#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ppb s GLU 2 N 0.00 2.45 -0.05 0.03 2.02 -1.26 -5.05 118.70 116.84 2ppb s GLU 2 Ca 0.00 -1.27 0.02 0.00 0.02 0.00 0.00 54.97 53.74 2ppb s GLU 2 Cb 0.00 -2.29 0.02 0.00 0.10 0.00 0.00 34.13 31.95 2ppb s GLU 2 CO 0.00 0.39 -0.08 0.42 0.02 0.00 0.00 175.26 176.02 2ppb s ILE 3 N -2.14 0.77 -0.11 -1.63 -1.09 -1.26 -2.90 121.20 112.84 2ppb s ILE 3 Ca 0.31 -0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.46 2ppb s ILE 3 Cb -0.07 -0.74 0.02 0.00 -1.58 0.00 0.00 42.46 40.09 2ppb s ILE 3 CO 0.21 0.27 -0.10 -0.75 -1.23 0.00 0.00 174.94 173.33 2ppb s LYS 4 N 0.74 1.79 -0.35 2.79 2.20 -1.21 -5.06 119.74 120.64 2ppb s LYS 4 Ca -0.12 -0.37 -0.10 0.00 -0.36 0.00 0.00 55.97 55.02 2ppb s LYS 4 Cb -0.14 -1.70 0.02 0.00 -1.51 0.00 0.00 37.83 34.49 2ppb s LYS 4 CO 0.02 -0.20 0.18 1.03 -0.36 0.00 0.00 175.35 176.01 2ppb s ARG 5 N 1.45 3.00 0.00 4.03 0.52 -1.26 -3.45 118.95 123.24 2ppb s ARG 5 Ca 0.01 -0.95 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 2ppb s ARG 5 Cb -0.13 -3.64 0.00 0.00 0.52 0.00 0.00 34.95 31.69 2ppb s ARG 5 CO -0.07 -0.59 0.57 1.19 0.02 0.00 0.00 175.30 176.43 2ppb n PHE 6 N 4.98 0.00 -1.69 -0.53 3.01 -1.24 -4.92 117.46 117.06 2ppb n PHE 6 Ca -0.13 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.90 2ppb n PHE 6 Cb 0.47 -0.46 -0.01 0.00 -0.01 0.00 0.00 39.48 39.47 2ppb n PHE 6 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ppb n GLY 7 N 0.25 0.65 2.68 1.37 0.00 -1.25 -5.00 105.19 103.89 2ppb n GLY 7 Ca 0.00 0.36 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 2ppb n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ppb s ARG 8 N -1.51 0.61 -0.22 1.61 1.81 -1.26 -4.98 118.95 115.01 2ppb s ARG 8 Ca 0.58 -0.99 -0.00 0.00 -1.72 0.00 0.00 55.73 53.60 2ppb s ARG 8 Cb -0.58 -1.79 0.06 0.00 -0.45 0.00 0.00 34.95 32.19 2ppb s ARG 8 CO 0.59 -1.01 -0.04 0.96 -0.68 0.00 0.00 175.30 175.12 2ppb s ILE 9 N 1.66 1.28 -0.54 1.52 -4.36 -1.26 -5.07 121.20 114.43 2ppb s ILE 9 Ca 0.10 -1.00 -0.26 0.00 -0.26 0.00 0.00 60.65 59.23 2ppb s ILE 9 Cb -0.17 -1.58 -0.08 0.00 1.25 0.00 0.00 42.46 41.88 2ppb s ILE 9 CO -0.26 -0.08 2.42 0.54 0.24 0.00 0.00 174.94 177.80 2ppb n ARG 10 N 4.77 0.96 -1.55 0.37 5.12 -1.26 -4.81 116.66 120.27 2ppb n ARG 10 Ca -0.12 -0.12 -0.34 0.00 -1.93 0.00 0.00 57.85 55.34 2ppb n ARG 10 Cb 0.45 -3.46 -0.04 0.00 -1.16 0.00 0.00 32.46 28.25 2ppb n ARG 10 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2ppb n GLU 11 N 8.97 0.96 -0.00 5.56 2.13 -1.26 -4.79 120.64 132.20 2ppb n GLU 11 Ca 0.39 -0.08 -0.08 0.00 0.66 0.00 0.00 57.16 58.05 2ppb n GLU 11 Cb 0.53 -3.41 0.09 0.00 0.27 0.00 0.00 31.44 28.91 2ppb n GLU 11 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 2ppb h VAL 12 N 7.72 1.31 -3.96 6.31 3.04 -1.87 -3.45 116.25 125.35 2ppb h VAL 12 Ca -0.21 -1.65 -0.30 0.00 -1.01 0.00 0.00 66.70 63.53 2ppb h VAL 12 Cb 1.25 1.63 -0.22 0.00 -2.01 0.00 0.00 31.29 31.94 2ppb h VAL 12 CO 1.16 0.52 -0.74 0.27 -1.01 0.00 0.00 177.57 177.76 2ppb s ILE 13 N -4.16 0.63 0.85 3.17 -4.36 -1.26 -5.09 121.20 110.98 2ppb s ILE 13 Ca -0.07 -1.06 -0.11 0.00 -0.26 0.00 0.00 60.65 59.15 2ppb s ILE 13 Cb 0.12 -0.67 0.10 0.00 1.25 0.00 0.00 42.46 43.26 2ppb s ILE 13 CO 0.83 -0.32 1.11 -2.84 0.24 0.00 0.00 174.94 173.95 2ppb s PRO 14 N -1.51 1.63 0.15 0.37 0.02 -1.26 -4.96 135.00 129.43 2ppb s PRO 14 Ca -0.08 1.23 -0.31 0.00 0.02 0.00 0.00 61.00 61.87 2ppb s PRO 14 Cb -0.10 -1.82 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 2ppb s PRO 14 CO 0.01 -2.10 1.38 -0.51 -0.33 0.00 0.00 177.00 175.44 2ppb s LEU 15 N -6.22 4.38 0.00 -5.54 1.02 -1.26 -5.00 118.68 106.06 2ppb s LEU 15 Ca 0.63 2.38 -0.19 0.00 0.02 0.00 0.00 54.13 56.97 2ppb s LEU 15 Cb -0.19 -3.60 0.29 0.00 0.02 0.00 0.00 46.19 42.72 2ppb s LEU 15 CO 0.57 -0.63 0.66 -2.65 0.02 0.00 0.00 176.35 174.32 2ppb n PRO 16 N 3.50 -3.65 -2.17 1.29 -0.02 -1.26 -4.83 135.00 127.85 2ppb n PRO 16 Ca 0.10 -1.11 -0.43 0.00 -2.02 0.00 0.00 63.50 60.04 2ppb n PRO 16 Cb 0.42 -1.58 -0.02 0.00 -0.02 0.00 0.00 33.50 32.30 2ppb n PRO 16 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2ppb s PRO 17 N -4.40 3.40 0.12 0.52 0.02 -1.26 -4.91 135.00 128.48 2ppb s PRO 17 Ca 0.51 1.12 -0.32 0.00 0.02 0.00 0.00 61.00 62.33 2ppb s PRO 17 Cb -0.09 -4.13 -0.11 0.00 0.02 0.00 0.00 34.50 30.19 2ppb s PRO 17 CO 0.43 -1.78 1.53 -0.07 -0.33 0.00 0.00 177.00 176.77 2ppb h LEU 18 N 13.16 -1.73 0.00 -5.54 4.07 -1.89 0.11 115.31 123.49 2ppb h LEU 18 Ca -0.30 0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.87 2ppb h LEU 18 Cb 1.14 0.69 0.00 0.00 1.08 0.00 0.00 40.66 43.57 2ppb h LEU 18 CO 1.07 -0.42 0.00 0.35 -1.08 0.00 0.00 178.44 178.36 2ppb n THR 19 N -5.28 0.00 -0.35 0.22 -2.24 -1.26 -4.10 114.28 101.27 2ppb n THR 19 Ca -0.05 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.64 2ppb n THR 19 Cb 0.34 -0.54 -0.08 0.00 -2.10 0.00 0.00 70.33 67.95 2ppb n THR 19 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2ppb n GLU 20 N -0.74 -0.36 -0.14 -0.78 2.13 0.39 -1.06 120.64 120.08 2ppb n GLU 20 Ca 0.05 1.25 -0.05 0.00 0.66 0.00 0.00 57.16 59.07 2ppb n GLU 20 Cb 0.02 -1.83 -0.04 0.00 0.27 0.00 0.00 31.44 29.86 2ppb n GLU 20 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 2ppb h ILE 21 N 0.00 0.00 -0.63 6.31 -0.00 -1.81 -0.05 117.51 121.32 2ppb h ILE 21 Ca 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 64.86 64.96 2ppb h ILE 21 Cb 0.34 0.00 -0.03 0.00 -0.00 0.00 0.00 36.82 37.13 2ppb h ILE 21 CO -0.78 0.00 0.25 1.56 -0.00 0.00 0.00 178.15 179.19 2ppb h GLN 22 N -0.04 0.95 0.41 0.16 4.20 -1.61 -1.87 115.11 117.30 2ppb h GLN 22 Ca 0.05 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 2ppb h GLN 22 Cb 0.18 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2ppb h GLN 22 CO -0.33 0.80 -0.20 0.28 -0.67 0.00 0.00 178.83 178.71 2ppb h VAL 23 N 0.89 0.39 -0.24 -0.54 2.07 -0.50 -2.87 116.25 115.44 2ppb h VAL 23 Ca 0.21 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 