#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 4.25 -0.14 2.12 1.02 -1.26 -1.16 119.74 124.57 2wks s LYS 2 Ca 0.00 0.46 -0.02 0.00 0.02 0.00 0.00 55.97 56.43 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 -0.04 -0.08 0.42 -0.92 0.00 0.00 175.35 174.72 2wks s ILE 3 N 1.28 3.47 -0.21 2.17 -1.09 -0.66 -0.74 121.20 125.41 2wks s ILE 3 Ca 0.26 -0.51 -0.15 0.00 -2.23 0.00 0.00 60.65 58.02 2wks s ILE 3 Cb -0.15 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.19 2wks s ILE 3 CO 0.10 0.51 0.34 -0.22 -1.23 0.00 0.00 174.94 174.44 2wks s LEU 4 N 0.37 4.14 -0.31 2.97 2.96 -0.77 -1.39 118.68 126.64 2wks s LEU 4 Ca -0.07 0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 54.16 2wks s LEU 4 Cb -0.15 -2.42 -0.00 0.00 0.50 0.00 0.00 46.19 44.12 2wks s LEU 4 CO 0.04 -0.05 0.14 -0.69 -1.32 0.00 0.00 176.35 174.47 2wks s VAL 5 N 1.29 4.46 -0.20 1.68 1.01 0.02 -1.04 120.40 127.62 2wks s VAL 5 Ca 0.16 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 2wks s VAL 5 Cb -0.14 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 2wks s VAL 5 CO 0.07 0.04 0.04 -0.63 0.00 0.00 0.00 175.10 174.63 2wks s ILE 6 N 1.58 4.42 -0.21 2.22 1.01 -0.10 -0.47 121.20 129.66 2wks s ILE 6 Ca 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 2wks s ILE 6 Cb -0.17 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.30 2wks s ILE 6 CO 0.05 0.43 -0.10 -1.10 0.00 0.00 0.00 174.94 174.22 2wks s GLN 7 N 0.80 3.18 0.00 2.79 -1.52 0.10 -1.35 119.66 123.66 2wks s GLN 7 Ca 0.02 -0.74 0.00 0.00 -1.95 0.00 0.00 55.36 52.70 2wks s GLN 7 Cb -0.14 -2.85 0.00 0.00 -0.22 0.00 0.00 33.01 29.80 2wks s GLN 7 CO 0.02 -0.23 0.00 0.41 -0.25 0.00 0.00 175.29 175.25 2wks n GLY 8 N 4.72 -1.40 3.76 3.09 0.00 0.91 -1.46 105.19 114.82 2wks n GLY 8 Ca -0.19 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.89 2.43 0.00 1.61 -0.04 -0.95 -2.90 135.00 134.25 2wks n PRO 9 Ca 0.00 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 2wks n PRO 9 Cb 0.00 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 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 0.19 0.00 0.22 3.54 3.02 -1.26 -4.61 115.26 116.36 2wks n ASN 10 Ca 0.03 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.67 2wks n ASN 10 Cb 0.40 -0.09 0.49 0.00 -0.61 0.00 0.00 39.78 39.97 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 -0.76 3.41 3.38 -1.88 -1.04 115.31 118.42 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 0.26 0.00 -0.46 0.09 0.00 0.00 178.44 178.33 2wks n ASN 12 N -3.61 0.47 -0.40 -0.43 6.94 -1.26 -1.66 115.26 115.31 2wks n ASN 12 Ca -0.01 0.66 0.14 0.00 -0.02 0.00 0.00 54.58 55.35 2wks n ASN 12 Cb 0.39 -0.74 0.51 0.00 -2.36 0.00 0.00 39.78 37.58 2wks n ASN 12 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2wks n MET 13 N -2.06 1.42 -1.62 -3.83 2.81 -0.39 -4.80 117.12 108.64 2wks n MET 13 Ca 0.01 -0.80 -0.42 0.00 -1.81 0.00 0.00 57.70 54.68 2wks n MET 13 Cb 0.13 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 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 -0.09 2.59 0.00 4.03 4.77 -0.67 -3.55 117.00 124.08 2wks n LEU 14 Ca 0.18 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.27 2wks n LEU 14 Cb 0.34 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 2wks n LEU 14 CO 0.19 -1.24 0.00 0.61 -1.33 0.00 0.00 177.39 175.62 2wks n GLY 15 N 1.10 0.70 0.44 -0.72 0.00 -1.22 -4.36 105.19 101.14 2wks n GLY 15 Ca 0.08 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.37 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 0.46 -0.02 1.61 3.86 -1.84 0.26 115.15 119.48 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 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.34 2wks h HIS 16 CO 0.00 0.04 -0.41 0.54 0.86 0.00 0.00 177.93 178.96 2wks n ARG 17 N -4.51 1.27 -4.44 2.45 5.12 -1.26 -5.00 116.66 110.29 2wks n ARG 17 Ca 0.25 -1.02 -0.39 0.00 -1.93 0.00 0.00 57.85 54.76 2wks n ARG 17 Cb 0.98 -1.48 -0.07 0.00 -1.16 0.00 0.00 32.46 30.73 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 0.02 -1.53 -1.86 0.55 3.85 0.08 -4.84 116.55 112.81 2wks n ASP 18 Ca 0.10 -1.21 -0.02 0.00 -0.71 0.00 0.00 54.79 52.96 2wks n ASP 18 Cb 0.46 -1.83 -0.02 0.00 -1.35 0.00 0.00 41.12 38.38 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 -4.22 0.65 0.00 0.11 -0.02 -1.26 -4.82 135.00 125.44 2wks n PRO 19 Ca 0.02 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2wks n PRO 19 Cb 0.51 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 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 1.98 0.00 -0.15 -0.52 3.00 -1.26 -4.42 116.66 115.29 2wks n ARG 20 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.83 2wks n ARG 20 Cb 0.31 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.79 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 0.52 0.00 6.15 4.07 -2.04 -3.25 115.31 120.77 2wks h LEU 21 Ca 0.00 -0.01 -0.18 0.00 0.08 0.00 0.00 57.88 57.77 2wks h LEU 21 Cb 0.00 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 2wks h LEU 21 CO 0.00 0.38 -1.79 -1.22 -1.08 0.00 0.00 178.44 174.73 2wks n TYR 22 N -4.77 0.51 0.00 1.13 4.02 -1.26 -4.93 117.16 111.87 2wks n TYR 22 Ca 0.02 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 58.08 2wks n TYR 22 Cb 0.03 -0.94 0.00 0.00 -0.02 0.00 0.00 39.34 38.41 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 1.46 0.03 0.00 2.72 0.00 -1.23 -4.83 105.19 103.34 2wks n GLY 23 Ca -0.15 -2.14 0.04 0.00 0.00 0.00 0.00 46.02 43.78 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 2.50 -2.84 1.61 2.81 -1.26 -3.96 117.12 115.98 2wks n MET 24 Ca 0.00 -0.03 -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 -2.18 4.42 0.68 2.03 1.01 -1.26 -4.62 120.40 120.48 2wks s VAL 25 Ca 0.01 1.91 -0.07 0.00 0.00 0.00 0.00 61.98 63.83 2wks s VAL 25 Cb 0.06 -4.25 0.05 0.00 0.00 0.00 0.00 36.38 32.25 2wks s VAL 25 CO 0.38 0.41 0.99 0.42 0.00 0.00 0.00 175.10 177.30 2wks s THR 26 N -0.52 2.64 0.25 3.92 -4.23 -1.26 -3.37 115.64 113.07 2wks s THR 26 Ca 0.42 -0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.71 2wks s THR 26 Cb -0.23 -3.12 0.10 0.00 1.34 0.00 0.00 72.50 70.59 2wks s THR 26 CO 0.28 -0.13 1.74 0.25 -0.54 0.00 0.00 174.62 176.22 2wks h LEU 27 N -0.50 0.79 -0.50 4.79 5.85 -1.80 -0.89 115.31 123.05 2wks h LEU 27 Ca -0.45 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.06 2wks h LEU 27 Cb 1.30 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 2wks h LEU 27 CO 0.60 0.87 0.28 0.44 -0.34 0.00 0.00 178.44 180.29 2wks h ASP 28 N 0.76 0.63 -0.42 1.25 3.32 -1.95 -1.39 116.42 118.62 2wks h ASP 28 Ca 0.14 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2wks h ASP 28 Cb 0.49 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2wks h ASP 28 CO 0.02 0.53 0.27 1.56 -1.72 0.00 0.00 179.24 179.90 2wks h GLN 29 N 0.67 0.56 -0.52 3.56 4.20 -1.85 0.20 115.11 121.94 2wks h GLN 29 Ca 0.18 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 2wks h GLN 29 Cb 0.04 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2wks h GLN 29 CO -0.03 0.39 0.05 0.82 -0.67 0.00 0.00 178.83 179.39 2wks h ILE 30 N 0.58 1.26 -0.35 2.54 2.04 -0.44 -1.88 117.51 121.25 2wks h ILE 30 Ca 0.15 -1.00 -0.12 0.00 1.00 0.00 0.00 64.86 64.89 2wks h ILE 30 Cb -0.04 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2wks h ILE 30 CO -0.03 0.36 -0.27 0.45 0.00 0.00 0.00 178.15 178.66 2wks h HIS 31 N 0.75 0.83 0.14 1.37 3.86 -0.19 -2.07 115.15 119.84 2wks h HIS 31 Ca 0.15 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2wks h HIS 31 Cb 0.45 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.73 2wks h HIS 31 CO 0.03 0.91 -0.07 0.93 0.86 0.00 0.00 177.93 180.60 2wks h GLU 32 N 0.62 -0.19 -1.05 2.45 5.08 -0.58 -2.07 114.58 118.84 2wks h GLU 32 Ca 0.08 0.01 0.30 0.00 -1.00 0.00 0.00 59.36 58.76 2wks h GLU 32 Cb 0.78 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.94 2wks h GLU 32 CO 0.06 -0.10 0.63 0.82 -1.00 0.00 0.00 179.01 179.43 2wks h ILE 33 N -0.22 0.39 -0.17 3.13 2.04 -1.21 0.77 117.51 122.23 2wks h ILE 33 Ca -0.02 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 2wks h ILE 33 Cb 0.18 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2wks h ILE 33 CO 0.03 0.07 -0.18 0.24 0.00 0.00 0.00 178.15 178.31 2wks h MET 34 N 0.37 0.43 -0.01 2.37 2.86 -0.89 -1.61 114.93 118.45 2wks h MET 34 Ca 0.69 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 58.12 2wks h MET 34 Cb 1.64 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.29 2wks h MET 34 CO -0.48 0.80 -0.05 1.96 1.06 0.00 0.00 176.91 180.19 2wks h GLN 35 N 0.07 -0.09 -0.51 1.72 1.08 -0.41 -1.28 115.11 115.70 2wks h GLN 35 Ca 0.03 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.33 2wks h GLN 35 Cb 0.73 0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 28.08 2wks h GLN 35 CO 0.04 -0.06 -0.15 1.15 -0.95 0.00 0.00 178.83 178.87 2wks h THR 36 N -0.09 0.45 -0.94 -0.54 2.02 -0.95 0.53 112.91 113.39 2wks h THR 36 Ca 0.03 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.28 2wks h THR 36 Cb 0.13 0.45 -0.07 0.00 -1.74 0.00 0.00 68.15 66.92 2wks h THR 36 CO -0.07 0.00 0.60 0.15 0.37 0.00 0.00 175.52 176.57 2wks h PHE 37 N -0.03 1.11 -0.52 3.16 3.57 -0.83 0.31 116.94 123.71 2wks h PHE 37 Ca 0.24 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 2wks h PHE 37 Cb 0.40 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2wks h PHE 37 CO -0.45 0.56 0.10 0.28 -2.23 0.00 0.00 178.31 176.57 2wks h VAL 38 N 1.08 1.25 0.18 1.41 2.07 0.14 -2.90 116.25 119.47 2wks h VAL 38 Ca 0.41 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2wks h VAL 38 Cb 0.19 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2wks h VAL 38 CO -0.18 0.33 -0.08 0.11 0.02 0.00 0.00 177.57 177.76 2wks h LYS 39 N 0.73 -0.23 0.00 1.57 1.57 -0.66 -1.85 116.57 117.71 2wks h LYS 39 Ca 0.16 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2wks h LYS 39 Cb 0.38 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2wks h LYS 39 CO 0.01 0.19 0.00 1.04 -0.57 0.00 0.00 179.45 180.11 2wks n GLN 40 N -4.96 0.00 0.00 3.15 1.13 