#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 4.20 -0.16 2.12 1.02 -1.26 -1.49 119.74 124.17 2wks s LYS 2 Ca 0.00 0.30 -0.03 0.00 0.02 0.00 0.00 55.97 56.26 2wks s LYS 2 Cb 0.00 -3.53 -0.02 0.00 -0.52 0.00 0.00 37.83 33.76 2wks s LYS 2 CO 0.00 -0.05 -0.05 0.42 -0.92 0.00 0.00 175.35 174.75 2wks s ILE 3 N 1.32 3.67 -0.24 2.17 -1.09 -0.61 -0.89 121.20 125.53 2wks s ILE 3 Ca 0.21 -0.43 -0.15 0.00 -2.23 0.00 0.00 60.65 58.05 2wks s ILE 3 Cb -0.15 -2.61 -0.04 0.00 -1.58 0.00 0.00 42.46 38.08 2wks s ILE 3 CO 0.09 0.48 0.38 -0.22 -1.23 0.00 0.00 174.94 174.44 2wks s LEU 4 N 0.56 4.09 -0.34 2.97 2.96 -0.68 -1.44 118.68 126.80 2wks s LEU 4 Ca -0.04 0.38 -0.10 0.00 -0.22 0.00 0.00 54.13 54.16 2wks s LEU 4 Cb -0.15 -2.46 0.01 0.00 0.50 0.00 0.00 46.19 44.10 2wks s LEU 4 CO 0.03 -0.14 0.17 -0.69 -1.32 0.00 0.00 176.35 174.40 2wks s VAL 5 N 1.73 4.51 -0.20 1.68 1.01 -0.17 -0.98 120.40 127.98 2wks s VAL 5 Ca 0.17 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 2wks s VAL 5 Cb -0.15 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2wks s VAL 5 CO 0.09 -0.07 0.05 -0.63 0.00 0.00 0.00 175.10 174.54 2wks s ILE 6 N 1.57 4.51 -0.21 2.22 1.01 0.17 -0.87 121.20 129.60 2wks s ILE 6 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 2wks s ILE 6 Cb -0.18 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.25 2wks s ILE 6 CO 0.06 0.42 -0.12 -1.10 0.00 0.00 0.00 174.94 174.20 2wks s GLN 7 N 0.83 2.99 0.00 2.79 -1.52 0.13 -1.11 119.66 123.77 2wks s GLN 7 Ca 0.03 -0.86 0.00 0.00 -1.95 0.00 0.00 55.36 52.58 2wks s GLN 7 Cb -0.14 -2.82 0.00 0.00 -0.22 0.00 0.00 33.01 29.83 2wks s GLN 7 CO 0.02 -0.29 0.00 0.41 -0.25 0.00 0.00 175.29 175.19 2wks n GLY 8 N 4.67 -1.49 3.70 3.09 0.00 0.82 -1.39 105.19 114.58 2wks n GLY 8 Ca -0.19 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.14 1.95 0.00 1.61 -0.04 -0.90 -2.94 135.00 133.55 2wks n PRO 9 Ca 0.00 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 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 0.35 0.00 0.25 3.54 3.02 -1.26 -4.60 115.26 116.56 2wks n ASN 10 Ca 0.06 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.73 2wks n ASN 10 Cb 0.39 -0.15 0.64 0.00 -0.61 0.00 0.00 39.78 40.04 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 -0.81 3.41 3.38 -1.88 -0.63 115.31 118.78 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 0.15 0.00 -0.46 0.09 0.00 0.00 178.44 178.22 2wks n ASN 12 N -3.49 0.62 -0.39 -0.43 6.94 -1.26 -2.07 115.26 115.17 2wks n ASN 12 Ca -0.01 0.68 0.14 0.00 -0.02 0.00 0.00 54.58 55.37 2wks n ASN 12 Cb 0.31 -0.80 0.58 0.00 -2.36 0.00 0.00 39.78 37.51 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 -2.21 1.51 -1.66 -3.83 2.81 -0.24 -4.78 117.12 108.72 2wks n MET 13 Ca 0.01 -0.79 -0.42 0.00 -1.81 0.00 0.00 57.70 54.69 2wks n MET 13 Cb 0.19 -1.48 -0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 -0.05 3.06 0.00 4.03 4.77 -0.88 -3.71 117.00 124.22 2wks n LEU 14 Ca 0.19 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.32 2wks n LEU 14 Cb 0.32 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 2wks n LEU 14 CO 0.17 -0.92 0.00 0.61 -1.33 0.00 0.00 177.39 175.92 2wks n GLY 15 N 0.96 0.99 0.41 -0.72 0.00 -1.23 -4.34 105.19 101.26 2wks n GLY 15 Ca 0.07 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.33 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 0.66 -0.02 1.61 3.86 -1.84 0.56 115.15 119.98 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 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.28 2wks h HIS 16 CO 0.00 0.03 -0.37 0.54 0.86 0.00 0.00 177.93 178.99 2wks n ARG 17 N -4.65 1.34 -4.43 2.45 5.12 -1.26 -5.00 116.66 110.24 2wks n ARG 17 Ca 0.27 -1.08 -0.39 0.00 -1.93 0.00 0.00 57.85 54.72 2wks n ARG 17 Cb 0.93 -1.48 -0.07 0.00 -1.16 0.00 0.00 32.46 30.67 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 0.11 -1.36 -1.86 0.55 3.85 0.19 -4.85 116.55 113.17 2wks n ASP 18 Ca 0.11 -1.21 -0.02 0.00 -0.71 0.00 0.00 54.79 52.96 2wks n ASP 18 Cb 0.47 -1.82 -0.02 0.00 -1.35 0.00 0.00 41.12 38.40 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 -4.24 0.65 0.00 0.11 -0.02 -1.26 -4.81 135.00 125.43 2wks n PRO 19 Ca -0.00 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2wks n PRO 19 Cb 0.52 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 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 1.99 0.00 -0.23 -0.52 3.00 -1.26 -4.40 116.66 115.24 2wks n ARG 20 Ca 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.85 2wks n ARG 20 Cb 0.32 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.82 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 0.76 0.00 6.15 4.07 -2.04 -3.20 115.31 121.05 2wks h LEU 21 Ca 0.00 -0.03 -0.19 0.00 0.08 0.00 0.00 57.88 57.74 2wks h LEU 21 Cb 0.00 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.52 2wks h LEU 21 CO 0.00 0.56 -1.78 -1.22 -1.08 0.00 0.00 178.44 174.92 2wks n TYR 22 N -4.62 0.53 0.00 1.13 4.02 -1.26 -4.93 117.16 112.04 