2ppb h VAL 23 Cb 0.20 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2ppb h VAL 23 CO -0.02 0.08 -0.16 -0.33 0.02 0.00 0.00 177.57 177.16 2ppb h GLU 24 N -0.98 0.41 -0.53 1.57 4.39 -1.11 -1.75 114.58 116.58 2ppb h GLU 24 Ca -0.06 -0.12 0.06 0.00 0.34 0.00 0.00 59.36 59.58 2ppb h GLU 24 Cb 0.55 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.10 2ppb h GLU 24 CO 0.09 0.57 0.23 1.03 -1.16 0.00 0.00 179.01 179.77 2ppb h SER 25 N 0.38 0.28 1.40 1.42 0.87 -1.35 0.17 113.55 116.72 2ppb h SER 25 Ca 0.07 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2ppb h SER 25 Cb 0.51 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2ppb h SER 25 CO 0.03 0.19 0.00 0.22 -0.53 0.00 0.00 176.83 176.74 2ppb h TYR 26 N 0.44 0.00 0.29 2.24 3.20 -1.26 -0.03 116.97 121.86 2ppb h TYR 26 Ca 0.25 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 2ppb h TYR 26 Cb 0.23 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2ppb h TYR 26 CO -0.13 0.00 -0.14 0.00 -1.64 0.00 0.00 178.16 176.24 2ppb h ARG 27 N 0.00 -0.38 -0.46 1.82 3.08 0.15 -2.29 114.38 116.30 2ppb h ARG 27 Ca 0.00 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2ppb h ARG 27 Cb 0.70 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 2ppb h ARG 27 CO 0.00 -0.04 0.11 -0.09 -1.07 0.00 0.00 179.97 178.88 2ppb h ARG 28 N -0.89 0.69 0.22 0.04 2.43 -1.00 -2.93 114.38 112.94 2ppb h ARG 28 Ca -0.04 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2ppb h ARG 28 Cb 0.51 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2ppb h ARG 28 CO 0.07 0.63 -0.27 0.00 -1.51 0.00 0.00 179.97 178.89 2ppb h ALA 29 N 1.45 -0.93 -2.66 2.80 0.00 -1.02 -3.35 119.26 115.55 2ppb h ALA 29 Ca 0.15 -0.09 -0.73 0.00 0.00 0.00 0.00 54.91 54.24 2ppb h ALA 29 Cb 0.26 0.55 -0.30 0.00 0.00 0.00 0.00 17.79 18.30 2ppb h ALA 29 CO -0.00 -0.96 -0.39 -0.48 0.00 0.00 0.00 179.25 177.42 2ppb s LEU 30 N -7.52 5.70 0.00 0.00 0.05 -0.86 -1.27 118.68 114.78 2ppb s LEU 30 Ca -0.09 -1.94 0.00 0.00 0.05 0.00 0.00 54.13 52.14 2ppb s LEU 30 Cb 0.02 -2.01 0.00 0.00 -2.05 0.00 0.00 46.19 42.16 2ppb s LEU 30 CO 0.32 -0.69 0.50 1.67 -0.55 0.00 0.00 176.35 177.61 2ppb n GLN 31 N 4.87 0.68 -0.35 1.48 0.00 -1.12 -4.44 117.38 118.50 2ppb n GLN 31 Ca -0.07 0.00 0.27 0.00 -0.00 0.00 0.00 57.00 57.20 2ppb n GLN 31 Cb 0.41 -1.18 0.56 0.00 0.00 0.00 0.00 30.24 30.03 2ppb n GLN 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ppb h ALA 32 N 2.01 2.42 -0.05 1.69 0.00 -1.92 -1.74 119.26 121.66 2ppb h ALA 32 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2ppb h ALA 32 Cb 0.18 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2ppb h ALA 32 CO 0.00 -0.87 0.04 0.22 0.00 0.00 0.00 179.25 178.64 2ppb h ASP 33 N 0.29 0.00 -3.65 0.00 3.58 -1.92 -3.41 116.42 111.30 2ppb h ASP 33 Ca 0.65 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 57.41 2ppb h ASP 33 Cb 1.82 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 42.68 2ppb h ASP 33 CO -0.31 0.00 -0.69 0.68 -2.88 0.00 0.00 179.24 176.04 2ppb s VAL 34 N -4.94 3.70 0.99 2.25 -7.23 -0.66 -5.10 120.40 109.40 2ppb s VAL 34 Ca -0.05 -0.48 -0.16 0.00 -1.81 0.00 0.00 61.98 59.48 2ppb s VAL 34 Cb 0.17 -2.51 -0.07 0.00 0.56 0.00 0.00 36.38 34.52 2ppb s VAL 34 CO 0.64 0.59 -0.35 -2.65 -0.31 0.00 0.00 175.10 173.02 2ppb n PRO 35 N 2.29 -0.19 0.27 4.82 -0.02 -1.26 -4.77 135.00 136.13 2ppb n PRO 35 Ca -0.18 -0.04 0.18 0.00 -2.02 0.00 0.00 63.50 61.45 2ppb n PRO 35 Cb 0.53 -1.36 0.98 0.00 -0.02 0.00 0.00 33.50 33.62 2ppb n PRO 35 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2ppb h PRO 36 N -1.27 0.00 0.05 0.52 0.11 -1.93 -2.09 132.00 127.39 2ppb h PRO 36 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 2ppb h PRO 36 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 2ppb h PRO 36 CO 0.28 0.00 -0.04 0.93 -0.21 0.00 0.00 178.00 178.96 2ppb h GLU 37 N 0.00 -0.09 -6.32 1.05 5.08 -1.99 -3.43 114.58 108.88 2ppb h GLU 37 Ca 0.00 0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 2ppb h GLU 37 Cb 0.01 0.02 0.04 0.00 0.50 0.00 0.00 28.75 29.32 2ppb h GLU 37 CO 0.00 -0.06 0.82 1.63 -1.00 0.00 0.00 179.01 180.40 2ppb n LYS 38 N -5.14 1.74 -0.14 2.33 4.76 -0.79 -4.90 118.16 116.02 2ppb n LYS 38 Ca -0.07 0.63 -0.05 0.00 -2.87 0.00 0.00 58.31 55.95 2ppb n LYS 38 Cb 0.07 -2.38 0.01 0.00 -1.84 0.00 0.00 35.03 30.90 2ppb n LYS 38 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ppb h ARG 39 N 6.72 -0.12 -5.09 1.97 -0.00 -1.89 -3.42 114.38 112.56 2ppb h ARG 39 Ca -0.47 0.01 -0.33 0.00 -0.50 0.00 0.00 59.98 58.69 2ppb h ARG 39 Cb 1.29 0.03 -0.09 0.00 0.00 0.00 0.00 29.97 31.20 2ppb h ARG 39 CO 0.89 -0.08 1.64 -1.91 0.00 0.00 0.00 179.97 180.51 2ppb n GLU 40 N -5.39 0.14 -0.82 0.04 4.07 -1.26 -4.73 120.64 112.69 2ppb n GLU 40 Ca 0.03 -0.14 0.07 0.00 -0.06 0.00 0.00 57.16 57.06 2ppb n GLU 40 Cb 0.30 -1.65 0.37 0.00 -0.06 0.00 0.00 31.44 30.40 2ppb n GLU 40 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 2ppb n ASN 41 N 9.10 5.32 -4.79 4.31 0.23 -1.26 -4.85 115.26 123.32 2ppb n ASN 41 Ca 0.63 -2.98 -0.27 0.00 -0.53 0.00 0.00 54.58 51.43 2ppb n ASN 41 Cb 0.19 -0.66 0.09 0.00 -2.08 0.00 0.00 39.78 37.32 2ppb n ASN 41 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2ppb s VAL 42 N -2.81 2.16 0.00 3.53 1.01 -1.26 -1.56 120.40 121.47 2ppb s VAL 42 Ca 0.52 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.31 2ppb s VAL 42 Cb 0.41 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.82 2ppb s VAL 42 CO 0.14 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.85 2ppb n GLY 43 N -3.13 2.08 0.00 4.51 0.00 -1.26 -4.00 105.19 103.38 2ppb n GLY 43 Ca 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2ppb n GLY 43 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ppb n ILE 44 N 0.00 0.00 -0.35 -0.61 2.08 -0.40 0.19 119.36 120.27 2ppb n ILE 44 Ca 0.00 1.43 0.08 0.00 0.56 0.00 0.00 62.75 64.82 2ppb n ILE 44 Cb 0.00 -1.97 0.25 0.00 -0.75 0.00 0.00 39.64 37.17 2ppb n ILE 44 