0.07 -0.05 117.38 116.72 2wks n GLN 40 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 2wks n GLN 40 Cb 0.26 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 -0.92 0.02 2.47 1.08 0.00 -1.10 -5.00 105.19 101.74 2wks n GLY 41 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.19 -5.47 -4.77 1.61 3.02 0.93 -4.94 115.26 105.46 2wks n ASN 42 Ca 0.00 0.25 -0.38 0.00 -0.03 0.00 0.00 54.58 54.42 2wks n ASN 42 Cb 0.07 -4.70 -0.00 0.00 -0.61 0.00 0.00 39.78 34.53 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 -5.32 4.04 -1.23 3.41 1.43 -0.74 -4.90 118.68 115.38 2wks s LEU 43 Ca 0.00 2.43 -0.07 0.00 -1.03 0.00 0.00 54.13 55.46 2wks s LEU 43 Cb 0.00 -4.16 0.20 0.00 0.03 0.00 0.00 46.19 42.26 2wks s LEU 43 CO 0.00 -0.97 1.85 -0.67 0.23 0.00 0.00 176.35 176.79 2wks n ASP 44 N -0.39 5.87 -3.80 2.29 2.03 -1.26 -4.81 116.55 116.47 2wks n ASP 44 Ca 0.07 -3.21 -0.18 0.00 0.52 0.00 0.00 54.79 51.99 2wks n ASP 44 Cb 0.47 -1.40 -0.17 0.00 -0.72 0.00 0.00 41.12 39.30 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 -0.74 0.18 -0.19 5.18 1.01 -1.26 -3.90 120.40 120.67 2wks s VAL 45 Ca 0.39 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.44 2wks s VAL 45 Cb 0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 2wks s VAL 45 CO 0.01 0.17 0.04 -1.61 0.00 0.00 0.00 175.10 173.71 2wks s GLU 46 N 1.28 3.82 -0.11 2.72 2.02 -0.31 -5.00 118.70 123.13 2wks s GLU 46 Ca -0.06 -0.42 -0.11 0.00 0.02 0.00 0.00 54.97 54.40 2wks s GLU 46 Cb -0.13 -3.17 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 2wks s GLU 46 CO -0.02 0.15 0.24 -0.51 0.02 0.00 0.00 175.26 175.14 2wks s LEU 47 N 0.67 4.35 -0.17 1.80 1.43 -1.26 -1.65 118.68 123.86 2wks s LEU 47 Ca 0.02 0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 53.65 2wks s LEU 47 Cb -0.14 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 2wks s LEU 47 CO 0.02 0.28 -0.07 -0.70 0.23 0.00 0.00 176.35 176.11 2wks s GLU 48 N -0.48 3.49 -0.11 1.70 2.12 -0.49 -4.97 118.70 119.96 2wks s GLU 48 Ca 0.16 -0.60 -0.06 0.00 0.36 0.00 0.00 54.97 54.83 2wks s GLU 48 Cb -0.13 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 2wks s GLU 48 CO 0.05 0.09 0.11 -0.06 -0.54 0.00 0.00 175.26 174.91 2wks s PHE 49 N 0.74 3.50 -0.09 5.30 0.08 -1.26 -0.80 117.98 125.45 2wks s PHE 49 Ca -0.03 0.45 -0.05 0.00 0.12 0.00 0.00 56.93 57.43 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 0.02 0.68 0.21 0.12 -0.10 0.00 0.00 175.22 176.14 2wks s PHE 50 N -1.00 -0.26 -0.04 0.36 5.36 0.38 -4.96 117.98 117.83 2wks s PHE 50 Ca 0.15 0.65 0.04 0.00 -0.96 0.00 0.00 56.93 56.81 2wks s PHE 50 Cb -0.12 0.01 -0.00 0.00 -0.34 0.00 0.00 43.02 42.57 2wks s PHE 50 CO 0.04 -0.19 -0.15 -1.14 -1.46 0.00 0.00 175.22 172.32 2wks s GLN 51 N 1.07 1.56 0.05 10.12 -0.44 -1.26 0.03 119.66 130.78 2wks s GLN 51 Ca -0.08 -0.53 -0.11 0.00 -2.50 0.00 0.00 55.36 52.14 2wks s GLN 51 Cb -0.09 -1.38 0.01 0.00 -1.64 0.00 0.00 33.01 29.91 2wks s GLN 51 CO -0.06 0.21 0.24 -0.08 0.50 0.00 0.00 175.29 176.10 2wks s THR 52 N 0.08 0.10 -2.97 -0.34 -1.32 -0.54 -4.97 115.64 105.68 2wks s THR 52 Ca -0.04 -0.82 0.24 0.00 -1.21 0.00 0.00 61.69 59.86 2wks s THR 52 Cb -0.11 -0.97 0.20 0.00 -1.51 0.00 0.00 72.50 70.12 2wks s THR 52 CO 0.02 -0.45 1.28 0.59 -2.21 0.00 0.00 174.62 173.84 2wks n ASN 53 N 0.55 2.92 -4.62 8.08 3.02 -1.26 -2.24 115.26 121.71 2wks n ASN 53 Ca -0.18 -1.97 -0.37 0.00 -0.03 0.00 0.00 54.58 52.02 2wks n ASN 53 Cb 0.60 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.67 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 -2.00 3.26 0.26 3.10 0.40 -1.26 -4.75 117.98 116.99 2wks s PHE 54 Ca 0.28 0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.78 2wks s PHE 54 Cb 0.20 -2.34 0.57 0.00 0.51 0.00 0.00 43.02 41.96 2wks s PHE 54 CO 0.30 -0.06 1.71 1.49 0.70 0.00 0.00 175.22 179.36 2wks h GLU 55 N 7.99 0.38 -0.35 0.44 4.81 -2.00 -1.41 114.58 124.44 2wks h GLU 55 Ca -0.36 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.79 2wks h GLU 55 Cb 1.18 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 2wks h GLU 55 CO 0.60 0.25 -0.01 0.78 -0.73 0.00 0.00 179.01 179.90 2wks h GLY 56 N 0.39 0.60 1.27 1.92 0.00 -1.99 -1.97 103.07 103.30 2wks h GLY 56 Ca 0.48 -0.36 -0.18 0.00 0.00 0.00 0.00 47.33 47.26 2wks h GLY 56 CO -0.48 0.34 -0.56 0.83 0.00 0.00 0.00 176.54 176.67 2wks h GLU 57 N 0.53 0.76 -0.52 4.80 5.08 -1.69 0.96 114.58 124.50 2wks h GLU 57 Ca 0.11 -0.49 0.05 0.00 -1.00 0.00 0.00 59.36 58.03 2wks h GLU 57 Cb 0.36 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2wks h GLU 57 CO 0.01 1.11 0.26 0.82 -1.00 0.00 0.00 179.01 180.21 2wks h ILE 58 N 0.58 0.94 -0.16 3.13 2.04 -1.01 0.72 117.51 123.75 2wks h ILE 58 Ca 0.01 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2wks h ILE 58 Cb 1.14 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2wks h ILE 58 CO 0.12 0.09 0.02 0.40 0.00 0.00 0.00 178.15 178.77 2wks h ILE 59 N 0.50 1.24 -0.49 -0.67 2.04 -1.18 -1.06 117.51 117.88 2wks h ILE 59 Ca 0.23 -0.77 0.10 0.00 1.00 