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 0.03 -0.95 0.00 0.00 -0.02 0.00 0.00 39.34 38.40 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 -0.01 0.00 2.72 0.00 -1.21 -4.82 105.19 103.33 2wks n GLY 23 Ca -0.15 -2.14 0.04 0.00 0.00 0.00 0.00 46.02 43.77 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 2.48 -3.03 1.61 2.81 -1.26 -3.93 117.12 115.80 2wks n MET 24 Ca 0.00 -0.03 -0.40 0.00 -1.81 0.00 0.00 57.70 55.46 2wks n MET 24 Cb 0.00 -1.02 -0.05 0.00 -0.71 0.00 0.00 33.22 31.43 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 -2.13 4.73 0.72 2.03 1.01 -1.26 -4.61 120.40 120.89 2wks s VAL 25 Ca 0.00 1.55 -0.10 0.00 0.00 0.00 0.00 61.98 63.44 2wks s VAL 25 Cb 0.06 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.40 2wks s VAL 25 CO 0.34 0.39 1.07 0.42 0.00 0.00 0.00 175.10 177.32 2wks s THR 26 N -0.21 2.77 0.25 3.92 -4.23 -1.26 -3.56 115.64 113.31 2wks s THR 26 Ca 0.37 0.08 -0.04 0.00 -1.18 0.00 0.00 61.69 60.92 2wks s THR 26 Cb -0.20 -3.21 0.14 0.00 1.34 0.00 0.00 72.50 70.56 2wks s THR 26 CO 0.22 -0.26 1.78 0.25 -0.54 0.00 0.00 174.62 176.07 2wks h LEU 27 N -0.70 0.88 -0.49 4.79 5.85 -1.80 -1.17 115.31 122.68 2wks h LEU 27 Ca -0.45 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.08 2wks h LEU 27 Cb 1.29 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2wks h LEU 27 CO 0.63 0.87 0.26 0.44 -0.34 0.00 0.00 178.44 180.30 2wks h ASP 28 N 0.90 0.62 -0.46 1.25 3.32 -1.95 -1.23 116.42 118.88 2wks h ASP 28 Ca 0.19 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2wks h ASP 28 Cb 0.34 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2wks h ASP 28 CO 0.00 0.55 0.28 1.56 -1.72 0.00 0.00 179.24 179.92 2wks h GLN 29 N 0.65 0.63 -0.40 3.56 4.20 -1.85 0.19 115.11 122.10 2wks h GLN 29 Ca 0.17 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 2wks h GLN 29 Cb 0.08 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2wks h GLN 29 CO -0.03 0.44 -0.05 0.82 -0.67 0.00 0.00 178.83 179.35 2wks h ILE 30 N 0.64 1.27 -0.52 2.54 2.04 -0.53 -1.28 117.51 121.68 2wks h ILE 30 Ca 0.17 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.85 2wks h ILE 30 Cb -0.02 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2wks h ILE 30 CO -0.03 0.37 0.03 0.45 0.00 0.00 0.00 178.15 178.97 2wks h HIS 31 N 0.55 0.90 -0.14 1.37 3.86 -0.32 -1.72 115.15 119.65 2wks h HIS 31 Ca 0.11 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2wks h HIS 31 Cb 0.55 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 2wks h HIS 31 CO 0.04 0.81 0.08 0.93 0.86 0.00 0.00 177.93 180.65 2wks h GLU 32 N 0.79 0.20 -1.00 2.45 5.08 -0.51 -2.11 114.58 119.49 2wks h GLU 32 Ca 0.16 -0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.72 2wks h GLU 32 Cb 0.44 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.55 2wks h GLU 32 CO 0.02 0.21 0.63 0.82 -1.00 0.00 0.00 179.01 179.68 2wks h ILE 33 N 0.13 0.61 -0.15 3.13 2.04 -0.92 -0.23 117.51 122.12 2wks h ILE 33 Ca 0.05 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 2wks h ILE 33 Cb 0.07 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 2wks h ILE 33 CO -0.01 0.10 -0.10 0.24 0.00 0.00 0.00 178.15 178.38 2wks h MET 34 N 0.52 0.34 0.16 2.37 2.86 -0.81 -1.43 114.93 118.94 2wks h MET 34 Ca 0.57 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 58.06 2wks h MET 34 Cb 1.23 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.86 2wks h MET 34 CO -0.31 0.68 -0.23 1.96 1.06 0.00 0.00 176.91 180.07 2wks h GLN 35 N -0.00 -0.44 -0.62 1.72 1.08 -0.63 -1.14 115.11 115.08 2wks h GLN 35 Ca 0.03 0.03 0.12 0.00 -1.45 0.00 0.00 58.65 57.38 2wks h GLN 35 Cb 0.59 0.10 -0.12 0.00 -0.05 0.00 0.00 27.48 28.00 2wks h GLN 35 CO 0.03 -0.29 -0.28 1.15 -0.95 0.00 0.00 178.83 178.49 2wks h THR 36 N -0.45 0.21 -0.83 -0.54 2.02 -1.11 0.13 112.91 112.34 2wks h THR 36 Ca 0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.25 2wks h THR 36 Cb 0.46 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 2wks h THR 36 CO -0.10 0.00 0.54 0.15 0.37 0.00 0.00 175.52 176.48 2wks h PHE 37 N -0.11 0.94 -0.39 3.16 3.57 -0.77 -0.32 116.94 123.02 2wks h PHE 37 Ca 0.27 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 2wks h PHE 37 Cb 0.54 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2wks h PHE 37 CO -0.61 0.51 -0.12 0.28 -2.23 0.00 0.00 178.31 176.13 2wks h VAL 38 N 0.94 1.28 0.48 1.41 2.07 0.41 -3.08 116.25 119.75 2wks h VAL 38 Ca 0.35 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 2wks h VAL 38 Cb 0.18 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2wks h VAL 38 CO -0.12 0.41 -0.23 0.11 0.02 0.00 0.00 177.57 177.76 2wks h LYS 39 N 0.58 -0.62 0.00 1.57 1.57 -0.62 -1.64 116.57 117.42 2wks h LYS 39 Ca 0.10 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2wks h LYS 39 Cb 0.66 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2wks h LYS 39 CO 0.04 -0.32 0.00 1.04 -0.57 0.00 0.00 179.45 179.65 2wks n GLN 40 N -5.23 0.00 0.00 3.15 1.13 -0.16 0.98 117.38 117.25 