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 2ppb h GLN 45 N 0.00 0.87 0.43 0.38 4.15 -1.81 0.88 115.11 120.00 2ppb h GLN 45 Ca 0.00 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 2ppb h GLN 45 Cb 0.00 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.50 2ppb h GLN 45 CO 0.00 0.57 -0.21 0.00 -1.93 0.00 0.00 178.83 177.27 2ppb h ALA 46 N 1.56 -0.57 -0.42 3.38 0.00 -0.15 -2.04 119.26 121.01 2ppb h ALA 46 Ca 0.51 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.34 2ppb h ALA 46 Cb 0.60 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2ppb h ALA 46 CO -0.30 -0.75 0.29 0.00 0.00 0.00 0.00 179.25 178.49 2ppb h ALA 47 N -0.22 2.12 -0.54 0.00 0.00 0.17 0.17 119.26 120.96 2ppb h ALA 47 Ca -0.06 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2ppb h ALA 47 Cb 0.52 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2ppb h ALA 47 CO 0.10 -0.22 0.02 0.35 0.00 0.00 0.00 179.25 179.49 2ppb h PHE 48 N 0.21 1.02 0.00 0.00 3.04 -0.51 -2.59 116.94 118.12 2ppb h PHE 48 Ca 0.19 -0.17 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 2ppb h PHE 48 Cb 0.50 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 2ppb h PHE 48 CO -0.00 0.93 -0.24 -0.09 -2.02 0.00 0.00 178.31 176.89 2ppb h ARG 49 N 0.82 0.00 -0.98 1.11 9.65 -0.59 -1.04 114.38 123.36 2ppb h ARG 49 Ca 0.16 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.07 2ppb h ARG 49 Cb 0.51 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.03 2ppb h ARG 49 CO 0.02 0.05 0.65 1.49 2.80 0.00 0.00 179.97 184.98 2ppb h GLU 50 N 0.00 1.21 0.00 0.20 4.81 -0.32 -3.28 114.58 117.21 2ppb h GLU 50 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2ppb h GLU 50 Cb 1.04 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2ppb h GLU 50 CO 0.01 0.80 -0.13 0.25 -0.73 0.00 0.00 179.01 179.20 2ppb n THR 51 N -4.44 0.97 -0.08 0.32 -2.24 -1.07 -4.89 114.28 102.85 2ppb n THR 51 Ca 0.13 -1.13 -0.14 0.00 -2.27 0.00 0.00 64.05 60.64 2ppb n THR 51 Cb 0.10 0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.50 2ppb n THR 51 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2ppb h PHE 52 N 0.00 0.00 -0.43 4.78 3.04 -1.24 -3.42 116.94 119.68 2ppb h PHE 52 Ca 0.00 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 2ppb h PHE 52 Cb 1.01 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.51 2ppb h PHE 52 CO 0.03 0.87 0.28 -2.30 -2.02 0.00 0.00 178.31 175.16 2ppb n PRO 53 N -4.54 0.56 -2.72 6.41 -0.02 -1.25 -4.67 135.00 128.77 2ppb n PRO 53 Ca -0.19 -0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 60.14 2ppb n PRO 53 Cb 0.47 -3.50 -0.03 0.00 -0.02 0.00 0.00 33.50 30.41 2ppb n PRO 53 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2ppb s ILE 54 N 13.74 4.07 -0.40 4.25 2.07 -1.22 -4.96 121.20 138.75 2ppb s ILE 54 Ca 0.96 0.04 -0.15 0.00 -1.41 0.00 0.00 60.65 60.09 2ppb s ILE 54 Cb -0.19 -4.77 0.01 0.00 0.13 0.00 0.00 42.46 37.64 2ppb s ILE 54 CO 0.13 -1.60 0.32 -0.70 -1.91 0.00 0.00 174.94 171.18 2ppb s GLU 55 N 4.78 3.09 -0.26 3.50 2.56 -1.26 -3.97 118.70 127.13 2ppb s GLU 55 Ca 0.29 -0.90 0.01 0.00 0.00 0.00 0.00 54.97 54.37 2ppb s GLU 55 Cb -0.13 -3.95 0.07 0.00 2.00 0.00 0.00 34.13 32.13 2ppb s GLU 55 CO 0.13 -0.72 -0.02 -1.21 -0.56 0.00 0.00 175.26 172.88 2ppb s GLU 56 N 1.78 1.54 0.00 4.30 0.41 -1.22 -5.02 118.70 120.49 2ppb s GLU 56 Ca 0.07 -1.16 0.00 0.00 -0.41 0.00 0.00 54.97 53.46 2ppb s GLU 56 Cb -0.18 -2.64 0.00 0.00 -1.78 0.00 0.00 34.13 29.53 2ppb s GLU 56 CO 0.11 -0.69 0.00 -1.91 -0.49 0.00 0.00 175.26 172.27 2ppb n GLU 57 N 4.61 0.00 -4.44 1.61 4.07 -1.26 -0.75 120.64 124.47 2ppb n GLU 57 Ca -0.08 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.77 2ppb n GLU 57 Cb 0.43 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.65 2ppb n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2ppb s ASP 58 N -0.50 1.79 0.00 4.31 1.11 -1.26 -2.09 116.67 120.04 2ppb s ASP 58 Ca 0.00 -0.29 0.00 0.00 0.18 0.00 0.00 52.55 52.44 2ppb s ASP 58 Cb 0.00 -0.81 0.00 0.00 1.07 0.00 0.00 42.92 43.18 2ppb s ASP 58 CO 0.00 0.00 0.00 0.29 1.18 0.00 0.00 175.17 176.64 2ppb n LYS 59 N 4.02 0.00 0.00 8.23 5.02 -1.26 -5.06 118.16 129.11 2ppb n LYS 59 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 2ppb n LYS 59 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 2ppb n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ppb n GLY 60 N 0.00 1.61 3.24 0.72 0.00 -1.26 -4.81 105.19 104.68 2ppb n GLY 60 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 2ppb n GLY 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ppb s LYS 61 N 0.00 2.27 0.00 1.61 2.36 -1.26 -5.10 119.74 119.62 2ppb s LYS 61 Ca 0.00 -0.83 0.00 0.00 -2.55 0.00 0.00 55.97 52.59 2ppb s LYS 61 Cb 0.00 -1.97 0.00 0.00 -1.05 0.00 0.00 37.83 34.81 2ppb s LYS 61 CO 0.00 0.37 0.00 0.41 1.55 0.00 0.00 175.35 177.68 2ppb n GLY 62 N 2.91 4.95 0.87 5.54 0.00 -0.89 -4.96 105.19 113.61 2ppb n GLY 62 Ca -0.17 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2ppb n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppb n GLY 63 N 0.00 1.25 3.70 -0.02 0.00 0.07 -4.58 105.19 105.61 2ppb n GLY 63 Ca 0.00 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 2ppb n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ppb s LEU 64 N -0.04 4.34 -0.27 0.99 2.96 -0.69 -4.28 118.68 121.69 2ppb s LEU 64 Ca 0.00 2.08 -0.03 0.00 -0.22 0.00 0.00 54.13 55.96 2ppb s LEU 64 Cb 0.00 -3.57 0.10 0.00 0.50 0.00 0.00 46.19 43.22 2ppb s LEU 64 CO 0.00 -0.62 0.16 -0.69 -1.32 0.00 0.00 176.35 173.88 2ppb s VAL 65 N 1.76 -0.14 -0.20 1.68 1.01 -1.24 -3.41 120.40 119.85 2ppb s VAL 65 Ca 0.61 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 2ppb s VAL 65 Cb -0.31 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2ppb s VAL 65 CO 0.27 -0.61 0.04 -0.22 0.00 0.00 0.00 175.10 174.58 2ppb s LEU 66 N 2.16 3.51 0.10 3.92 2.96 -1.26 0.59 118.68 130.66 2ppb s LEU 66 Ca 0.08 -0.09 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 2ppb s LEU 66 Cb -0.16 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 