0.00 0.00 64.86 65.42 2wks h ILE 59 Cb 0.15 1.43 -0.10 0.00 -0.74 0.00 0.00 36.82 37.57 2wks h ILE 59 CO -0.17 0.23 -0.15 0.44 0.00 0.00 0.00 178.15 178.50 2wks h ASP 60 N 0.04 -0.53 -0.37 1.72 5.19 -0.48 -0.71 116.42 121.27 2wks h ASP 60 Ca 0.05 0.15 -0.05 0.00 -0.62 0.00 0.00 57.03 56.56 2wks h ASP 60 Cb 0.34 0.33 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 2wks h ASP 60 CO 0.01 -0.19 0.04 0.50 -3.12 0.00 0.00 179.24 176.48 2wks h LYS 61 N -0.03 0.63 -0.52 3.56 1.63 -0.55 0.54 116.57 121.82 2wks h LYS 61 Ca 0.23 -0.18 0.08 0.00 -0.85 0.00 0.00 60.65 59.94 2wks h LYS 61 Cb 0.39 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.89 2wks h LYS 61 CO -0.52 0.71 0.15 0.82 -3.45 0.00 0.00 179.45 177.16 2wks h ILE 62 N 0.46 0.76 -0.59 2.00 2.04 -0.80 -1.84 117.51 119.54 2wks h ILE 62 Ca 0.11 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2wks h ILE 62 Cb 0.40 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2wks h ILE 62 CO 0.01 0.05 0.31 1.56 0.00 0.00 0.00 178.15 180.09 2wks h GLN 63 N 0.30 0.84 0.00 2.37 4.20 -0.59 -2.59 115.11 119.64 2wks h GLN 63 Ca 0.26 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 2wks h GLN 63 Cb 0.33 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2wks h GLN 63 CO -0.30 0.65 -0.02 0.93 -0.67 0.00 0.00 178.83 179.42 2wks h GLU 64 N 0.80 0.00 0.00 1.46 5.08 -0.36 -0.87 114.58 120.70 2wks h GLU 64 Ca 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2wks h GLU 64 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2wks h GLU 64 CO -0.03 0.02 -0.02 0.66 -1.00 0.00 0.00 179.01 178.64 2wks h SER 65 N 0.00 0.00 0.64 1.42 4.64 -0.93 -3.36 113.55 115.96 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 0.27 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2wks h SER 65 CO 0.00 0.02 -0.31 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 -2.88 116.25 115.18 2wks h VAL 66 Ca -0.00 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2wks h VAL 66 Cb 0.58 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2wks h VAL 66 CO 0.00 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 178.82 2wks h GLY 67 N -1.05 0.00 -0.89 2.17 0.00 -1.75 -3.46 103.07 98.08 2wks h GLY 67 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.87 2wks h GLY 67 CO 0.14 0.00 0.24 -1.14 0.00 0.00 0.00 176.54 175.78 2wks n SER 68 N -3.62 0.55 -1.82 0.19 3.41 -1.09 -4.95 113.62 106.29 2wks n SER 68 Ca -0.03 -1.64 -0.15 0.00 -0.26 0.00 0.00 58.87 56.79 2wks n SER 68 Cb 0.09 -0.71 0.04 0.00 -0.26 0.00 0.00 64.21 63.37 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 -3.36 5.93 -4.63 4.04 5.75 -1.26 -4.86 116.55 118.16 2wks n ASP 69 Ca 0.14 -2.98 -0.39 0.00 -0.01 0.00 0.00 54.79 51.55 2wks n ASP 69 Cb 0.48 -1.00 -0.08 0.00 -1.03 0.00 0.00 41.12 39.49 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 -1.68 3.29 0.05 2.11 4.12 -1.26 -4.12 117.35 119.86 2wks s TYR 70 Ca 0.29 0.52 0.07 0.00 0.02 0.00 0.00 57.07 57.97 2wks s TYR 70 Cb 0.23 -2.59 -0.23 0.00 -1.52 0.00 0.00 41.96 37.85 2wks s TYR 70 CO 0.00 -0.17 1.03 0.93 0.02 0.00 0.00 175.55 177.36 2wks h GLU 71 N 7.88 0.04 -2.47 -0.62 4.39 -1.27 -3.48 114.58 119.05 2wks h GLU 71 Ca -0.32 -0.07 0.12 0.00 0.34 0.00 0.00 59.36 59.43 2wks h GLU 71 Cb 1.16 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.73 2wks h GLU 71 CO 0.68 0.86 0.43 0.20 -1.16 0.00 0.00 179.01 180.02 2wks s GLY 72 N -4.86 -0.33 -0.05 -3.84 0.00 -1.24 -4.22 107.32 92.78 2wks s GLY 72 Ca -0.02 0.39 0.04 0.00 0.00 0.00 0.00 44.72 45.13 2wks s GLY 72 CO 0.83 0.11 -0.16 -0.42 0.00 0.00 0.00 173.10 173.46 2wks s ILE 73 N -3.35 1.37 -0.18 0.90 1.01 0.01 -1.85 121.20 119.10 2wks s ILE 73 Ca 0.09 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 2wks s ILE 73 Cb -0.02 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 2wks s ILE 73 CO -0.02 0.40 -0.02 -0.63 0.00 0.00 0.00 174.94 174.67 2wks s ILE 74 N 0.16 3.87 -0.02 2.92 1.01 -0.20 -0.79 121.20 128.15 2wks s ILE 74 Ca -0.06 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2wks s ILE 74 Cb -0.12 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.63 2wks s ILE 74 CO 0.03 0.45 -0.02 -0.51 0.00 0.00 0.00 174.94 174.89 2wks s ILE 75 N 0.80 0.26 -0.34 2.92 2.07 0.10 -0.92 121.20 126.09 2wks s ILE 75 Ca -0.00 -0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.22 2wks s ILE 75 Cb -0.14 -0.29 0.09 0.00 0.13 0.00 0.00 42.46 42.25 2wks s ILE 75 CO 0.02 0.13 0.05 0.21 -1.91 0.00 0.00 174.94 173.44 2wks s ASN 76 N 0.55 4.82 0.00 4.50 3.84 -0.46 -0.58 114.94 127.61 2wks s ASN 76 Ca -0.06 -1.96 0.26 0.00 0.21 0.00 0.00 52.86 51.31 2wks s ASN 76 Cb -0.09 -1.66 1.35 0.00 -0.55 0.00 0.00 41.25 40.30 2wks s ASN 76 CO -0.01 -0.37 1.89 -2.65 -2.79 0.00 0.00 177.10 173.17 2wks n PRO 77 N 4.37 0.43 0.00 0.43 -0.02 -1.26 -0.06 135.00 138.88 2wks n PRO 77 Ca -0.01 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2wks n PRO 77 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 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 