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 0.30 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 29.38 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 -0.67 0.63 2.41 1.08 0.00 -1.17 -5.00 105.19 102.47 2wks n GLY 41 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.15 -5.04 -4.76 1.61 3.02 0.28 -4.93 115.26 105.28 2wks n ASN 42 Ca 0.00 0.28 -0.37 0.00 -0.03 0.00 0.00 54.58 54.46 2wks n ASN 42 Cb 0.09 -4.38 0.01 0.00 -0.61 0.00 0.00 39.78 34.89 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 -5.07 3.92 -1.22 3.41 1.43 -0.66 -4.91 118.68 115.59 2wks s LEU 43 Ca 0.00 2.47 -0.06 0.00 -1.03 0.00 0.00 54.13 55.52 2wks s LEU 43 Cb 0.00 -4.29 0.20 0.00 0.03 0.00 0.00 46.19 42.13 2wks s LEU 43 CO 0.00 -1.21 1.97 -0.67 0.23 0.00 0.00 176.35 176.67 2wks n ASP 44 N -0.78 6.67 -3.80 2.29 2.03 -1.26 -4.79 116.55 116.91 2wks n ASP 44 Ca 0.09 -3.26 -0.20 0.00 0.52 0.00 0.00 54.79 51.94 2wks n ASP 44 Cb 0.47 -1.36 -0.17 0.00 -0.72 0.00 0.00 41.12 39.35 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 -1.41 0.26 -0.22 5.18 1.01 -1.26 -3.78 120.40 120.18 2wks s VAL 45 Ca 0.43 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.43 2wks s VAL 45 Cb 0.13 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 2wks s VAL 45 CO -0.03 0.20 0.10 -1.61 0.00 0.00 0.00 175.10 173.76 2wks s GLU 46 N 1.46 3.97 -0.07 2.72 2.02 -0.55 -5.00 118.70 123.25 2wks s GLU 46 Ca -0.03 -0.33 -0.14 0.00 0.02 0.00 0.00 54.97 54.49 2wks s GLU 46 Cb -0.13 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.68 2wks s GLU 46 CO -0.03 0.12 0.34 -0.51 0.02 0.00 0.00 175.26 175.20 2wks s LEU 47 N 0.84 4.39 -0.17 1.80 1.43 -1.26 -1.57 118.68 124.14 2wks s LEU 47 Ca 0.05 0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 53.90 2wks s LEU 47 Cb -0.13 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 2wks s LEU 47 CO 0.02 0.26 -0.08 -0.70 0.23 0.00 0.00 176.35 176.09 2wks s GLU 48 N -0.57 3.42 -0.10 1.70 2.12 -0.52 -4.96 118.70 119.78 2wks s GLU 48 Ca 0.21 -0.63 -0.06 0.00 0.36 0.00 0.00 54.97 54.85 2wks s GLU 48 Cb -0.15 -2.83 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 2wks s GLU 48 CO 0.09 0.04 0.11 -0.06 -0.54 0.00 0.00 175.26 174.91 2wks s PHE 49 N 0.84 3.51 -0.10 5.30 0.08 -1.26 -1.00 117.98 125.34 2wks s PHE 49 Ca -0.02 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 0.05 0.00 -0.57 0.00 0.00 43.02 40.45 2wks s PHE 49 CO 0.01 0.68 0.23 0.12 -0.10 0.00 0.00 175.22 176.16 2wks s PHE 50 N -1.02 -0.31 -0.03 0.36 5.36 -0.05 -4.96 117.98 117.32 2wks s PHE 50 Ca 0.16 0.76 0.06 0.00 -0.96 0.00 0.00 56.93 56.94 2wks s PHE 50 Cb -0.12 0.00 -0.01 0.00 -0.34 0.00 0.00 43.02 42.55 2wks s PHE 50 CO 0.05 -0.24 -0.22 -1.14 -1.46 0.00 0.00 175.22 172.21 2wks s GLN 51 N 1.45 1.99 0.09 10.12 -0.44 -1.26 0.18 119.66 131.78 2wks s GLN 51 Ca -0.07 -0.77 -0.16 0.00 -2.50 0.00 0.00 55.36 51.86 2wks s GLN 51 Cb -0.11 -1.80 0.03 0.00 -1.64 0.00 0.00 33.01 29.49 2wks s GLN 51 CO -0.08 0.39 0.37 -0.08 0.50 0.00 0.00 175.29 176.39 2wks s THR 52 N -0.27 0.07 -2.37 -0.34 -1.32 -0.49 -4.96 115.64 105.97 2wks s THR 52 Ca 0.02 -0.61 0.20 0.00 -1.21 0.00 0.00 61.69 60.09 2wks s THR 52 Cb -0.11 -1.09 0.24 0.00 -1.51 0.00 0.00 72.50 70.03 2wks s THR 52 CO 0.01 -0.34 1.20 0.59 -2.21 0.00 0.00 174.62 173.88 2wks n ASN 53 N 0.11 2.88 -4.55 8.08 3.02 -1.26 -2.13 115.26 121.42 2wks n ASN 53 Ca -0.17 -1.87 -0.36 0.00 -0.03 0.00 0.00 54.58 52.14 2wks n ASN 53 Cb 0.62 -0.08 -0.11 0.00 -0.61 0.00 0.00 39.78 39.59 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 -1.55 3.18 0.23 3.10 0.40 -1.26 -4.74 117.98 117.33 2wks s PHE 54 Ca 0.27 -0.11 -0.08 0.00 -0.60 0.00 0.00 56.93 56.41 2wks s PHE 54 Cb 0.18 -2.23 0.37 0.00 0.51 0.00 0.00 43.02 41.85 2wks s PHE 54 CO 0.26 -0.14 1.68 1.49 0.70 0.00 0.00 175.22 179.21 2wks h GLU 55 N 7.79 0.20 -0.22 0.44 4.81 -2.00 -2.26 114.58 123.34 2wks h GLU 55 Ca -0.37 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.80 2wks h GLU 55 Cb 1.18 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2wks h GLU 55 CO 0.61 0.13 -0.06 0.78 -0.73 0.00 0.00 179.01 179.74 2wks h GLY 56 N 0.20 0.35 1.09 1.92 0.00 -1.99 -2.04 103.07 102.61 2wks h GLY 56 Ca 0.36 -0.20 -0.16 0.00 0.00 0.00 0.00 47.33 47.34 2wks h GLY 56 CO -0.51 0.19 -0.39 0.83 0.00 0.00 0.00 176.54 176.66 2wks h GLU 57 N 0.32 0.87 -0.26 4.80 5.08 -1.84 0.41 114.58 123.96 2wks h GLU 57 Ca 0.07 -0.48 0.05 0.00 -1.00 0.00 0.00 59.36 58.00 2wks h GLU 57 Cb 0.31 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 2wks h GLU 57 CO 0.01 1.12 -0.06 0.82 -1.00 0.00 0.00 179.01 179.91 2wks h ILE 58 N 0.67 0.74 -0.22 3.13 2.04 -0.97 -0.01 117.51 122.88 2wks h ILE 58 Ca 0.05 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 2wks h ILE 58 Cb 0.99 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2wks h ILE 58 CO 0.09 0.00 0.12 0.40 0.00 0.00 0.00 178.15 178.77 2wks h ILE 59 N 0.01 1.11 -0.60 -0.67 2.04 -1.31 -0.71 117.51 117.38 2wks h ILE 59 Ca 0.13 -0.29 