILE 126 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2wks s ILE 126 Cb -0.00 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.19 2wks s ILE 126 CO -0.00 0.42 -0.01 0.00 0.00 0.00 0.00 174.94 175.34 2wks s MET 127 N 0.91 0.12 0.00 2.79 0.23 -1.26 -0.09 119.30 122.01 2wks s MET 127 Ca -0.09 -0.05 0.00 0.00 -1.03 0.00 0.00 55.69 54.52 2wks s MET 127 Cb -0.15 -0.12 0.00 0.00 -1.53 0.00 0.00 34.83 33.03 2wks s MET 127 CO 0.00 0.03 0.00 0.41 -2.03 0.00 0.00 175.02 173.43 2wks n GLY 128 N 3.06 0.91 0.73 3.16 0.00 -0.50 -4.71 105.19 107.84 2wks n GLY 128 Ca -0.12 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.84 2wks n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wks n PHE 129 N -2.15 0.69 -4.87 1.61 3.01 -1.05 -4.66 117.46 110.05 2wks n PHE 129 Ca 0.00 -0.73 0.00 0.00 1.01 0.00 0.00 57.45 57.73 2wks n PHE 129 Cb 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 2wks n PHE 129 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wks n GLY 130 N -0.19 0.45 0.43 1.37 0.00 -0.83 -3.00 105.19 103.41 2wks n GLY 130 Ca 0.17 -0.91 0.24 0.00 0.00 0.00 0.00 46.02 45.52 2wks n GLY 130 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wks h PRO 131 N 0.00 0.00 -0.85 1.61 0.11 -1.91 -1.70 132.00 129.26 2wks h PRO 131 Ca 0.00 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.29 2wks h PRO 131 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 2wks h PRO 131 CO 0.00 0.00 0.56 1.25 -0.21 0.00 0.00 178.00 179.60 2wks h LEU 132 N 0.00 0.44 -1.75 2.35 5.85 -1.96 -1.00 115.31 119.24 2wks h LEU 132 Ca 0.31 0.04 0.22 0.00 0.84 0.00 0.00 57.88 59.29 2wks h LEU 132 Cb 1.43 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.36 2wks h LEU 132 CO -0.00 0.20 0.60 1.23 -0.34 0.00 0.00 178.44 180.13 2wks h GLY 133 N 0.45 0.44 1.46 3.75 0.00 -1.38 -0.07 103.07 107.73 2wks h GLY 133 Ca 0.43 -0.09 -0.17 0.00 0.00 0.00 0.00 47.33 47.50 2wks h GLY 133 CO -0.16 -0.01 -0.58 -0.97 0.00 0.00 0.00 176.54 174.82 2wks h TYR 134 N 0.20 0.71 -0.26 5.60 -1.99 -1.39 -0.86 116.97 118.99 2wks h TYR 134 Ca 0.43 -0.26 -0.15 0.00 2.00 0.00 0.00 58.73 60.76 2wks h TYR 134 Cb 1.39 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.98 2wks h TYR 134 CO -0.00 1.00 -0.45 -0.91 -0.00 0.00 0.00 178.16 177.80 2wks h ASN 135 N 0.42 0.71 -0.71 3.88 2.35 -1.15 -0.55 115.58 120.54 2wks h ASN 135 Ca 0.00 -0.34 0.01 0.00 -0.55 0.00 0.00 56.30 55.42 2wks h ASN 135 Cb 1.13 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.26 2wks h ASN 135 CO 0.11 1.06 0.47 0.24 -1.65 0.00 0.00 177.43 177.66 2wks h MET 136 N 0.53 0.91 -0.21 0.81 2.86 -1.22 0.40 114.93 119.01 2wks h MET 136 Ca 0.03 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2wks h MET 136 Cb 0.99 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 2wks h MET 136 CO 0.09 0.60 0.05 0.00 1.06 0.00 0.00 176.91 178.71 2wks h ALA 137 N 1.57 0.28 -0.19 6.32 0.00 -0.59 -1.54 119.26 125.11 2wks h ALA 137 Ca 0.26 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2wks h ALA 137 Cb -0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2wks h ALA 137 CO -0.06 -0.07 -0.11 -0.07 0.00 0.00 0.00 179.25 178.93 2wks h LEU 138 N 0.16 -0.36 -0.38 0.00 3.38 -0.37 0.29 115.31 118.02 2wks h LEU 138 Ca 0.07 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.19 2wks h LEU 138 Cb 0.27 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 2wks h LEU 138 CO 0.00 -0.15 -0.11 -0.03 0.09 0.00 0.00 178.44 178.25 2wks h MET 139 N -0.10 -0.01 -0.56 1.13 4.05 -0.11 -1.40 114.93 117.92 2wks h MET 139 Ca 0.11 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.42 2wks h MET 139 Cb 0.26 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 2wks h MET 139 CO -0.25 -0.01 -0.06 0.00 0.23 0.00 0.00 176.91 176.82 2wks h ALA 140 N 