0.90 2.03 0.32 -1.23 0.00 -1.26 -2.32 105.19 103.63 2wks n GLY 78 Ca 0.13 -0.46 0.19 0.00 0.00 0.00 0.00 46.02 45.88 2wks n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wks h ALA 79 N -0.86 1.15 0.00 4.61 0.00 -1.94 0.78 119.26 123.00 2wks h ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wks h ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wks h ALA 79 CO 0.00 -0.15 0.00 1.19 0.00 0.00 0.00 179.25 180.29 2wks n PHE 80 N -2.92 0.56 -0.05 0.00 3.72 -0.98 -3.01 117.46 114.78 2wks n PHE 80 Ca -0.02 0.22 0.02 0.00 -0.05 0.00 0.00 57.45 57.61 2wks n PHE 80 Cb 0.21 -0.85 0.35 0.00 -0.94 0.00 0.00 39.48 38.25 2wks n PHE 80 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2wks h SER 81 N 0.00 0.57 1.14 4.37 0.02 -0.97 0.55 113.55 119.22 2wks h SER 81 Ca 0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2wks h SER 81 Cb 0.35 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 2wks h SER 81 CO 0.00 0.46 -0.87 0.45 -1.14 0.00 0.00 176.83 175.73 2wks h HIS 82 N 0.66 0.00 0.00 3.45 3.86 -1.69 0.69 115.15 122.12 2wks h HIS 82 Ca 0.17 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 2wks h HIS 82 Cb 0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 2wks h HIS 82 CO 0.00 0.03 -1.19 0.25 0.86 0.00 0.00 177.93 177.89 2wks n THR 83 N -2.76 0.11 -3.17 2.45 -2.24 -1.03 -4.62 114.28 103.02 2wks n THR 83 Ca 0.00 -0.11 -0.46 0.00 -2.27 0.00 0.00 64.05 61.22 2wks n THR 83 Cb 0.56 -0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.88 6.78 0.34 3.42 0.15 0.16 -4.82 113.70 116.85 2wks s SER 84 Ca -0.01 -2.56 0.02 0.00 0.70 0.00 0.00 55.95 54.10 2wks s SER 84 Cb 0.02 -2.28 0.60 0.00 -1.71 0.00 0.00 66.02 62.64 2wks s SER 84 CO 0.14 -0.73 1.97 0.40 1.20 0.00 0.00 173.24 176.22 2wks h ILE 85 N 5.05 1.17 -0.46 6.45 2.04 -1.93 -2.12 117.51 127.71 2wks h ILE 85 Ca 0.14 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.61 2wks h ILE 85 Cb 1.01 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 2wks h ILE 85 CO 0.92 0.19 0.23 0.00 0.00 0.00 0.00 178.15 179.49 2wks h ALA 86 N 1.55 0.58 -0.39 1.87 0.00 -1.98 0.22 119.26 121.12 2wks h ALA 86 Ca 0.20 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 2wks h ALA 86 Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2wks h ALA 86 CO -0.03 -0.13 -0.27 0.82 0.00 0.00 0.00 179.25 179.64 2wks h ILE 87 N 0.45 1.27 -0.61 0.00 2.04 -1.86 -1.84 117.51 116.97 2wks h ILE 87 Ca 0.20 -1.42 0.07 0.00 1.00 0.00 0.00 64.86 64.72 2wks h ILE 87 Cb 0.11 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 2wks h ILE 87 CO -0.14 0.47 0.29 0.00 0.00 0.00 0.00 178.15 178.77 2wks h ALA 88 N 0.99 0.80 -0.32 1.87 0.00 -0.64 0.58 119.26 122.54 2wks h ALA 88 Ca 0.08 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2wks h ALA 88 Cb 0.81 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2wks h ALA 88 CO 0.07 -0.09 0.12 -0.44 0.00 0.00 0.00 179.25 178.91 2wks h ASP 89 N 0.52 0.45 -0.64 0.00 3.32 -0.22 -1.57 116.42 118.28 2wks h ASP 89 Ca 0.29 -0.18 0.10 0.00 0.02 0.00 0.00 57.03 57.26 2wks h ASP 89 Cb 0.26 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.62 2wks h ASP 89 CO -0.23 0.51 0.25 0.00 -1.72 0.00 0.00 179.24 178.06 2wks h ALA 90 N 0.96 0.85 -0.93 3.45 0.00 -0.69 -0.85 119.26 122.05 2wks h ALA 90 Ca 0.11 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2wks h ALA 90 Cb 0.21 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2wks h ALA 90 CO -0.01 -0.17 0.61 0.82 0.00 0.00 0.00 179.25 180.51 2wks h ILE 91 N 0.44 1.24 -0.07 0.00 2.04 -0.57 -2.52 117.51 118.07 2wks h ILE 91 Ca 0.33 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 2wks h ILE 91 Cb 0.41 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 2wks h ILE 91 CO -0.31 0.23 -0.24 0.24 0.00 0.00 0.00 178.15 178.06 2wks h MET 92 N 1.26 0.12 -0.30 2.37 2.86 -0.19 -2.66 114.93 118.40 2wks h MET 92 Ca 0.34 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2wks h MET 92 Cb -0.15 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.50 2wks h MET 92 CO -0.07 0.36 0.00 1.47 1.06 0.00 0.00 176.91 179.73 2wks n LEU 93 N -4.20 2.33 0.23 1.22 -0.00 -0.58 -4.24 117.00 111.76 2wks n LEU 93 Ca -0.02 -1.03 0.15 0.00 -0.00 0.00 0.00 56.01 55.11 2wks n LEU 93 Cb 0.33 -0.19 0.59 0.00 -0.00 0.00 0.00 43.42 44.14 2wks n LEU 93 CO 0.38 0.52 0.94 0.00 -0.00 0.00 0.00 177.39 179.23 2wks h ALA 94 N 4.12 1.00 -7.03 1.47 0.00 -1.08 -3.47 119.26 114.27 2wks h ALA 94 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 2wks h ALA 94 Cb 0.65 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.23 2wks h ALA 94 CO 0.00 0.00 -0.95 0.41 0.00 0.00 0.00 179.25 178.71 2wks n GLY 95 N 0.17 -0.16 3.49 0.00 0.00 -1.26 -4.80 105.19 102.63 2wks n GLY 95 Ca 0.01 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 -7.28 0.91 0.14 1.61 -2.85 -1.26 -5.12 119.74 105.89 2wks s LYS 96 Ca 0.08 -0.26 -0.32 0.00 -1.00 0.00 0.00 55.97 54.47 2wks s LYS 96 Cb -0.05 0.42 -0.12 0.00 -2.06 0.00 0.00 37.83 36.02 2wks s LYS 96 CO 0.99 -0.38 1.76 -2.30 