0.11 0.00 1.00 0.00 0.00 64.86 65.81 2wks h ILE 59 Cb 0.19 0.90 -0.09 0.00 -0.74 0.00 0.00 36.82 37.08 2wks h ILE 59 CO -0.27 0.11 0.11 0.44 0.00 0.00 0.00 178.15 178.54 2wks h ASP 60 N 0.25 -0.03 -0.22 1.72 5.19 -0.59 -0.27 116.42 122.48 2wks h ASP 60 Ca 0.08 0.12 -0.10 0.00 -0.62 0.00 0.00 57.03 56.51 2wks h ASP 60 Cb 0.06 0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 2wks h ASP 60 CO -0.01 -0.00 -0.24 0.50 -3.12 0.00 0.00 179.24 176.36 2wks h LYS 61 N 0.24 0.56 -0.59 3.56 1.63 -0.60 0.46 116.57 121.82 2wks h LYS 61 Ca 0.31 -0.30 0.09 0.00 -0.85 0.00 0.00 60.65 59.91 2wks h LYS 61 Cb 0.47 0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.05 2wks h LYS 61 CO -0.41 0.89 0.20 0.82 -3.45 0.00 0.00 179.45 177.50 2wks h ILE 62 N 0.25 0.75 -0.61 2.00 2.04 -0.73 -1.94 117.51 119.27 2wks h ILE 62 Ca 0.03 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2wks h ILE 62 Cb 0.80 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2wks h ILE 62 CO 0.06 0.07 0.33 1.56 0.00 0.00 0.00 178.15 180.17 2wks h GLN 63 N 0.37 0.86 0.00 2.37 4.20 -0.64 -2.62 115.11 119.65 2wks h GLN 63 Ca 0.30 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2wks h GLN 63 Cb 0.38 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2wks h GLN 63 CO -0.32 0.66 0.00 0.93 -0.67 0.00 0.00 178.83 179.44 2wks h GLU 64 N 0.83 0.00 0.00 1.46 5.08 -0.24 -1.09 114.58 120.62 2wks h GLU 64 Ca 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2wks h GLU 64 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2wks h GLU 64 CO -0.03 0.00 -0.00 0.66 -1.00 0.00 0.00 179.01 178.63 2wks h SER 65 N 0.00 0.00 0.71 1.42 4.64 -0.97 -3.36 113.55 115.99 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 0.36 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2wks h SER 65 CO 0.00 0.00 -0.34 0.58 -0.87 0.00 0.00 176.83 176.20 2wks h VAL 66 N 0.00 0.00 0.00 0.95 2.07 -1.26 -2.90 116.25 115.11 2wks h VAL 66 Ca -0.00 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2wks h VAL 66 Cb 0.66 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2wks h VAL 66 CO 0.00 0.00 -0.06 1.23 0.02 0.00 0.00 177.57 178.76 2wks h GLY 67 N -1.12 0.00 -0.82 2.17 0.00 -1.75 -3.46 103.07 98.09 2wks h GLY 67 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.87 2wks h GLY 67 CO 0.16 0.00 0.27 -1.14 0.00 0.00 0.00 176.54 175.83 2wks n SER 68 N -3.64 0.39 -1.83 0.19 3.41 -1.10 -4.95 113.62 106.10 2wks n SER 68 Ca -0.02 -1.55 -0.15 0.00 -0.26 0.00 0.00 58.87 56.89 2wks n SER 68 Cb 0.16 -0.74 0.04 0.00 -0.26 0.00 0.00 64.21 63.42 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 -3.47 5.98 -4.66 4.04 5.75 -1.26 -4.87 116.55 118.07 2wks n ASP 69 Ca 0.14 -2.98 -0.39 0.00 -0.01 0.00 0.00 54.79 51.54 2wks n ASP 69 Cb 0.47 -1.01 -0.07 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 -1.67 3.37 -0.02 2.11 4.12 -1.26 -4.10 117.35 119.90 2wks s TYR 70 Ca 0.28 0.71 0.03 0.00 0.02 0.00 0.00 57.07 58.11 2wks s TYR 70 Cb 0.23 -2.63 -0.25 0.00 -1.52 0.00 0.00 41.96 37.79 2wks s TYR 70 CO 0.00 -0.08 0.78 0.93 0.02 0.00 0.00 175.55 177.19 2wks h GLU 71 N 7.47 0.14 -2.99 -0.62 4.39 -1.35 -3.48 114.58 118.15 2wks h GLU 71 Ca -0.34 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.13 2wks h GLU 71 Cb 1.16 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 29.81 2wks h GLU 71 CO 0.73 0.92 0.22 0.20 -1.16 0.00 0.00 179.01 179.92 2wks s GLY 72 N -5.06 -0.39 -0.07 -3.84 0.00 -1.23 -4.20 107.32 92.52 2wks s GLY 72 Ca -0.08 0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.82 2wks s GLY 72 CO 0.83 0.06 -0.17 -0.42 0.00 0.00 0.00 173.10 173.40 2wks s ILE 73 N -3.81 1.46 -0.19 0.90 1.01 -0.05 -1.68 121.20 118.83 2wks s ILE 73 Ca 0.05 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 2wks s ILE 73 Cb -0.03 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 2wks s ILE 73 CO -0.04 0.42 0.03 -0.63 0.00 0.00 0.00 174.94 174.72 2wks s ILE 74 N 0.43 4.30 -0.01 2.92 1.01 -0.15 -0.59 121.20 129.10 2wks s ILE 74 Ca -0.13 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.32 2wks s ILE 74 Cb -0.15 -2.94 0.01 0.00 0.01 0.00 0.00 42.46 39.39 2wks s ILE 74 CO 0.05 0.44 -0.01 -0.51 0.00 0.00 0.00 174.94 174.91 2wks s ILE 75 N 0.72 0.15 -0.36 2.92 2.07 0.33 -0.66 121.20 126.37 2wks s ILE 75 Ca 0.01 -0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 2wks s ILE 75 Cb -0.14 -0.18 0.10 0.00 0.13 0.00 0.00 42.46 42.38 2wks s ILE 75 CO 0.02 0.08 0.09 0.21 -1.91 0.00 0.00 174.94 173.43 2wks s ASN 76 N 0.36 4.63 0.00 4.50 3.84 -0.27 -0.50 114.94 127.51 2wks s ASN 76 Ca -0.03 -2.25 0.20 0.00 0.21 0.00 0.00 52.86 50.99 2wks s ASN 76 Cb -0.06 -1.57 1.08 0.00 -0.55 0.00 0.00 41.25 40.15 2wks s ASN 76 CO -0.01 -0.36 1.63 -2.65 -2.79 0.00 0.00 177.10 172.92 2wks n PRO 77 N 4.12 0.38 0.00 0.43 -0.02 -1.26 -0.13 135.00 138.53 2wks n PRO 77 Ca 0.04 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2wks n PRO 77 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 