2ppb s LEU 66 CO -0.32 0.10 -0.12 -1.81 -1.32 0.00 0.00 176.35 172.87 2ppb s ASP 67 N 0.83 1.64 -0.02 3.68 1.01 -0.86 -3.42 116.67 119.53 2ppb s ASP 67 Ca 0.02 -0.75 -0.21 0.00 0.71 0.00 0.00 52.55 52.33 2ppb s ASP 67 Cb -0.14 -0.03 -0.05 0.00 1.01 0.00 0.00 42.92 43.71 2ppb s ASP 67 CO 0.02 -0.18 0.60 0.12 0.21 0.00 0.00 175.17 175.95 2ppb s PHE 68 N -1.99 3.65 0.00 4.23 5.36 -1.26 -2.73 117.98 125.25 2ppb s PHE 68 Ca 0.04 1.18 0.00 0.00 -0.96 0.00 0.00 56.93 57.19 2ppb s PHE 68 Cb -0.06 -2.63 0.00 0.00 -0.34 0.00 0.00 43.02 39.99 2ppb s PHE 68 CO 0.02 0.30 0.00 1.28 -1.46 0.00 0.00 175.22 175.35 2ppb n LEU 69 N 2.95 0.00 -3.75 6.12 4.77 -1.16 -5.05 117.00 120.88 2ppb n LEU 69 Ca -0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 2ppb n LEU 69 Cb 0.51 -0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 41.22 2ppb n LEU 69 CO 0.44 -0.32 -0.15 -1.61 -1.33 0.00 0.00 177.39 174.42 2ppb s GLU 70 N -0.64 0.19 -0.22 3.23 2.02 -1.26 -5.00 118.70 117.00 2ppb s GLU 70 Ca 0.00 0.42 -0.19 0.00 0.02 0.00 0.00 54.97 55.22 2ppb s GLU 70 Cb 0.00 -0.07 -0.03 0.00 0.10 0.00 0.00 34.13 34.13 2ppb s GLU 70 CO 0.00 -0.13 0.57 1.52 0.02 0.00 0.00 175.26 177.24 2ppb s TYR 71 N 0.92 3.33 -0.06 1.61 -0.85 -1.26 -2.37 117.35 118.67 2ppb s TYR 71 Ca -0.07 0.80 -0.02 0.00 -0.52 0.00 0.00 57.07 57.26 2ppb s TYR 71 Cb -0.08 -2.75 0.04 0.00 0.38 0.00 0.00 41.96 39.55 2ppb s TYR 71 CO -0.05 -0.20 0.12 -0.98 -1.52 0.00 0.00 175.55 172.91 2ppb s ARG 72 N 2.03 0.03 -0.04 -3.49 1.70 -1.26 -4.82 118.95 113.10 2ppb s ARG 72 Ca 0.25 0.39 0.03 0.00 -0.47 0.00 0.00 55.73 55.93 2ppb s ARG 72 Cb -0.16 -0.27 0.00 0.00 -0.57 0.00 0.00 34.95 33.96 2ppb s ARG 72 CO 0.09 -0.23 -0.11 -0.48 -1.08 0.00 0.00 175.30 173.49 2ppb s LEU 73 N 1.62 1.76 0.00 -1.89 0.05 -1.26 -2.51 118.68 116.44 2ppb s LEU 73 Ca -0.04 -0.24 0.00 0.00 0.05 0.00 0.00 54.13 53.90 2ppb s LEU 73 Cb -0.12 -0.70 0.00 0.00 -2.05 0.00 0.00 46.19 43.32 2ppb s LEU 73 CO -0.05 0.07 0.00 0.61 -0.55 0.00 0.00 176.35 176.43 2ppb n GLY 74 N 3.41 0.00 3.15 -3.48 0.00 -1.17 -4.94 105.19 102.16 2ppb n GLY 74 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 2ppb n GLY 74 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ppb s GLU 75 N -0.65 2.50 0.24 1.61 2.56 -1.26 -4.94 118.70 118.76 2ppb s GLU 75 Ca 0.00 -2.17 -0.30 0.00 0.00 0.00 0.00 54.97 52.50 2ppb s GLU 75 Cb 0.00 -3.81 -0.15 0.00 2.00 0.00 0.00 34.13 32.17 2ppb s GLU 75 CO 0.00 -1.17 1.07 -2.30 -0.56 0.00 0.00 175.26 172.30 2ppb n PRO 76 N 4.15 1.27 0.30 4.30 -0.02 -1.26 -4.51 135.00 139.23 2ppb n PRO 76 Ca 0.02 0.45 -0.17 0.00 -2.02 0.00 0.00 63.50 61.78 2ppb n PRO 76 Cb 0.40 -1.87 -0.09 0.00 -0.02 0.00 0.00 33.50 31.93 2ppb n PRO 76 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2ppb h PRO 77 N 2.59 -0.89 -4.99 0.52 0.11 -1.97 -3.46 132.00 123.91 2ppb h PRO 77 Ca -0.41 0.06 -0.54 0.00 0.11 0.00 0.00 66.00 65.22 2ppb h PRO 77 Cb 1.34 0.20 -0.13 0.00 0.11 0.00 0.00 31.00 32.52 2ppb h PRO 77 CO 0.65 -0.59 -0.50 -0.06 -0.21 0.00 0.00 178.00 177.28 2ppb s PHE 78 N -5.96 1.77 0.30 0.65 0.40 -1.26 -5.17 117.98 108.71 2ppb s PHE 78 Ca -0.18 -1.42 0.06 0.00 -0.60 0.00 0.00 56.93 54.80 2ppb s PHE 78 Cb 0.05 -1.02 -0.02 0.00 0.51 0.00 0.00 43.02 42.54 2ppb s PHE 78 CO 0.62 -0.49 0.38 -1.25 0.70 0.00 0.00 175.22 175.17 2ppb s PRO 79 N -3.62 3.09 0.00 0.24 0.04 -1.26 -4.91 135.00 128.58 2ppb s PRO 79 Ca 0.28 -1.02 0.00 0.00 0.04 0.00 0.00 61.00 60.30 2ppb s PRO 79 Cb 0.02 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.83 2ppb s PRO 79 CO 0.18 0.19 0.61 1.04 0.04 0.00 0.00 177.00 179.07 2ppb n GLN 80 N -1.48 0.00 0.25 4.56 1.13 -1.26 -0.04 117.38 120.55 2ppb n GLN 80 Ca -0.03 0.61 0.09 0.00 -1.94 0.00 0.00 57.00 55.72 2ppb n GLN 80 Cb 0.58 -1.00 0.64 0.00 0.11 0.00 0.00 30.24 30.58 2ppb n GLN 80 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2ppb h ASP 81 N 0.00 0.00 0.69 1.08 5.19 -1.99 0.27 116.42 121.66 2ppb h ASP 81 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2ppb h ASP 81 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 2ppb h ASP 81 CO 0.00 0.11 -0.11 -0.33 -3.12 0.00 0.00 179.24 175.79 2ppb h GLU 82 N 0.00 0.00 0.00 3.56 4.39 -1.32 0.11 114.58 121.32 2ppb h GLU 82 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ppb h GLU 82 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2ppb h GLU 82 CO 0.01 0.11 -0.08 0.00 -1.16 0.00 0.00 179.01 177.90 2ppb n ARG 84 N -2.73 0.67 0.07 0.00 1.74 -0.53 -1.36 116.66 114.52 2ppb n ARG 84 Ca 0.04 0.17 -0.13 0.00 -0.77 0.00 0.00 57.85 57.16 2ppb n ARG 84 Cb 0.49 -1.55 -0.08 0.00 -1.02 0.00 0.00 32.46 30.31 2ppb n ARG 84 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2ppb h GLU 85 N 0.00 -0.10 -6.17 5.56 4.57 -1.15 -3.41 114.58 113.88 2ppb h GLU 85 Ca -0.56 0.01 -0.58 0.00 -1.18 0.00 0.00 59.36 57.05 2ppb h GLU 85 Cb 1.92 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 30.49 2ppb h GLU 85 CO -0.07 -0.00 -0.19 0.15 -1.18 0.00 0.00 179.01 177.72 2ppb s LYS 86 N -5.88 3.85 -1.10 1.92 1.02 -1.13 -4.98 119.74 113.44 2ppb s LYS 86 Ca -0.14 0.31 -0.23 0.00 0.02 0.00 0.00 55.97 55.93 2ppb s LYS 86 Cb 0.05 -3.00 -0.05 0.00 -0.52 0.00 0.00 37.83 34.31 2ppb s LYS 86 CO 0.65 0.55 1.88 -0.51 -0.92 0.00 0.00 175.35 177.00 2ppb s ASP 87 N -1.66 5.40 0.28 2.83 1.11 -1.26 -4.39 116.67 118.97 2ppb s ASP 87 Ca 0.33 -1.45 0.12 0.00 0.18 0.00 0.00 52.55 51.73 2ppb s ASP 87 Cb -0.15 -2.58 -0.05 0.00 1.07 0.00 0.00 42.92 41.22 2ppb s ASP 87 CO 0.18 -2.63 -0.19 -0.22 1.18 0.00 0.00 175.17 173.49 2ppb s LEU 88 N 9.45 2.59 -0.36 1.23 2.96 -0.46 -4.74 118.68 129.35 2ppb s LEU 88 Ca 0.65 -1.