0.10 0.00 0.00 175.35 175.52 2wks n PRO 97 N -0.11 2.64 -5.17 1.78 -0.02 -1.26 -4.84 135.00 128.02 2wks n PRO 97 Ca -0.11 0.96 -0.31 0.00 -2.02 0.00 0.00 63.50 62.01 2wks n PRO 97 Cb 0.62 -2.81 -0.17 0.00 -0.02 0.00 0.00 33.50 31.12 2wks n PRO 97 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wks s VAL 98 N 2.00 1.95 -0.12 -1.45 1.01 -1.26 -0.81 120.40 121.72 2wks s VAL 98 Ca 0.80 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2wks s VAL 98 Cb -0.54 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.17 2wks s VAL 98 CO 0.37 0.54 -0.23 -0.63 0.00 0.00 0.00 175.10 175.15 2wks s ILE 99 N 0.19 2.07 -0.11 2.22 1.01 0.03 -1.91 121.20 124.71 2wks s ILE 99 Ca -0.13 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.38 2wks s ILE 99 Cb -0.16 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 2wks s ILE 99 CO 0.07 0.55 0.35 -0.70 0.00 0.00 0.00 174.94 175.21 2wks s GLU 100 N 0.58 4.13 -0.02 2.79 2.12 -0.79 0.02 118.70 127.54 2wks s GLU 100 Ca -0.13 0.24 0.08 0.00 0.36 0.00 0.00 54.97 55.53 2wks s GLU 100 Cb -0.17 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 2wks s GLU 100 CO 0.03 0.38 -0.26 0.08 -0.54 0.00 0.00 175.26 174.95 2wks s VAL 101 N -0.00 2.08 -0.06 3.70 1.01 0.25 -0.79 120.40 126.60 2wks s VAL 101 Ca 0.20 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2wks s VAL 101 Cb -0.14 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.53 2wks s VAL 101 CO 0.08 0.56 -0.10 -1.00 0.00 0.00 0.00 175.10 174.64 2wks s HIS 102 N -0.63 1.22 0.12 5.22 3.76 0.49 -4.11 115.29 121.35 2wks s HIS 102 Ca 0.10 -0.43 -0.25 0.00 -0.15 0.00 0.00 55.06 54.34 2wks s HIS 102 Cb -0.10 -0.93 -0.06 0.00 1.11 0.00 0.00 32.58 32.60 2wks s HIS 102 CO -0.01 -0.25 1.65 -0.07 -0.85 0.00 0.00 174.74 175.22 2wks h LEU 103 N 7.02 -0.62-10.21 0.89 3.38 -1.87 -1.45 115.31 112.46 2wks h LEU 103 Ca -0.33 0.09 -0.48 0.00 0.09 0.00 0.00 57.88 57.24 2wks h LEU 103 Cb 1.18 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2wks h LEU 103 CO 0.48 -0.28 -0.23 0.42 0.09 0.00 0.00 178.44 178.91 2wks s THR 104 N -6.09 5.13 -0.87 0.22 -4.23 -1.26 -1.88 115.64 106.66 2wks s THR 104 Ca -0.15 -0.51 -0.25 0.00 -1.18 0.00 0.00 61.69 59.60 2wks s THR 104 Cb 0.09 -3.85 0.03 0.00 1.34 0.00 0.00 72.50 70.11 2wks s THR 104 CO 0.66 -0.49 1.47 0.21 -0.54 0.00 0.00 174.62 175.94 2wks s ASN 105 N -3.92 6.12 0.27 3.99 3.84 -1.26 -2.89 114.94 121.09 2wks s ASN 105 Ca 0.39 -0.84 0.23 0.00 0.21 0.00 0.00 52.86 52.85 2wks s ASN 105 Cb -0.10 -2.56 1.01 0.00 -0.55 0.00 0.00 41.25 39.05 2wks s ASN 105 CO 0.34 -1.84 1.69 2.30 -2.79 0.00 0.00 177.10 176.81 2wks n ILE 106 N 6.83 0.88 0.23 -5.21 -5.35 -1.26 -0.33 119.36 115.15 2wks n ILE 106 Ca 0.21 0.34 0.06 0.00 -0.27 0.00 0.00 62.75 63.09 2wks n ILE 106 Cb 0.50 -1.28 0.53 0.00 -1.74 0.00 0.00 39.64 37.65 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 -0.54 6.28 1.08 -1.87 -3.24 115.11 116.81 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 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2wks h GLN 107 CO 0.00 0.16 0.00 0.00 -0.95 0.00 0.00 178.83 178.04 2wks n ALA 108 N -2.50 3.72 -3.17 3.87 0.00 0.55 -4.95 120.51 118.03 2wks n ALA 108 Ca -0.02 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.46 2wks n ALA 108 Cb 0.23 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.52 3.09 -1.28 0.00 1.74 -1.22 -5.05 116.66 114.46 2wks n ARG 109 Ca 0.27 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.98 2wks n ARG 109 Cb 1.14 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.63 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 -0.07 0.26 -0.21 5.56 4.71 -1.26 -4.85 120.64 124.78 2wks n GLU 110 Ca 0.00 0.11 0.01 0.00 -0.01 0.00 0.00 57.16 57.27 2wks n GLU 110 Cb 0.00 -1.55 0.12 0.00 -1.01 0.00 0.00 31.44 29.00 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 -0.21 0.35 0.00 3.49 4.57 -1.97 -2.18 114.58 118.63 2wks h GLU 111 Ca -0.44 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2wks h GLU 111 Cb 1.38 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 2wks h GLU 111 CO 0.42 0.23 0.00 1.97 -1.18 0.00 0.00 179.01 180.45 2wks n PHE 112 N -5.05 0.00 0.72 0.92 1.16 -1.26 -1.81 117.46 112.15 2wks n PHE 112 Ca 0.10 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.75 2wks n PHE 112 Cb 0.32 -0.47 -0.04 0.00 -1.61 0.00 0.00 39.48 37.67 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 -1.47 1.78 0.00 3.97 1.74 -0.82 -4.62 116.66 117.23 2wks n ARG 113 Ca 0.01 -0.44 -0.18 0.00 -0.77 0.00 0.00 57.85 56.47 2wks n ARG 113 Cb 0.02 -1.26 -0.10 0.00 -1.02 0.00 0.00 32.46 30.11 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 0.98 0.50 -6.70 5.56 1.57 -1.37 -3.44 116.57 113.67 2wks h LYS 114 Ca 0.00 -0.50 -0.52 0.00 -1.87 0.00 0.00 60.65 57.76 2wks h LYS 114 Cb 0.47 0.13 0.07 0.00 0.08 0.00 0.00 32.23 32.97 2wks h LYS 114 CO 0.00 1.13 0.94 1.21 -0.57 0.00 0.00 179.45 182.17 2wks s ASN 115 N -6.83 6.41 -0.31 0.86 2.47 -1.26 -4.81 114.94 111.47 2wks s ASN 115 Ca -0.12 2.86 -0.01 