1.35 0.82 -0.36 0.39 0.00 -0.68 -1.90 119.26 118.89 2wks h ALA 140 Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2wks h ALA 140 Cb 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2wks h ALA 140 CO -0.40 0.67 0.23 1.98 0.00 0.00 0.00 179.25 181.72 2wks h MET 141 N 0.92 0.48 -0.73 0.00 -1.53 -0.06 0.78 114.93 114.80 2wks h MET 141 Ca 0.15 -0.04 0.02 0.00 -3.44 0.00 0.00 59.70 56.40 2wks h MET 141 Cb 0.62 -0.10 -0.04 0.00 -0.55 0.00 0.00 31.60 31.52 2wks h MET 141 CO 0.04 0.34 0.47 0.28 0.14 0.00 0.00 176.91 178.18 2wks h VAL 142 N 0.48 1.15 -0.46 -5.77 2.07 -1.00 -0.06 116.25 112.65 2wks h VAL 142 Ca 0.13 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 2wks h VAL 142 Cb -0.02 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 2wks h VAL 142 CO -0.03 0.17 -0.15 0.78 0.02 0.00 0.00 177.57 178.36 2wks h ASN 143 N 0.94 0.88 -0.49 0.57 2.35 -0.99 -0.39 115.58 118.46 2wks h ASN 143 Ca 0.28 -0.30 -0.13 0.00 -0.55 0.00 0.00 56.30 55.60 2wks h ASN 143 Cb -0.05 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 2wks h ASN 143 CO -0.08 1.03 -0.20 0.40 -1.65 0.00 0.00 177.43 176.93 2wks h ILE 144 N 0.78 1.27 -0.05 2.81 2.04 -0.39 -0.92 117.51 123.04 2wks h ILE 144 Ca 0.12 -1.37 -0.02 0.00 1.00 0.00 0.00 64.86 64.59 2wks h ILE 144 Cb 0.68 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2wks h ILE 144 CO 0.05 0.47 -0.06 -0.07 0.00 0.00 0.00 178.15 178.54 2wks h LEU 145 N 0.86 0.14 -0.75 1.44 3.38 -0.96 -1.25 115.31 118.16 2wks h LEU 145 Ca 0.11 -0.50 0.16 0.00 0.09 0.00 0.00 57.88 57.74 2wks h LEU 145 Cb 0.78 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.35 2wks h LEU 145 CO 0.06 0.62 -0.12 0.00 0.09 0.00 0.00 178.44 179.09 2wks h ALA 146 N 0.53 0.60 0.00 1.53 0.00 -1.01 -1.42 119.26 119.48 2wks h ALA 146 Ca 0.01 0.28 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 2wks h ALA 146 Cb 0.58 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2wks h ALA 146 CO 0.01 -0.42 -0.57 1.49 0.00 0.00 0.00 179.25 179.77 2wks h GLU 147 N 0.03 0.00 -0.35 0.00 4.81 -0.98 0.31 114.58 118.41 2wks h GLU 147 Ca 0.38 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.47 2wks h GLU 147 Cb 0.62 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2wks h GLU 147 CO -0.74 0.57 -0.34 0.52 -0.73 0.00 0.00 179.01 178.29 2wks h MET 148 N 0.00 0.78 0.00 1.92 2.86 -0.22 -2.99 114.93 117.28 2wks h MET 148 Ca -0.01 -0.37 -0.19 0.00 -2.06 0.00 0.00 59.70 57.07 2wks h MET 148 Cb 1.07 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 2wks h MET 148 CO 0.07 1.00 -1.30 0.87 1.06 0.00 0.00 176.91 178.61 2wks h LYS 149 N 0.65 0.00 0.11 1.72 1.57 -1.10 -3.11 116.57 116.41 2wks h LYS 149 Ca 0.07 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2wks h LYS 149 Cb 0.88 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 2wks h LYS 149 CO 0.08 0.44 -0.19 0.00 -0.57 0.00 0.00 179.45 179.20 2wks h ALA 150 N 1.29 -0.32 -0.87 3.86 0.00 -0.96 -3.08 119.26 119.18 2wks h ALA 150 Ca -0.15 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2wks h ALA 150 Cb 1.67 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 19.72 2wks h ALA 150 CO 0.06 -0.72 0.58 0.35 0.00 0.00 0.00 179.25 179.52 2wks h PHE 151 N -0.37 1.08 -0.84 0.00 -0.00 -1.60 -2.69 116.94 112.53 2wks h PHE 151 Ca 0.02 0.03 0.09 0.00 -0.00 0.00 0.00 57.97 58.12 2wks h PHE 151 Cb 0.39 -0.36 -0.12 0.00 -0.00 0.00 0.00 35.95 35.86 2wks h PHE 151 CO -0.19 0.65 -0.52 0.37 -0.00 0.00 0.00 178.31 178.62 2wks h GLN 152 N 1.14 -0.10 0.00 1.11 4.15 -1.46 -3.52 115.11 116.43 2wks h GLN 152 Ca 0.33 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.76 2wks h GLN 152 Cb -0.06 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.66 2wks h GLN 152 CO -0.09 -0.07 0.00 0.39 -1.93 0.00 0.00 178.83 177.14