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.50 2ppb s LEU 88 Cb -0.02 -1.07 0.08 0.00 0.50 0.00 0.00 46.19 45.68 2ppb s LEU 88 CO 0.07 0.02 0.12 0.28 -1.32 0.00 0.00 176.35 175.51 2ppb s THR 89 N -2.54 3.25 -0.42 3.68 -1.32 -1.19 -3.32 115.64 113.78 2ppb s THR 89 Ca 0.30 -1.68 -0.27 0.00 -1.21 0.00 0.00 61.69 58.83 2ppb s THR 89 Cb -0.04 -3.05 -0.03 0.00 -1.51 0.00 0.00 72.50 67.87 2ppb s THR 89 CO 0.15 -0.41 2.00 -0.47 -2.21 0.00 0.00 174.62 173.68 2ppb s TYR 90 N 1.22 1.53 -0.02 9.09 5.04 -1.00 -4.95 117.35 128.26 2ppb s TYR 90 Ca 0.02 0.84 -0.03 0.00 -2.44 0.00 0.00 57.07 55.46 2ppb s TYR 90 Cb -0.21 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.12 2ppb s TYR 90 CO -0.02 -2.86 0.07 -0.65 -1.34 0.00 0.00 175.55 170.75 2ppb s GLN 91 N 6.65 0.17 0.32 4.97 -0.21 -1.26 -2.53 119.66 127.77 2ppb s GLN 91 Ca 0.83 -0.06 -0.15 0.00 0.02 0.00 0.00 55.36 56.00 2ppb s GLN 91 Cb -0.20 0.07 -0.09 0.00 1.00 0.00 0.00 33.01 33.79 2ppb s GLN 91 CO 0.29 -0.03 0.74 0.00 -2.12 0.00 0.00 175.29 174.17 2ppb s ALA 92 N -0.34 3.32 0.05 6.09 0.00 0.82 -4.12 121.76 127.57 2ppb s ALA 92 Ca -0.04 0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.74 2ppb s ALA 92 Cb -0.03 -2.78 -0.06 0.00 0.00 0.00 0.00 23.12 20.26 2ppb s ALA 92 CO 0.00 0.33 0.71 -1.25 0.00 0.00 0.00 175.76 175.55 2ppb s PRO 93 N -2.92 4.44 -0.07 0.00 0.05 -1.26 -2.71 135.00 132.53 2ppb s PRO 93 Ca 0.54 0.97 0.03 0.00 0.05 0.00 0.00 61.00 62.59 2ppb s PRO 93 Cb -0.11 -3.34 0.01 0.00 0.05 0.00 0.00 34.50 31.11 2ppb s PRO 93 CO 0.18 0.36 -0.14 -0.48 0.05 0.00 0.00 177.00 176.96 2ppb s LEU 94 N -0.27 1.72 -0.24 -3.56 0.05 -1.20 -3.05 118.68 112.13 2ppb s LEU 94 Ca 0.36 -0.33 -0.03 0.00 0.05 0.00 0.00 54.13 54.17 2ppb s LEU 94 Cb -0.20 -0.90 0.10 0.00 -2.05 0.00 0.00 46.19 43.14 2ppb s LEU 94 CO 0.22 0.06 0.20 -0.72 -0.55 0.00 0.00 176.35 175.55 2ppb s TYR 95 N 0.58 -0.12 0.28 3.48 -0.85 -1.04 -3.22 117.35 116.46 2ppb s TYR 95 Ca -0.14 -0.20 -0.05 0.00 -0.52 0.00 0.00 57.07 56.15 2ppb s TYR 95 Cb -0.16 -0.55 -0.05 0.00 0.38 0.00 0.00 41.96 41.57 2ppb s TYR 95 CO 0.04 -0.72 0.56 0.00 -1.52 0.00 0.00 175.55 173.91 2ppb s ALA 96 N 2.26 3.61 0.30 9.51 0.00 -1.26 -3.97 121.76 132.21 2ppb s ALA 96 Ca 0.07 -0.52 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 2ppb s ALA 96 Cb -0.15 -2.32 -0.10 0.00 0.00 0.00 0.00 23.12 20.55 2ppb s ALA 96 CO -0.22 0.27 1.17 1.03 0.00 0.00 0.00 175.76 178.00 2ppb s ARG 97 N -3.48 4.52 0.00 0.00 0.52 -1.00 -4.40 118.95 115.12 2ppb s ARG 97 Ca 0.44 1.93 -0.04 0.00 -0.52 0.00 0.00 55.73 57.55 2ppb s ARG 97 Cb -0.11 -3.12 -0.01 0.00 0.52 0.00 0.00 34.95 32.24 2ppb s ARG 97 CO 0.29 0.06 0.07 -0.51 0.02 0.00 0.00 175.30 175.23 2ppb s LEU 98 N -1.62 1.83 -0.09 2.53 1.02 -1.22 -2.98 118.68 118.15 2ppb s LEU 98 Ca 0.47 -0.24 -0.04 0.00 0.02 0.00 0.00 54.13 54.34 2ppb s LEU 98 Cb -0.34 0.39 0.05 0.00 0.02 0.00 0.00 46.19 46.30 2ppb s LEU 98 CO 0.45 -0.27 0.21 0.00 0.02 0.00 0.00 176.35 176.75 2ppb s GLN 99 N -1.12 0.14 -0.18 1.70 -2.07 -1.10 -2.68 119.66 114.36 2ppb s GLN 99 Ca -0.12 0.52 -0.11 0.00 -1.82 0.00 0.00 55.36 53.82 2ppb s GLN 99 Cb -0.07 -0.15 -0.05 0.00 -1.09 0.00 0.00 33.01 31.65 2ppb s GLN 99 CO 0.00 -0.20 0.20 -1.17 -1.32 0.00 0.00 175.29 172.80 2ppb s LEU 100 N 1.53 4.24 0.24 2.60 2.96 -0.24 -2.02 118.68 127.98 2ppb s LEU 100 Ca -0.06 0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 54.17 2ppb s LEU 100 Cb -0.11 -2.21 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 2ppb s LEU 100 CO -0.07 0.16 0.49 -0.63 -1.32 0.00 0.00 176.35 174.97 2ppb s ILE 101 N 0.31 5.08 0.15 6.68 -1.09 0.20 -2.15 121.20 130.38 2ppb s ILE 101 Ca 0.12 -0.00 0.07 0.00 -2.23 0.00 0.00 60.65 58.61 2ppb s ILE 101 Cb -0.12 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 2ppb s ILE 101 CO 0.01 -0.20 -0.16 -1.00 -1.23 0.00 0.00 174.94 172.36 2ppb s HIS 102 N -1.94 1.63 -0.69 3.97 3.76 -1.08 -3.71 115.29 117.24 2ppb s HIS 102 Ca 0.43 -0.52 0.26 0.00 -0.15 0.00 0.00 55.06 55.07 2ppb s HIS 102 Cb -0.11 -0.82 0.82 0.00 1.11 0.00 0.00 32.58 33.58 2ppb s HIS 102 CO 0.28 0.25 1.77 1.17 -0.85 0.00 0.00 174.74 177.36 2ppb n LYS 103 N 0.28 0.26 -4.11 1.40 4.81 -1.26 -4.76 118.16 114.78 2ppb n LYS 103 Ca -0.13 0.25 -0.27 0.00 -0.87 0.00 0.00 58.31 57.28 2ppb n LYS 103 Cb 0.58 -1.83 -0.06 0.00 0.02 0.00 0.00 35.03 33.74 2ppb n LYS 103 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2ppb s ASP 104 N -4.55 5.29 -0.59 3.14 1.01 -1.26 -5.02 116.67 114.68 2ppb s ASP 104 Ca 0.10 -0.19 -0.32 0.00 0.71 0.00 0.00 52.55 52.85 2ppb s ASP 104 Cb 0.12 -1.32 -0.14 0.00 1.01 0.00 0.00 42.92 42.59 2ppb s ASP 104 CO 0.57 0.10 2.40 0.35 0.21 0.00 0.00 175.17 178.80 2ppb n THR 105 N -0.10 0.04 0.00 -1.27 -2.24 -1.26 -4.74 114.28 104.72 2ppb n THR 105 Ca -0.09 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2ppb n THR 105 Cb 0.54 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 2ppb n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ppb n GLY 106 N 6.47 3.35 2.53 3.38 0.00 -1.26 -5.08 105.19 114.57 2ppb n GLY 106 Ca 0.49 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 2ppb n GLY 106 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ppb s LEU 107 N 0.00 1.25 -0.07 0.99 1.43 -1.26 -2.64 118.68 118.38 2ppb s LEU 107 Ca 0.00 -2.08 -0.24 0.00 -1.03 0.00 0.00 54.13 50.78 2ppb s LEU 107 Cb 0.00 -0.52 -0.03 0.00 0.03 0.00 0.00 46.19 45.67 2ppb s LEU 107 CO 0.00 -0.33 0.75 -0.63 0.23 0.00 0.00 176.35 176.37 2ppb s ILE 108 N 1.16 5.01 -0.34 -0.59 1.09 -0.91 -4.87 121.20 121.74 2ppb s ILE 108 Ca 0.16 1.54 -0.04 0.00 -1.10 0.00 0.00 60.65 61.21 2ppb s ILE 108 Cb -0.22 -4.09 0.06 0.00 -1.06 0.00 0.00 42.46 37.16 2ppb s ILE 108 CO -0.07 0.22 0.10 -0.75 -0.10 0.00 0.00 174.94 174.34 2ppb s LYS 109 N 0.96 2.42 -0.66 2.79 2.20 -1.26 -1.08 119.74 125.11 2ppb s LYS 109 Ca 0.39 -1.36 -0.15 0.00 -0.36 0.00 0.00 55.97 54.50 2ppb s LYS 109 Cb -0.18 -3.40 0.17 0.00 -1.51 0.00 0.00 37.83 32.91 2ppb s LYS 109 CO 0.19 -0.75 0.61 -2.00 -0.36 0.00 0.00 175.35 173.04 2ppb s GLU 110 N 1.29 3.23 0.02 4.03 -6.30 -1.09 -4.98 118.70 114.90 2ppb s GLU 110 Ca -0.01 -2.06 -0.05 0.00 -2.50 0.00 0.00 54.97 50.36 2ppb s GLU 110 Cb -0.21 -4.33 -0.01 0.00 0.00 0.00 0.00 34.13 29.59 2ppb s GLU 110 CO -0.00 -1.30 0.97 -0.25 0.02 0.00 0.00 175.26 