0.00 0.42 0.00 0.00 52.86 56.01 2wks s ASN 115 Cb 0.05 -2.61 0.10 0.00 -1.45 0.00 0.00 41.25 37.33 2wks s ASN 115 CO 0.84 -0.92 0.09 -0.55 -3.72 0.00 0.00 177.10 172.84 2wks s SER 116 N 0.91 4.04 0.11 -4.21 0.15 -1.26 -4.11 113.70 109.33 2wks s SER 116 Ca 0.70 -1.64 -0.21 0.00 0.70 0.00 0.00 55.95 55.49 2wks s SER 116 Cb -0.48 -0.90 -0.09 0.00 -1.71 0.00 0.00 66.02 62.83 2wks s SER 116 CO 0.38 -0.41 1.74 1.88 1.20 0.00 0.00 173.24 178.02 2wks h TYR 117 N 8.07 0.01 -0.51 3.44 0.05 -1.11 -1.69 116.97 125.22 2wks h TYR 117 Ca -0.13 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.66 2wks h TYR 117 Cb 1.02 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.74 2wks h TYR 117 CO 0.36 0.00 0.32 1.79 -1.05 0.00 0.00 178.16 179.59 2wks h THR 118 N 0.05 1.15 -0.64 -2.88 1.35 -1.79 -2.83 112.91 107.31 2wks h THR 118 Ca 0.04 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2wks h THR 118 Cb 0.04 0.43 -0.03 0.00 -1.73 0.00 0.00 68.15 66.86 2wks h THR 118 CO -0.07 0.15 0.40 1.23 -0.25 0.00 0.00 175.52 176.98 2wks h GLY 119 N 0.69 0.91 1.94 5.82 0.00 -1.74 -1.40 103.07 109.29 2wks h GLY 119 Ca 0.19 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 2wks h GLY 119 CO -0.04 0.35 -0.23 0.00 0.00 0.00 0.00 176.54 176.62 2wks h ALA 120 N 1.57 1.53 0.00 3.60 0.00 -1.08 -2.58 119.26 122.31 2wks h ALA 120 Ca 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wks h ALA 120 Cb -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2wks h ALA 120 CO -0.05 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.55 2wks h ALA 121 N 1.70 1.00 -2.29 0.00 0.00 -1.15 -3.46 119.26 115.06 2wks h ALA 121 Ca 0.01 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.43 2wks h ALA 121 Cb 0.45 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.28 2wks h ALA 121 CO 0.03 0.00 0.31 0.00 0.00 0.00 0.00 179.25 179.59 2wks h GLY 123 N 0.44 1.07 -2.58 0.00 0.00 -1.66 -3.47 103.07 96.87 2wks h GLY 123 Ca -0.46 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.31 2wks h GLY 123 CO 0.62 0.51 0.03 -0.32 0.00 0.00 0.00 176.54 177.38 2wks s GLY 124 N -3.47 -0.06 -0.03 4.60 0.00 -1.25 -5.10 107.32 102.01 2wks s GLY 124 Ca -0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 44.72 44.34 2wks s GLY 124 CO 0.81 -0.27 0.06 0.14 0.00 0.00 0.00 173.10 173.84 2wks s VAL 125 N -3.88 -0.01 -0.09 1.40 1.01 -1.26 -1.88 120.40 115.68 2wks s VAL 125 Ca 0.10 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.15 2wks s VAL 125 Cb -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.28 2wks s VAL 125 CO -0.02 0.02 -0.13 -0.63 0.00 0.00 0.00 175.10 174.34 2wks s ILE 126 N 0.31 1.28 0.01 2.22 1.01 0.03 -4.99 121.20 121.08 2wks s ILE 126 Ca -0.02 -0.52 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 2wks s ILE 126 Cb -0.04 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.24 2wks s ILE 126 CO -0.01 0.40 -0.00 0.00 0.00 0.00 0.00 174.94 175.32 2wks s MET 127 N 0.99 0.13 0.00 2.79 0.23 -1.26 -0.38 119.30 121.80 2wks s MET 127 Ca -0.08 -0.23 0.00 0.00 -1.03 0.00 0.00 55.69 54.35 2wks s MET 127 Cb -0.15 0.05 0.00 0.00 -1.53 0.00 0.00 34.83 33.20 2wks s MET 127 CO -0.01 -0.02 0.00 0.41 -2.03 0.00 0.00 175.02 173.37 2wks n GLY 128 N 2.48 0.88 1.00 3.16 0.00 -0.55 -4.73 105.19 107.44 2wks n GLY 128 Ca -0.17 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.22 0.97 -4.52 1.61 3.01 -1.03 -4.65 117.46 110.63 2wks n PHE 129 Ca 0.00 -0.72 0.00 0.00 1.01 0.00 0.00 57.45 57.74 2wks n PHE 129 Cb 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 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 0.09 0.95 0.33 1.37 0.00 -0.79 -2.94 105.19 104.21 2wks n GLY 130 Ca 0.20 -0.74 0.16 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.91 1.61 0.11 -1.92 -1.40 132.00 129.50 2wks h PRO 131 Ca 0.00 0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.33 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 0.61 1.25 -0.21 0.00 0.00 178.00 179.65 2wks h LEU 132 N 0.00 0.34 -1.62 2.35 5.85 -1.96 -1.03 115.31 119.24 2wks h LEU 132 Ca 0.14 0.04 0.17 0.00 0.84 0.00 0.00 57.88 59.06 2wks h LEU 132 Cb 0.58 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 2wks h LEU 132 CO -0.00 0.13 0.52 1.23 -0.34 0.00 0.00 178.44 179.98 2wks h GLY 133 N 0.33 0.66 1.21 3.75 0.00 -1.29 -0.71 103.07 107.02 2wks h GLY 133 Ca 0.47 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.57 2wks h GLY 133 CO -0.16 0.04 0.11 -0.97 0.00 0.00 0.00 176.54 175.56 2wks h TYR 134 N 0.36 1.02 -0.14 5.60 -1.99 -1.38 -1.09 116.97 119.35 2wks h TYR 134 Ca 0.39 -0.12 -0.15 0.00 2.00 0.00 0.00 58.73 60.84 2wks h TYR 134 Cb 0.97 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 39.41 2wks h TYR 134 CO -0.00 0.86 -0.56 -0.91 -0.00 0.00 0.00 178.16 177.55 2wks h ASN 135 N 0.92 0.47 -0.72 3.88 2.35 -1.27 -0.16 115.58 121.05 2wks h ASN 135 Ca 0.19 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2wks h ASN 135 Cb 0.38 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 2wks h ASN 135 CO 0.01 0.93 