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 0.39 1.32 0.22 -1.23 0.00 -1.26 -2.17 105.19 102.46 2wks n GLY 78 Ca 0.11 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.89 1.19 0.00 4.61 0.00 -1.94 0.15 119.26 122.38 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 -0.19 0.00 0.74 0.00 0.00 0.00 179.25 179.80 2wks h PHE 80 N 0.00 0.00 -0.88 0.00 0.04 -1.83 -3.15 116.94 111.13 2wks h PHE 80 Ca 0.00 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.89 2wks h PHE 80 Cb 0.48 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.57 2wks h PHE 80 CO 0.00 0.00 0.57 0.77 -0.60 0.00 0.00 178.31 179.05 2wks h SER 81 N 0.00 0.71 1.36 2.17 0.02 -0.80 0.98 113.55 117.99 2wks h SER 81 Ca 0.00 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2wks h SER 81 Cb 0.53 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 2wks h SER 81 CO 0.00 0.39 -0.65 0.45 -1.14 0.00 0.00 176.83 175.89 2wks h HIS 82 N 0.77 0.00 0.00 3.45 3.86 -1.69 0.37 115.15 121.92 2wks h HIS 82 Ca 0.42 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.61 2wks h HIS 82 Cb 0.55 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 2wks h HIS 82 CO -0.00 0.09 -1.13 0.25 0.86 0.00 0.00 177.93 178.00 2wks n THR 83 N -2.89 0.10 -2.99 2.45 -2.24 -0.96 -4.59 114.28 103.15 2wks n THR 83 Ca 0.01 -0.08 -0.44 0.00 -2.27 0.00 0.00 64.05 61.27 2wks n THR 83 Cb 0.58 -0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 68.24 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 -2.97 6.78 0.30 3.42 0.15 0.30 -4.80 113.70 116.88 2wks s SER 84 Ca -0.01 -2.42 0.01 0.00 0.70 0.00 0.00 55.95 54.24 2wks s SER 84 Cb 0.01 -2.37 0.55 0.00 -1.71 0.00 0.00 66.02 62.49 2wks s SER 84 CO 0.09 -0.90 1.88 0.40 1.20 0.00 0.00 173.24 175.91 2wks h ILE 85 N 5.34 1.01 -0.34 6.45 2.04 -1.93 -2.10 117.51 127.98 2wks h ILE 85 Ca 0.19 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.75 2wks h ILE 85 Cb 0.98 -0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 2wks h ILE 85 CO 1.10 0.18 0.09 0.00 0.00 0.00 0.00 178.15 179.52 2wks h ALA 86 N 1.52 0.37 -0.50 1.87 0.00 -1.98 0.12 119.26 120.67 2wks h ALA 86 Ca 0.43 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.29 2wks h ALA 86 Cb 0.32 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2wks h ALA 86 CO -0.18 -0.32 -0.11 0.82 0.00 0.00 0.00 179.25 179.46 2wks h ILE 87 N 0.21 1.26 -0.44 0.00 2.04 -1.87 -1.11 117.51 117.61 2wks h ILE 87 Ca 0.16 -1.23 0.07 0.00 1.00 0.00 0.00 64.86 64.85 2wks h ILE 87 Cb 0.16 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 2wks h ILE 87 CO -0.19 0.43 0.12 0.00 0.00 0.00 0.00 178.15 178.51 2wks h ALA 88 N 1.04 0.51 -0.02 1.87 0.00 -0.70 0.96 119.26 122.93 2wks h ALA 88 Ca 0.13 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wks h ALA 88 Cb 0.65 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2wks h ALA 88 CO 0.04 -0.28 0.01 -0.44 0.00 0.00 0.00 179.25 178.58 2wks h ASP 89 N 0.26 0.02 -0.75 0.00 3.32 -0.42 -1.65 116.42 117.20 2wks h ASP 89 Ca 0.21 -0.04 0.17 0.00 0.02 0.00 0.00 57.03 57.39 2wks h ASP 89 Cb 0.25 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 39.68 2wks h ASP 89 CO -0.26 0.05 0.16 0.00 -1.72 0.00 0.00 179.24 177.48 2wks h ALA 90 N 0.97 0.95 -0.77 3.45 0.00 -0.71 -0.98 119.26 122.18 2wks h ALA 90 Ca 0.01 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2wks h ALA 90 Cb 0.04 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2wks h ALA 90 CO -0.00 -0.36 0.45 0.82 0.00 0.00 0.00 179.25 180.16 2wks h ILE 91 N 0.24 1.22 0.00 0.00 2.04 -0.29 -2.35 117.51 118.37 2wks h ILE 91 Ca 0.42 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 2wks h ILE 91 Cb 0.74 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2wks h ILE 91 CO -0.54 0.24 -0.21 0.24 0.00 0.00 0.00 178.15 177.87 2wks h MET 92 N 1.05 0.00 -0.32 2.37 2.86 -0.28 -2.39 114.93 118.22 2wks h MET 92 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2wks h MET 92 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2wks h MET 92 CO -0.05 0.21 0.00 1.47 1.06 0.00 0.00 176.91 179.61 2wks n LEU 93 N -3.89 2.70 0.26 1.22 -0.00 -0.69 -4.30 117.00 112.30 2wks n LEU 93 Ca -0.02 -1.18 0.16 0.00 -0.00 0.00 0.00 56.01 54.97 2wks n LEU 93 Cb 0.30 -0.21 0.60 0.00 -0.00 0.00 0.00 43.42 44.12 2wks n LEU 93 CO 0.34 0.59 0.96 0.00 -0.00 0.00 0.00 177.39 179.28 2wks h ALA 94 N 4.27 1.00 -6.86 1.47 0.00 -0.98 -3.47 119.26 114.69 2wks h ALA 94 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2wks h ALA 94 Cb 0.76 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.40 2wks h ALA 94 CO 0.00 0.00 -0.94 0.41 0.00 0.00 0.00 179.25 178.72 2wks n GLY 95 N 0.19 -0.16 3.54 0.00 0.00 -1.26 -4.79 105.19 102.71 2wks n GLY 95 Ca 0.01 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -7.07 0.69 0.24 1.61 -2.85 -1.26 -5.12 119.74 105.98 2wks s LYS 96 Ca 0.01 -0.12 -0.31 0.00 -1.00 0.00 0.00 55.97 54.55 2wks s LYS 96 Cb -0.01 0.32 -0.12 0.00 -2.06 0.00 0.00 37.83 35.97 2wks s LYS 96 CO 0.96 -0.27 1.69 -2.30 0.10 