174.70 2ppb n ASP 111 N 4.64 -0.15 -4.54 -1.70 9.92 -1.26 -3.98 116.55 119.47 2ppb n ASP 111 Ca -0.01 1.01 -0.29 0.00 -0.53 0.00 0.00 54.79 54.96 2ppb n ASP 111 Cb 0.43 -0.41 -0.10 0.00 -0.64 0.00 0.00 41.12 40.40 2ppb n ASP 111 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2ppb s GLU 112 N -3.40 1.98 -0.30 -1.24 0.41 -1.26 -3.40 118.70 111.49 2ppb s GLU 112 Ca -0.02 -1.12 0.02 0.00 -0.41 0.00 0.00 54.97 53.44 2ppb s GLU 112 Cb 0.02 -2.21 0.16 0.00 -1.78 0.00 0.00 34.13 30.31 2ppb s GLU 112 CO 0.09 0.49 0.39 0.08 -0.49 0.00 0.00 175.26 175.82 2ppb s VAL 113 N -1.25 -0.58 -0.97 2.63 1.01 -1.26 -5.01 120.40 114.96 2ppb s VAL 113 Ca 0.20 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 2ppb s VAL 113 Cb -0.11 -0.94 0.06 0.00 0.00 0.00 0.00 36.38 35.39 2ppb s VAL 113 CO 0.12 -0.33 1.37 0.72 0.00 0.00 0.00 175.10 176.98 2ppb s PHE 114 N 2.41 2.60 -0.19 5.22 -0.12 -1.26 -4.44 117.98 122.20 2ppb s PHE 114 Ca 0.10 -0.84 -0.05 0.00 -0.05 0.00 0.00 56.93 56.09 2ppb s PHE 114 Cb -0.13 -4.62 -0.02 0.00 -0.63 0.00 0.00 43.02 37.62 2ppb s PHE 114 CO -0.28 -1.88 -0.00 -0.48 -0.05 0.00 0.00 175.22 172.53 2ppb s LEU 115 N 4.68 3.27 0.00 -1.99 2.34 -1.20 -4.85 118.68 120.93 2ppb s LEU 115 Ca 0.42 -0.19 0.00 0.00 0.06 0.00 0.00 54.13 54.43 2ppb s LEU 115 Cb -0.02 -1.82 0.00 0.00 -0.56 0.00 0.00 46.19 43.79 2ppb s LEU 115 CO -0.07 0.08 0.00 0.61 -1.06 0.00 0.00 176.35 175.91 2ppb n GLY 116 N 4.13 -2.60 3.22 -3.48 0.00 -1.26 -4.63 105.19 100.57 2ppb n GLY 116 Ca -0.17 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 2ppb n GLY 116 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ppb s HIS 117 N 0.00 3.41 -0.03 1.61 3.76 -1.26 -3.25 115.29 119.53 2ppb s HIS 117 Ca 0.00 -1.81 -0.10 0.00 -0.15 0.00 0.00 55.06 53.01 2ppb s HIS 117 Cb 0.00 -3.27 -0.05 0.00 1.11 0.00 0.00 32.58 30.37 2ppb s HIS 117 CO 0.00 -0.94 0.29 0.96 -0.85 0.00 0.00 174.74 174.20 2ppb s ILE 118 N 1.36 5.25 0.72 0.60 -5.25 -1.10 -4.83 121.20 117.95 2ppb s ILE 118 Ca 0.05 0.45 -0.15 0.00 -0.99 0.00 0.00 60.65 60.00 2ppb s ILE 118 Cb -0.25 -3.57 0.03 0.00 2.95 0.00 0.00 42.46 41.63 2ppb s ILE 118 CO -0.00 0.52 1.23 -2.84 -1.79 0.00 0.00 174.94 172.06 2ppb s PRO 119 N -1.29 2.16 0.46 0.37 0.02 -1.26 -0.13 135.00 135.33 2ppb s PRO 119 Ca 0.23 1.84 0.07 0.00 0.02 0.00 0.00 61.00 63.15 2ppb s PRO 119 Cb -0.14 -1.83 -0.00 0.00 0.02 0.00 0.00 34.50 32.55 2ppb s PRO 119 CO 0.11 -1.84 0.36 -1.17 -0.33 0.00 0.00 177.00 174.13 2ppb s LEU 120 N -5.04 3.08 -0.01 -5.54 0.20 -1.05 -4.68 118.68 105.64 2ppb s LEU 120 Ca 0.76 -1.00 0.01 0.00 0.69 0.00 0.00 54.13 54.60 2ppb s LEU 120 Cb -0.31 -1.61 -0.03 0.00 -0.43 0.00 0.00 46.19 43.80 2ppb s LEU 120 CO 0.45 -0.81 -0.02 -0.32 -0.29 0.00 0.00 176.35 175.36 2ppb s MET 121 N -4.15 2.76 0.63 1.98 -2.45 -1.26 -4.58 119.30 112.23 2ppb s MET 121 Ca 0.42 -0.60 -0.14 0.00 -1.25 0.00 0.00 55.69 54.11 2ppb s MET 121 Cb -0.01 -2.65 -0.02 0.00 1.25 0.00 0.00 34.83 33.40 2ppb s MET 121 CO 0.25 0.63 1.06 0.99 1.05 0.00 0.00 175.02 179.00 2ppb s THR 122 N -1.03 3.80 0.52 10.11 2.01 0.12 -4.91 115.64 126.25 2ppb s THR 122 Ca 0.18 0.78 0.25 0.00 0.31 0.00 0.00 61.69 63.22 2ppb s THR 122 Cb -0.11 -3.35 0.41 0.00 0.01 0.00 0.00 72.50 69.46 2ppb s THR 122 CO 0.08 -0.57 1.96 -0.33 -0.69 0.00 0.00 174.62 175.08 2ppb h GLU 123 N 0.11 0.05 -0.02 4.92 4.39 -1.99 -0.94 114.58 121.10 2ppb h GLU 123 Ca -0.46 -0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.03 2ppb h GLU 123 Cb 1.22 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2ppb h GLU 123 CO 0.57 0.03 -0.87 0.38 -1.16 0.00 0.00 179.01 177.96 2ppb h ASP 124 N 0.05 0.46 0.00 1.42 3.04 -2.01 -3.48 116.42 115.91 2ppb h ASP 124 Ca 0.31 -0.35 0.00 0.00 -3.24 0.00 0.00 57.03 53.74 2ppb h ASP 124 Cb 1.15 -0.14 0.00 0.00 -1.04 0.00 0.00 39.33 39.30 2ppb h ASP 124 CO -0.02 1.13 0.00 0.61 -2.04 0.00 0.00 179.24 178.92 2ppb n GLY 125 N 0.82 1.09 3.97 7.15 0.00 -0.36 -4.85 105.19 113.02 2ppb n GLY 125 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 2ppb n GLY 125 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ppb s SER 126 N -0.59 5.34 0.26 1.61 1.04 -1.26 -4.70 113.70 115.40 2ppb s SER 126 Ca 0.00 0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.46 2ppb s SER 126 Cb 0.00 -0.94 0.02 0.00 0.10 0.00 0.00 66.02 65.19 2ppb s SER 126 CO 0.00 -1.09 0.14 0.49 0.98 0.00 0.00 173.24 173.76 2ppb n PHE 127 N -2.31 -0.62 -3.44 5.02 3.01 0.15 0.11 117.46 119.39 2ppb n PHE 127 Ca 0.07 -1.16 -0.28 0.00 1.01 0.00 0.00 57.45 57.10 2ppb n PHE 127 Cb 0.59 -0.20 -0.11 0.00 -0.01 0.00 0.00 39.48 39.75 2ppb n PHE 127 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2ppb s ILE 128 N -1.48 0.11 0.00 4.37 1.01 -1.26 -1.69 121.20 122.26 2ppb s ILE 128 Ca 0.11 -1.75 0.00 0.00 0.00 0.00 0.00 60.65 59.01 2ppb s ILE 128 Cb -0.01 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.38 2ppb s ILE 128 CO 0.07 -0.98 0.07 -0.38 0.00 0.00 0.00 174.94 173.72 2ppb n ILE 129 N 3.91 0.00 -3.73 2.92 -0.00 -1.19 -2.37 119.36 118.89 2ppb n ILE 129 Ca 0.14 0.14 -0.30 0.00 -0.00 0.00 0.00 62.75 62.73 2ppb n ILE 129 Cb 0.39 -0.28 -0.15 0.00 -0.00 0.00 0.00 39.64 39.60 2ppb n ILE 129 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 2ppb s ASN 130 N -1.15 3.96 0.00 4.38 0.01 -1.26 -3.16 114.94 117.73 2ppb s ASN 130 Ca 0.00 -1.83 0.00 0.00 -0.71 0.00 0.00 52.86 50.32 2ppb s ASN 130 Cb 0.00 -0.90 0.00 0.00 0.41 0.00 0.00 41.25 40.76 2ppb s ASN 130 CO 0.00 -0.39 0.00 0.61 -1.51 0.00 0.00 177.10 175.81 2ppb n GLY 131 N 4.60 0.78 3.42 0.66 0.00 -1.21 -4.89 105.19 108.55 2ppb n GLY 131 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2ppb n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppb s ALA 132 N 0.00 2.57 0.30 4.61 0.00 -1.26 -4.72 121.76 123.26 2ppb s ALA 132 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 2ppb s ALA 132 Cb 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 23.12 22.03 2ppb s ALA 132 CO 0.00 0.47 1.58 -0.51 0.00 0.00 