0.40 0.24 -1.65 0.00 0.00 177.43 177.35 2wks h MET 136 N 0.32 1.01 -0.34 0.81 2.86 -1.12 0.16 114.93 118.64 2wks h MET 136 Ca 0.00 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 2wks h MET 136 Cb 1.07 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 2wks h MET 136 CO 0.10 0.75 -0.10 0.00 1.06 0.00 0.00 176.91 178.71 2wks h ALA 137 N 1.42 0.47 -0.03 6.32 0.00 -0.40 -1.32 119.26 125.72 2wks h ALA 137 Ca 0.26 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2wks h ALA 137 Cb 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2wks h ALA 137 CO -0.04 0.34 -0.17 -0.07 0.00 0.00 0.00 179.25 179.31 2wks h LEU 138 N 0.46 -0.49 -0.54 0.00 3.38 -0.46 0.20 115.31 117.86 2wks h LEU 138 Ca 0.08 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.24 2wks h LEU 138 Cb 0.61 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.47 2wks h LEU 138 CO 0.04 -0.22 -0.08 -0.03 0.09 0.00 0.00 178.44 178.23 2wks h MET 139 N -0.26 0.04 -0.47 1.13 4.05 -0.51 -1.08 114.93 117.83 2wks h MET 139 Ca 0.06 -0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.36 2wks h MET 139 Cb 0.34 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 2wks h MET 139 CO -0.18 0.03 -0.18 0.00 0.23 0.00 0.00 176.91 176.81 2wks h ALA 140 N 1.53 0.65 0.01 0.39 0.00 -0.75 -2.00 119.26 119.10 2wks h ALA 140 Ca 0.27 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2wks h ALA 140 Cb 0.42 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2wks h ALA 140 CO -0.52 0.61 -0.13 1.98 0.00 0.00 0.00 179.25 181.18 2wks h MET 141 N 0.79 -0.22 -0.86 0.00 -1.53 -0.16 0.34 114.93 113.29 2wks h MET 141 Ca 0.11 0.01 0.10 0.00 -3.44 0.00 0.00 59.70 56.49 2wks h MET 141 Cb 0.75 0.05 -0.08 0.00 -0.55 0.00 0.00 31.60 31.77 2wks h MET 141 CO 0.06 -0.15 0.49 0.28 0.14 0.00 0.00 176.91 177.74 2wks h VAL 142 N -0.23 0.89 -0.42 -5.77 2.07 -1.10 -0.18 116.25 111.51 2wks h VAL 142 Ca 0.04 -0.28 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 2wks h VAL 142 Cb 0.28 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2wks h VAL 142 CO -0.12 0.15 -0.24 0.78 0.02 0.00 0.00 177.57 178.16 2wks h ASN 143 N 0.81 0.89 -0.41 0.57 2.35 -0.96 -0.57 115.58 118.25 2wks h ASN 143 Ca 0.42 -0.34 -0.15 0.00 -0.55 0.00 0.00 56.30 55.69 2wks h ASN 143 Cb 0.42 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 2wks h ASN 143 CO -0.26 1.08 -0.31 0.40 -1.65 0.00 0.00 177.43 176.69 2wks h ILE 144 N 0.75 1.27 -0.10 2.81 2.04 -0.47 -1.29 117.51 122.53 2wks h ILE 144 Ca 0.10 -1.48 -0.05 0.00 1.00 0.00 0.00 64.86 64.43 2wks h ILE 144 Cb 0.78 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2wks h ILE 144 CO 0.06 0.50 -0.12 -0.07 0.00 0.00 0.00 178.15 178.52 2wks h LEU 145 N 0.76 0.27 -0.77 1.44 3.38 -1.03 -1.27 115.31 118.09 2wks h LEU 145 Ca 0.08 -0.51 0.18 0.00 0.09 0.00 0.00 57.88 57.71 2wks h LEU 145 Cb 0.90 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.45 2wks h LEU 145 CO 0.08 0.73 0.16 0.00 0.09 0.00 0.00 178.44 179.51 2wks h ALA 146 N 0.55 0.99 0.00 1.53 0.00 -1.06 -1.39 119.26 119.88 2wks h ALA 146 Ca 0.01 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2wks h ALA 146 Cb 0.67 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2wks h ALA 146 CO 0.03 -0.37 -0.53 1.49 0.00 0.00 0.00 179.25 179.87 2wks h GLU 147 N 0.23 0.00 -0.31 0.00 4.81 -1.06 -0.24 114.58 118.03 2wks h GLU 147 Ca 0.44 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.52 2wks h GLU 147 Cb 0.79 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 2wks h GLU 147 CO -0.56 0.53 -0.40 0.52 -0.73 0.00 0.00 179.01 178.36 2wks h MET 148 N 0.00 0.82 0.00 1.92 2.86 -0.22 -3.09 114.93 117.22 2wks h MET 148 Ca -0.01 -0.47 -0.19 0.00 -2.06 0.00 0.00 59.70 56.97 2wks h MET 148 Cb 1.14 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.81 2wks h MET 148 CO 0.07 1.10 -1.01 0.87 1.06 0.00 0.00 176.91 179.00 2wks h LYS 149 N 0.59 0.00 0.03 1.72 1.57 -1.21 -3.05 116.57 116.23 2wks h LYS 149 Ca 0.04 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2wks h LYS 149 Cb 1.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 2wks h LYS 149 CO 0.10 0.77 -0.15 0.00 -0.57 0.00 0.00 179.45 179.60 2wks h ALA 150 N 1.14 -0.20 -0.97 3.86 0.00 -1.10 -3.02 119.26 118.96 2wks h ALA 150 Ca -0.06 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2wks h ALA 150 Cb 1.71 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.70 2wks h ALA 150 CO 0.10 -0.65 0.64 0.35 0.00 0.00 0.00 179.25 179.69 2wks h PHE 151 N -0.27 1.23 -0.96 0.00 -0.00 -1.59 -2.75 116.94 112.60 2wks h PHE 151 Ca 0.04 0.02 0.09 0.00 -0.00 0.00 0.00 57.97 58.12 2wks h PHE 151 Cb 0.31 -0.41 -0.12 0.00 -0.00 0.00 0.00 35.95 35.73 2wks h PHE 151 CO -0.19 0.78 -0.57 0.94 -0.00 0.00 0.00 178.31 179.27 2wks n GLN 152 N -4.40 -0.42 0.00 1.11 7.27 -1.15 -5.14 117.38 114.65 2wks n GLN 152 Ca 0.11 1.46 0.01 0.00 0.07 0.00 0.00 57.00 58.65 2wks n GLN 152 Cb 0.02 -2.15 0.05 0.00 2.41 0.00 0.00 30.24 30.57 2wks n GLN 152 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52