0.00 0.00 175.35 175.52 2wks n PRO 97 N 0.12 2.77 -5.06 1.78 -0.02 -1.26 -4.82 135.00 128.52 2wks n PRO 97 Ca -0.08 1.00 -0.30 0.00 -2.02 0.00 0.00 63.50 62.09 2wks n PRO 97 Cb 0.60 -2.82 -0.17 0.00 -0.02 0.00 0.00 33.50 31.09 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 0.75 1.82 -0.15 -1.45 1.01 -1.26 -0.87 120.40 120.25 2wks s VAL 98 Ca 0.71 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.83 2wks s VAL 98 Cb -0.50 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.31 2wks s VAL 98 CO 0.38 0.51 -0.21 -0.63 0.00 0.00 0.00 175.10 175.15 2wks s ILE 99 N 0.40 2.10 -0.09 2.22 1.01 0.24 -1.98 121.20 125.10 2wks s ILE 99 Ca -0.17 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.33 2wks s ILE 99 Cb -0.17 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 2wks s ILE 99 CO 0.08 0.55 0.52 -0.70 0.00 0.00 0.00 174.94 175.38 2wks s GLU 100 N 0.93 4.33 -0.00 2.79 2.12 -0.79 -0.52 118.70 127.56 2wks s GLU 100 Ca -0.04 0.53 0.07 0.00 0.36 0.00 0.00 54.97 55.90 2wks s GLU 100 Cb -0.15 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 2wks s GLU 100 CO -0.04 0.19 -0.23 0.08 -0.54 0.00 0.00 175.26 174.72 2wks s VAL 101 N 0.48 2.36 -0.04 3.70 1.01 0.34 -0.38 120.40 127.86 2wks s VAL 101 Ca 0.28 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2wks s VAL 101 Cb -0.16 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.35 2wks s VAL 101 CO 0.12 0.51 -0.10 -1.00 0.00 0.00 0.00 175.10 174.62 2wks s HIS 102 N -0.71 1.18 0.11 5.22 3.76 0.94 -4.18 115.29 121.60 2wks s HIS 102 Ca 0.11 -0.36 -0.26 0.00 -0.15 0.00 0.00 55.06 54.41 2wks s HIS 102 Cb -0.10 -0.86 -0.10 0.00 1.11 0.00 0.00 32.58 32.63 2wks s HIS 102 CO 0.01 -0.17 1.66 -0.07 -0.85 0.00 0.00 174.74 175.32 2wks h LEU 103 N 6.65 -0.54-10.25 0.89 3.38 -1.86 -1.21 115.31 112.37 2wks h LEU 103 Ca -0.33 0.06 -0.47 0.00 0.09 0.00 0.00 57.88 57.23 2wks h LEU 103 Cb 1.17 0.20 0.01 0.00 0.09 0.00 0.00 40.66 42.14 2wks h LEU 103 CO 0.48 -0.28 -0.20 0.42 0.09 0.00 0.00 178.44 178.95 2wks s THR 104 N -6.11 4.96 -0.95 0.22 -4.23 -1.26 -1.79 115.64 106.48 2wks s THR 104 Ca -0.15 -0.53 -0.23 0.00 -1.18 0.00 0.00 61.69 59.60 2wks s THR 104 Cb 0.07 -3.80 0.05 0.00 1.34 0.00 0.00 72.50 70.16 2wks s THR 104 CO 0.65 -0.50 1.38 0.21 -0.54 0.00 0.00 174.62 175.82 2wks s ASN 105 N -4.06 6.44 0.20 3.99 3.84 -1.26 -2.75 114.94 121.35 2wks s ASN 105 Ca 0.41 -1.31 0.18 0.00 0.21 0.00 0.00 52.86 52.34 2wks s ASN 105 Cb -0.10 -2.55 0.84 0.00 -0.55 0.00 0.00 41.25 38.89 2wks s ASN 105 CO 0.36 -1.53 1.54 2.30 -2.79 0.00 0.00 177.10 176.98 2wks n ILE 106 N 6.66 1.11 0.22 -5.21 -5.35 -1.26 0.20 119.36 115.73 2wks n ILE 106 Ca 0.26 0.45 0.06 0.00 -0.27 0.00 0.00 62.75 63.25 2wks n ILE 106 Cb 0.50 -1.39 0.50 0.00 -1.74 0.00 0.00 39.64 37.52 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 -0.50 6.28 1.08 -1.87 -3.26 115.11 116.85 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 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2wks h GLN 107 CO 0.00 0.23 0.00 0.00 -0.95 0.00 0.00 178.83 178.11 2wks n ALA 108 N -2.44 3.59 -3.40 3.87 0.00 0.13 -4.93 120.51 117.32 2wks n ALA 108 Ca -0.02 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.42 2wks n ALA 108 Cb 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.37 2.93 -1.14 0.00 1.74 -1.23 -5.05 116.66 114.29 2wks n ARG 109 Ca 0.26 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.98 2wks n ARG 109 Cb 1.09 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.61 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 -0.04 0.13 -0.27 5.56 4.71 -1.26 -4.84 120.64 124.63 2wks n GLU 110 Ca 0.00 0.08 0.01 0.00 -0.01 0.00 0.00 57.16 57.24 2wks n GLU 110 Cb 0.00 -1.68 0.14 0.00 -1.01 0.00 0.00 31.44 28.88 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 -0.64 0.74 0.00 3.49 4.57 -1.96 -1.99 114.58 118.79 2wks h GLU 111 Ca -0.45 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 2wks h GLU 111 Cb 1.34 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2wks h GLU 111 CO 0.39 0.49 0.00 1.97 -1.18 0.00 0.00 179.01 180.68 2wks n PHE 112 N -4.75 0.00 0.84 0.92 1.16 -1.26 -2.01 117.46 112.36 2wks n PHE 112 Ca 0.11 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.78 2wks n PHE 112 Cb 0.22 -0.43 -0.07 0.00 -1.61 0.00 0.00 39.48 37.60 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 -1.43 1.26 -0.05 3.97 1.74 -0.75 -4.61 116.66 116.79 2wks n ARG 113 Ca 0.03 -0.30 -0.14 0.00 -0.77 0.00 0.00 57.85 56.66 2wks n ARG 113 Cb 0.09 -1.35 -0.08 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 0.70 0.41 -6.72 5.56 1.57 -1.42 -3.44 116.57 113.24 2wks h LYS 114 Ca 0.00 -0.27 -0.52 0.00 -1.87 0.00 0.00 60.65 57.99 2wks h LYS 114 Cb 0.49 0.03 0.07 0.00 0.08 0.00 0.00 32.23 32.90 2wks h LYS 114 CO 0.00 0.87 0.95 1.21 -0.57 0.00 0.00 179.45 181.91 2wks s ASN 115 N -6.33 6.39 -0.33 0.86 2.47 -1.26 -4.81 114.94 111.93 2wks s ASN 115 Ca -0.14 2.89 0.01 0.00 0.42 0.00 0.00 52.86 56.04 2wks s ASN 115 Cb 0.05 -2.61 0.10 0.00 -1.45 0.00 0.00 41.25 37.34 2wks s ASN 115 CO 0.78 -0.94 0.10 -0.55 -3.72 0.00 0.00 177.10 172.77 2wks s SER 116 N 0.88 4.22 0.14 -4.21 0.15 -1.26 -4.08 113.70 109.54 2wks s SER 116 Ca 0.70 -1.87 -0.21 0.00 0.70 0.00 0.00 55.95 55.27 2wks s SER 116 Cb -0.49 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 2wks s SER 116 CO 0.39 -0.39 1.67 1.88 1.20 0.00 0.00 173.24 177.99 2wks h TYR 117 N 7.85 -0.29 -0.70 3.44 0.05 -1.17 -1.86 116.97 124.29 2wks h TYR 117 Ca -0.10 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 2wks h TYR 117 Cb 1.01 0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.88 2wks h TYR 117 CO 0.40 -0.18 0.37 1.79 -1.05 0.00 0.00 178.16 179.49 2wks h THR 118 N -0.10 1.22 -0.66 -2.88 1.35 -1.79 -2.77 112.91 107.28 2wks h THR 118 Ca 0.12 -0.57 -0.03 0.00 -0.55 0.00 0.00 66.41 65.38 2wks h THR 118 Cb 0.28 0.31 -0.03 0.00 -1.73 0.00 0.00 68.15 66.98 2wks h THR 118 CO -0.27 0.25 0.29 1.23 -0.25 0.00 0.00 175.52 176.77 2wks h GLY 119 N 0.97 1.01 1.66 5.82 0.00 -1.76 -1.67 103.07 109.10 2wks h GLY 119 Ca 0.25 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 2wks h GLY 119 CO -0.04 0.48 0.08 0.00 0.00 0.00 0.00 176.54 177.06 2wks h ALA 120 N 1.38 1.57 0.00 3.60 0.00 -1.07 -2.38 119.26 122.37 2wks h ALA 120 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wks h ALA 120 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wks h ALA 120 CO -0.03 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.55 2wks h ALA 121 N 1.66 1.00 -2.36 0.00 0.00 -1.14 -3.46 119.26 114.96 2wks h ALA 121 Ca 0.11 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.51 2wks h ALA 121 Cb 0.16 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.01 2wks h ALA 121 CO -0.00 0.00 0.35 0.00 0.00 0.00 0.00 179.25 179.59 2wks h GLY 123 N -0.25 1.23 -2.60 0.00 0.00 -1.68 -3.47 103.07 96.30 2wks h GLY 123 Ca -0.45 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.17 2wks h GLY 123 CO 0.62 0.66 0.08 -0.32 0.00 0.00 0.00 176.54 177.58 2wks s GLY 124 N -3.37 -0.17 -0.00 4.60 0.00 -1.25 -5.10 107.32 102.03 2wks s GLY 124 Ca -0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 44.72 44.47 2wks s GLY 124 CO 0.84 -0.18 0.00 0.14 0.00 0.00 0.00 173.10 173.90 2wks s VAL 125 N -3.86 -0.01 -0.10 1.40 1.01 -1.26 -1.89 120.40 115.69 2wks s VAL 125 Ca 0.08 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2wks s VAL 125 Cb -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 36.38 36.36 2wks s VAL 125 CO -0.03 0.01 -0.14 -0.63 0.00 0.00 0.00 175.10 174.31 2wks s ILE 126 N 0.10 1.38 0.01 2.22 1.01 0.48 -4.98 121.20 121.42 2wks s ILE 126 Ca -0.01 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.07 2wks s ILE 126 Cb -0.01 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 2wks s ILE 126 CO -0.00 0.42 -0.02 0.00 0.00 0.00 0.00 174.94 175.33 2wks s MET 127 N 0.97 0.21 0.00 2.79 0.23 -1.26 -0.04 119.30 122.20 2wks s MET 127 Ca -0.07 -0.26 0.00 0.00 -1.03 0.00 0.00 55.69 54.33 2wks s MET 127 Cb -0.15 -0.08 0.00 0.00 -1.53 0.00 0.00 34.83 33.07 2wks s MET 127 CO -0.01 0.01 0.00 0.41 -2.03 0.00 0.00 175.02 173.41 2wks n GLY 128 N 2.54 0.79 0.71 3.16 0.00 -0.45 -4.72 105.19 107.21 2wks n GLY 128 Ca -0.16 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.36 0.70 -4.69 1.61 3.01 -0.96 -4.68 117.46 110.09 2wks n PHE 129 Ca 0.00 -0.80 0.00 0.00 1.01 0.00 0.00 57.45 57.66 2wks n PHE 129 Cb 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 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 -0.40 0.95 0.41 1.37 0.00 -0.74 -2.96 105.19 103.82 2wks n GLY 130 Ca 0.18 -0.76 0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.64 1.61 0.11 -1.92 -1.64 132.00 129.52 2wks h PRO 131 Ca 0.00 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.24 2wks h PRO 131 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 2wks h PRO 131 CO 0.00 0.00 0.43 1.25 -0.21 0.00 0.00 178.00 179.47 2wks h LEU 132 N 0.00 0.28 -1.09 2.35 5.85 -1.96 -1.63 115.31 119.11 2wks h LEU 132 Ca 0.29 0.01 0.21 0.00 0.84 0.00 0.00 57.88 59.23 2wks h LEU 132 Cb 1.23 -0.05 -0.11 0.00 0.37 0.00 0.00 40.66 42.11 2wks h LEU 132 CO -0.00 0.16 0.61 1.23 -0.34 0.00 0.00 178.44 180.10 2wks h GLY 133 N 0.31 1.67 1.16 3.75 0.00 -1.35 -0.61 103.07 108.00 2wks h GLY 133 Ca 0.30 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 2wks h GLY 133 CO -0.07 -0.11 0.24 -0.97 0.00 0.00 0.00 176.54 175.63 2wks h TYR 134 N 0.65 1.08 -0.26 5.60 -1.99 -1.50 -0.73 116.97 119.83 2wks h TYR 134 Ca 0.59 -0.09 -0.12 0.00 2.00 0.00 0.00 58.73 61.11 2wks h TYR 134 Cb 1.07 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 39.46 2wks h TYR 134 CO -0.00 0.85 -0.33 -0.91 -0.00 0.00 0.00 178.16 177.76 2wks h ASN 135 N 1.03 0.58 -0.38 3.88 2.35 -1.25 -0.44 115.58 121.34 2wks h ASN 135 Ca 0.23 -0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 2wks h ASN 135 Cb 0.25 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2wks h ASN 135 CO -0.01 0.87 0.12 0.24 -1.65 0.00 0.00 177.43 177.00 2wks h MET 136 N 0.48 0.67 -0.32 0.81 2.86 -0.95 0.25 114.93 118.73 2wks h MET 136 Ca 0.05 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 2wks h MET 136 Cb 0.81 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 2wks h MET 136 CO 0.07 0.60 -0.01 0.00 1.06 0.00 0.00 176.91 178.62 2wks h ALA 137 N 1.48 0.43 -0.16 6.32 0.00 -0.35 -1.22 119.26 125.76 2wks h ALA 137 Ca 0.15 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2wks h ALA 137 Cb 0.23 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2wks h ALA 137 CO -0.00 0.20 -0.15 -0.07 0.00 0.00 0.00 179.25 179.23 2wks h LEU 138 N 0.37 -0.46 -0.36 0.00 3.38 -0.46 0.44 115.31 118.22 2wks h LEU 138 Ca 0.09 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.22 2wks h LEU 138 Cb 0.47 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 2wks h LEU 138 CO 0.02 -0.19 -0.06 -0.03 0.09 0.00 0.00 178.44 178.27 2wks h MET 139 N -0.17 0.03 -0.47 1.13 4.05 -0.34 -1.29 114.93 117.86 2wks h MET 139 Ca 0.10 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.44 2wks h MET 139 Cb 0.32 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 2wks h MET 139 CO -0.26 0.02 -0.02 0.00 0.23 0.00 0.00 176.91 176.88 2wks h ALA 140 N 1.35 0.64 -0.30 0.39 0.00 -0.63 -1.89 119.26 118.82 2wks h ALA 140 Ca 0.17 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2wks h ALA 140 Cb 0.26 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2wks h ALA 140 CO -0.35 0.45 0.06 1.98 0.00 0.00 0.00 179.25 181.40 2wks h MET 141 N 0.70 0.17 -0.81 0.00 -1.53 0.33 0.16 114.93 113.94 2wks h MET 141 Ca 0.13 -0.01 0.02 0.00 -3.44 0.00 0.00 59.70 56.40 2wks h MET 141 Cb 0.53 -0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.50 2wks h MET 141 CO 0.03 0.11 0.53 0.28 0.14 0.00 0.00 176.91 178.00 2wks h VAL 142 N 0.17 1.17 -0.43 -5.77 2.07 -1.08 0.18 116.25 112.57 2wks h VAL 142 Ca 0.14 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 2wks h VAL 142 Cb 0.15 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 2wks h VAL 142 CO -0.18 0.19 -0.17 0.78 0.02 0.00 0.00 177.57 178.21 2wks h ASN 143 N 1.06 0.83 -0.37 0.57 2.35 -0.71 -0.35 115.58 118.96 2wks h ASN 143 Ca 0.31 -0.28 -0.14 0.00 -0.55 0.00 0.00 56.30 55.64 2wks h ASN 143 Cb -0.07 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 2wks h ASN 143 CO -0.09 0.99 -0.31 0.40 -1.65 0.00 0.00 177.43 176.78 2wks h ILE 144 N 0.73 1.27 -0.07 2.81 2.04 -0.13 -1.44 117.51 122.73 2wks h ILE 144 Ca 0.11 -1.47 -0.05 0.00 1.00 0.00 0.00 64.86 64.45 2wks h ILE 144 Cb 0.69 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 2wks h ILE 144 CO 0.05 0.50 -0.15 -0.07 0.00 0.00 0.00 178.15 178.48 2wks h LEU 145 N 0.75 0.24 -0.79 1.44 3.38 -0.90 -1.51 115.31 117.93 2wks h LEU 145 Ca 0.08 -0.58 0.19 0.00 0.09 0.00 0.00 57.88 57.66 2wks h LEU 145 Cb 0.88 -0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.44 2wks h LEU 145 CO 0.08 0.78 0.18 0.00 0.09 0.00 0.00 178.44 179.57 2wks h ALA 146 N 0.47 1.05 0.00 1.53 0.00 -1.03 -1.85 119.26 119.43 2wks h ALA 146 Ca 0.00 0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2wks h ALA 146 Cb 0.74 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2wks h ALA 146 CO 0.03 -0.39 -0.69 1.49 0.00 0.00 0.00 179.25 179.69 2wks h GLU 147 N 0.23 0.00 -0.41 0.00 4.81 -1.10 -0.23 114.58 117.89 2wks h GLU 147 Ca 0.47 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.55 2wks h GLU 147 Cb 0.85 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 2wks h GLU 147 CO -0.58 0.69 -0.31 0.52 -0.73 0.00 0.00 179.01 178.60 2wks h MET 148 N 0.00 0.90 0.00 1.92 2.86 -0.53 -3.00 114.93 117.08 2wks h MET 148 Ca -0.01 -0.43 -0.20 0.00 -2.06 0.00 0.00 59.70 57.00 2wks h MET 148 Cb 1.33 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.95 2wks h MET 148 CO 0.09 1.08 -1.20 0.87 1.06 0.00 0.00 176.91 178.81 2wks h LYS 149 N 0.76 0.00 0.00 1.72 1.57 -1.28 -3.05 116.57 116.29 2wks h LYS 149 Ca 0.08 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 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 0.59 -0.17 0.00 -0.57 0.00 0.00 179.45 179.38 2wks h ALA 150 N 1.20 -0.21 -0.98 3.86 0.00 -1.07 -3.05 119.26 119.00 2wks h ALA 150 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2wks h ALA 150 Cb 1.72 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 19.76 2wks h ALA 150 CO 0.08 -0.66 0.64 0.35 0.00 0.00 0.00 179.25 179.67 2wks h PHE 151 N -0.28 1.24 -0.95 0.00 -0.00 -1.59 -2.78 116.94 112.58 2wks h PHE 151 Ca 0.05 0.03 0.10 0.00 -0.00 0.00 0.00 57.97 58.15 2wks h PHE 151 Cb 0.35 -0.42 -0.13 0.00 -0.00 0.00 0.00 35.95 35.75 2wks h PHE 151 CO -0.22 0.79 -0.53 0.37 -0.00 0.00 0.00 178.31 178.71 2wks h GLN 152 N 1.33 -0.03 0.00 1.11 4.15 -1.42 -3.52 115.11 116.73 2wks h GLN 152 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.78 2wks h GLN 152 Cb -0.15 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.55 2wks h GLN 152 CO -0.08 -0.02 0.00 0.39 -1.93 0.00 0.00 178.83 177.19