0.00 175.76 177.30 2ppb s ASP 133 N -0.40 6.37 0.28 0.00 -0.00 -1.26 -3.19 116.67 118.47 2ppb s ASP 133 Ca 0.04 2.96 0.04 0.00 -0.00 0.00 0.00 52.55 55.59 2ppb s ASP 133 Cb -0.12 -2.64 -0.06 0.00 -0.00 0.00 0.00 42.92 40.10 2ppb s ASP 133 CO 0.02 -0.91 0.01 -0.13 -0.00 0.00 0.00 175.17 174.16 2ppb s ARG 134 N -0.65 1.51 0.02 8.23 0.52 -0.68 -1.93 118.95 125.96 2ppb s ARG 134 Ca 0.62 -1.80 0.03 0.00 -0.52 0.00 0.00 55.73 54.06 2ppb s ARG 134 Cb -0.48 -0.82 -0.01 0.00 0.52 0.00 0.00 34.95 34.16 2ppb s ARG 134 CO 0.49 -0.11 -0.09 0.08 0.02 0.00 0.00 175.30 175.69 2ppb s VAL 135 N -3.29 0.72 -0.49 3.52 1.01 0.10 -0.67 120.40 121.29 2ppb s VAL 135 Ca 0.32 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 2ppb s VAL 135 Cb 0.07 -0.65 0.09 0.00 0.00 0.00 0.00 36.38 35.88 2ppb s VAL 135 CO 0.12 0.01 0.41 -0.63 0.00 0.00 0.00 175.10 175.02 2ppb s ILE 136 N -0.60 5.14 0.30 2.22 -1.09 -1.26 -1.41 121.20 124.50 2ppb s ILE 136 Ca -0.00 -1.22 -0.28 0.00 -2.23 0.00 0.00 60.65 56.92 2ppb s ILE 136 Cb -0.06 -4.14 -0.09 0.00 -1.58 0.00 0.00 42.46 36.59 2ppb s ILE 136 CO 0.00 -0.66 0.99 0.68 -1.23 0.00 0.00 174.94 174.72 2ppb s VAL 137 N 1.61 3.96 0.94 2.92 -7.23 -1.25 -4.62 120.40 116.73 2ppb s VAL 137 Ca 0.04 1.78 -0.12 0.00 -1.81 0.00 0.00 61.98 61.87 2ppb s VAL 137 Cb -0.26 -4.06 0.15 0.00 0.56 0.00 0.00 36.38 32.78 2ppb s VAL 137 CO 0.05 0.28 1.09 -0.44 -0.31 0.00 0.00 175.10 175.77 2ppb s SER 138 N -1.33 3.08 0.22 4.85 0.01 -1.26 -4.85 113.70 114.42 2ppb s SER 138 Ca 0.47 1.44 -0.00 0.00 1.31 0.00 0.00 55.95 59.17 2ppb s SER 138 Cb -0.24 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 2ppb s SER 138 CO 0.30 -2.88 0.16 -1.58 0.41 0.00 0.00 173.24 169.65 2ppb s GLN 139 N -4.90 1.28 0.04 12.44 0.74 -0.87 -2.12 119.66 126.27 2ppb s GLN 139 Ca 0.64 -1.67 0.05 0.00 0.05 0.00 0.00 55.36 54.44 2ppb s GLN 139 Cb -0.19 0.28 -0.02 0.00 1.10 0.00 0.00 33.01 34.18 2ppb s GLN 139 CO 0.58 -0.43 -0.15 0.96 -0.55 0.00 0.00 175.29 175.70 2ppb s ILE 140 N -4.07 1.16 0.33 -2.34 -5.25 -1.24 0.13 121.20 109.92 2ppb s ILE 140 Ca 0.39 -1.03 -0.16 0.00 -0.99 0.00 0.00 60.65 58.86 2ppb s ILE 140 Cb 0.06 -1.05 0.03 0.00 2.95 0.00 0.00 42.46 44.45 2ppb s ILE 140 CO 0.14 0.01 0.70 -1.38 -1.79 0.00 0.00 174.94 172.62 2ppb s HIS 141 N -0.87 0.14 -0.17 1.37 -3.43 -1.06 -4.46 115.29 106.81 2ppb s HIS 141 Ca 0.02 -0.67 -0.29 0.00 -0.80 0.00 0.00 55.06 53.32 2ppb s HIS 141 Cb -0.08 0.63 -0.05 0.00 -1.43 0.00 0.00 32.58 31.66 2ppb s HIS 141 CO 0.01 -1.36 1.88 1.03 -2.00 0.00 0.00 174.74 174.30 2ppb s ARG 142 N -3.09 3.65 -0.29 -0.38 0.52 -1.23 -2.49 118.95 115.63 2ppb s ARG 142 Ca 0.16 1.96 -0.33 0.00 -0.52 0.00 0.00 55.73 57.01 2ppb s ARG 142 Cb -0.04 -4.17 -0.09 0.00 0.52 0.00 0.00 34.95 31.16 2ppb s ARG 142 CO 0.11 -1.49 2.20 -1.13 0.02 0.00 0.00 175.30 175.00 2ppb n SER 143 N 9.31 2.58 -1.62 0.23 3.41 0.49 -4.59 113.62 123.44 2ppb n SER 143 Ca 0.22 0.34 -0.11 0.00 -0.26 0.00 0.00 58.87 59.07 2ppb n SER 143 Cb 0.44 -1.38 -0.07 0.00 -0.26 0.00 0.00 64.21 62.95 2ppb n SER 143 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2ppb n PRO 144 N 8.37 0.00 0.00 4.33 -0.02 -1.26 -4.77 135.00 141.66 2ppb n PRO 144 Ca 0.37 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2ppb n PRO 144 Cb 0.31 -0.45 0.00 0.00 -0.02 0.00 0.00 33.50 33.35 2ppb n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppb n GLY 145 N 2.15 4.66 2.79 -1.23 0.00 -0.66 -4.70 105.19 108.21 2ppb n GLY 145 Ca 0.24 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 2ppb n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 146 N -0.36 0.43 0.07 1.61 1.01 -1.26 0.35 120.40 122.25 2ppb s VAL 146 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.09 2ppb s VAL 146 Cb 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 2ppb s VAL 146 CO 0.00 0.26 -0.11 -0.31 0.00 0.00 0.00 175.10 174.94 2ppb s TYR 147 N 1.83 1.01 -0.31 5.22 1.51 -0.43 -4.89 117.35 121.28 2ppb s TYR 147 Ca 0.03 -0.51 -0.03 0.00 -1.01 0.00 0.00 57.07 55.55 2ppb s TYR 147 Cb -0.12 -0.57 0.05 0.00 -0.11 0.00 0.00 41.96 41.20 2ppb s TYR 147 CO -0.05 -0.00 0.04 -0.06 -1.11 0.00 0.00 175.55 174.37 2ppb s PHE 148 N -1.52 3.26 0.12 2.71 0.40 -1.26 -1.33 117.98 120.36 2ppb s PHE 148 Ca -0.03 -1.70 0.09 0.00 -0.60 0.00 0.00 56.93 54.69 2ppb s PHE 148 Cb -0.09 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.23 2ppb s PHE 148 CO 0.01 -0.78 -0.20 -0.08 0.70 0.00 0.00 175.22 174.87 2ppb s THR 149 N 1.31 2.69 0.47 0.64 -1.32 -0.86 -2.09 115.64 116.48 2ppb s THR 149 Ca -0.04 -1.57 -0.22 0.00 -1.21 0.00 0.00 61.69 58.65 2ppb s THR 149 Cb -0.20 -2.22 -0.10 0.00 -1.51 0.00 0.00 72.50 68.47 2ppb s THR 149 CO 0.00 0.10 0.83 -2.65 -2.21 0.00 0.00 174.62 170.69 2ppb n PRO 150 N 0.83 0.97 -2.13 7.08 -0.02 -1.26 -1.81 135.00 138.66 2ppb n PRO 150 Ca -0.16 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 2ppb n PRO 150 Cb 0.53 -1.89 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 2ppb n PRO 150 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2ppb s ASP 151 N -0.93 6.80 0.00 2.55 -1.08 -1.23 -4.70 116.67 118.08 2ppb s ASP 151 Ca 0.66 2.64 0.00 0.00 -0.52 0.00 0.00 52.55 55.33 2ppb s ASP 151 Cb -0.53 -2.64 0.00 0.00 -1.46 0.00 0.00 42.92 38.29 2ppb s ASP 151 CO 0.55 -0.53 0.00 -2.65 0.52 0.00 0.00 175.17 173.06 2ppb n PRO 152 N 1.11 0.00 -0.03 4.34 -0.02 -1.26 -4.47 135.00 134.67 2ppb n PRO 152 Ca 0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.47 2ppb n PRO 152 Cb 0.42 -0.24 -0.01 0.00 -0.02 0.00 0.00 33.50 33.65 2ppb n PRO 152 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ppb h ALA 153 N -2.78 -0.04 -1.74 3.55 0.00 -2.00 -3.45 119.26 112.80 2ppb h ALA 153 Ca 0.00 -0.05 -0.66 0.00 0.00 0.00 0.00 54.91 54.20 2ppb h ALA 153 Cb 0.00 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ppb h ALA 153 CO 0.00 -0.04 1.11 -2.13 0.00 0.00 0.00 179.25 178.18 2ppb n ARG 154 N -4.80 1.70 0.19 0.00 0.63 -1.26 -4.84 116.66 108.29 2ppb n ARG 154 Ca -0.01 0.60 0.14 0.00 -0.92 0.00 0.00 57.85 57.66 2ppb n ARG 154 Cb 0.06 -2.47 0.67 0.00 0.45 0.00 0.00 32.46 31.16 2ppb n ARG 154 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 2ppb h PRO 155 N 9.31 0.00 0.00 -0.14 0.11 -1.88 -3.42 132.00 135.98 2ppb h PRO 155 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2ppb h PRO 155 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2ppb h PRO 155 CO 0.96 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.16 2ppb n GLY 156 N -0.71 -0.50 3.88 -0.55 0.00 -1.26 -4.95 105.19 101.10 2ppb n GLY 156 Ca -0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 2ppb n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ppb s ARG 157 N 0.00 2.77 0.42 1.61 3.00 -1.26 -4.95 118.95 120.54 2ppb s ARG 157 Ca 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 55.73 54.48 2ppb s ARG 157 Cb 0.00 -2.52 -0.01 0.00 0.00 0.00 0.00 34.95 32.42 2ppb s ARG 157 CO 0.00 0.07 0.61 0.71 0.00 0.00 0.00 175.30 176.69 2ppb s TYR 158 N -2.30 3.19 0.19 -0.53 1.51 -1.26 -3.53 117.35 114.63 2ppb s TYR 158 Ca 0.42 0.11 0.11 0.00 -1.01 0.00 0.00 57.07 56.70 2ppb s TYR 158 Cb -0.06 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 2ppb s TYR 158 CO 0.27 -0.26 -0.23 0.96 -1.11 0.00 0.00 175.55 175.19 2ppb s ILE 159 N -2.45 2.26 0.21 2.71 -4.36 -0.75 -4.83 121.20 114.00 2ppb s ILE 159 Ca 0.47 -2.04 0.02 0.00 -0.26 0.00 0.00 60.65 58.84 2ppb s ILE 159 Cb -0.10 -2.08 -0.04 0.00 1.25 0.00 0.00 42.46 41.49 2ppb s ILE 159 CO 0.36 -0.17 0.37 0.00 0.24 0.00 0.00 174.94 175.74 2ppb s ALA 160 N -1.80 3.87 -0.10 2.27 0.00 -0.90 -2.02 121.76 123.09 2ppb s ALA 160 Ca 0.20 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 2ppb s ALA 160 Cb -0.07 -1.89 0.05 0.00 0.00 0.00 0.00 23.12 21.20 2ppb s ALA 160 CO 0.10 0.36 0.22 -1.54 0.00 0.00 0.00 175.76 174.90 2ppb s SER 161 N -3.49 -0.11 -0.34 0.00 1.04 -0.44 -1.45 113.70 108.90 2ppb s SER 161 Ca 0.36 0.48 -0.10 0.00 0.48 0.00 0.00 55.95 57.18 2ppb s SER 161 Cb -0.10 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.43 2ppb s SER 161 CO 0.30 -0.18 0.17 -0.63 0.98 0.00 0.00 173.24 173.88 2ppb s ILE 162 N 1.43 4.43 -0.33 -1.02 1.01 -0.43 -1.31 121.20 124.98 2ppb s ILE 162 Ca -0.07 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 2ppb s ILE 162 Cb -0.11 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.97 2ppb s ILE 162 CO -0.08 -0.11 0.15 -0.51 0.00 0.00 0.00 174.94 174.40 2ppb s ILE 163 N 1.55 4.44 -0.26 2.92 1.10 0.16 -2.71 121.20 128.39 2ppb s ILE 163 Ca 0.02 -0.65 -0.01 0.00 -0.51 0.00 0.00 60.65 59.51 2ppb s ILE 163 Cb -0.18 -3.35 0.04 0.00 0.15 0.00 0.00 42.46 39.11 2ppb s ILE 163 CO 0.06 -0.04 -0.05 -2.84 -2.11 0.00 0.00 174.94 169.96 2ppb s PRO 164 N 1.56 2.66 0.04 3.50 0.02 -1.26 -1.65 135.00 139.88 2ppb s PRO 164 Ca 0.03 -1.10 0.04 0.00 0.02 0.00 0.00 61.00 59.99 2ppb s PRO 164 Cb -0.18 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 2ppb s PRO 164 CO 0.06 -0.48 -0.03 -1.17 -0.33 0.00 0.00 177.00 175.05 2ppb s LEU 165 N 1.28 3.35 0.89 -5.54 2.96 -1.26 -4.65 118.68 115.71 2ppb s LEU 165 Ca -0.02 -0.14 -0.16 0.00 -0.22 0.00 0.00 54.13 53.58 2ppb s LEU 165 Cb -0.18 -2.00 -0.14 0.00 0.50 0.00 0.00 46.19 44.37 2ppb s LEU 165 CO -0.04 0.23 -0.71 -2.65 -1.32 0.00 0.00 176.35 171.87 2ppb n PRO 166 N 1.08 0.00 0.11 0.98 -0.02 -1.26 -4.91 135.00 130.98 2ppb n PRO 166 Ca -0.13 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.20 2ppb n PRO 166 Cb 0.52 -0.93 -0.08 0.00 -0.02 0.00 0.00 33.50 33.00 2ppb n PRO 166 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2ppb h LYS 167 N -0.86 -0.64 -6.43 -0.52 1.57 -1.97 -3.36 116.57 104.35 2ppb h LYS 167 Ca -0.41 0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 57.89 2ppb h LYS 167 Cb 1.21 0.15 0.02 0.00 0.08 0.00 0.00 32.23 33.69 2ppb h LYS 167 CO 0.22 -0.43 1.07 1.03 -0.57 0.00 0.00 179.45 180.77 2ppb s ARG 168 N -5.89 4.17 0.00 3.15 0.52 -1.26 -4.63 118.95 115.02 2ppb s ARG 168 Ca -0.16 2.43 0.00 0.00 -0.52 0.00 0.00 55.73 57.47 2ppb s ARG 168 Cb 0.07 -3.71 0.00 0.00 0.52 0.00 0.00 34.95 31.83 2ppb s ARG 168 CO 0.63 -0.80 0.00 0.41 0.02 0.00 0.00 175.30 175.55 2ppb n GLY 169 N 4.15 2.84 0.88 -3.53 0.00 -1.26 -4.76 105.19 103.51 2ppb n GLY 169 Ca 0.17 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 2ppb n GLY 169 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ppb n PRO 170 N 0.00 0.00 -3.44 1.61 -0.02 -1.26 -4.70 135.00 127.19 2ppb n PRO 170 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.25 2ppb n PRO 170 Cb 0.00 -0.29 -0.11 0.00 -0.02 0.00 0.00 33.50 33.08 2ppb n PRO 170 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 2ppb s TRP 171 N -0.58 0.07 0.37 6.00 -0.11 -1.23 -4.01 118.94 119.45 2ppb s TRP 171 Ca 0.11 -0.87 -0.05 0.00 1.22 0.00 0.00 56.10 56.51 2ppb s TRP 171 Cb -0.02 -0.67 -0.05 0.00 -1.50 0.00 0.00 33.47 31.23 2ppb s TRP 171 CO 0.22 -0.89 0.66 0.42 -4.62 0.00 0.00 176.95 172.74 2ppb s ILE 172 N 1.75 4.96 -0.16 5.86 1.09 -1.10 -4.34 121.20 129.27 2ppb s ILE 172 Ca 0.13 0.11 -0.11 0.00 -1.10 0.00 0.00 60.65 59.69 2ppb s ILE 172 Cb -0.17 -3.79 0.05 0.00 -1.06 0.00 0.00 42.46 37.49 2ppb s ILE 172 CO -0.19 -0.54 0.39 1.51 -0.10 0.00 0.00 174.94 176.02 2ppb s ASP 173 N -3.55 -0.46 -0.32 3.58 1.47 -1.14 -1.31 116.67 114.93 2ppb s ASP 173 Ca 0.46 0.83 -0.02 0.00 1.18 0.00 0.00 52.55 54.99 2ppb s ASP 173 Cb -0.10 0.76 0.06 0.00 -0.34 0.00 0.00 42.92 43.30 2ppb s ASP 173 CO 0.35 -0.17 0.05 -0.76 0.68 0.00 0.00 175.17 175.32 2ppb s LEU 174 N 0.92 4.20 -0.06 2.11 1.02 -0.53 -2.05 118.68 124.29 2ppb s LEU 174 Ca -0.06 -1.41 0.04 0.00 0.02 0.00 0.00 54.13 52.72 2ppb s LEU 174 Cb -0.06 -1.75 0.00 0.00 0.02 0.00 0.00 46.19 44.40 2ppb s LEU 174 CO -0.07 -0.32 -0.17 -0.70 0.02 0.00 0.00 176.35 175.10 2ppb s GLU 175 N 1.24 2.06 -0.21 1.70 2.12 0.15 -2.11 118.70 123.66 2ppb s GLU 175 Ca -0.02 -0.62 -0.03 0.00 0.36 0.00 0.00 54.97 54.66 2ppb s GLU 175 Cb -0.20 -1.69 -0.01 0.00 0.26 0.00 0.00 34.13 32.49 2ppb s GLU 175 CO -0.01 0.17 -0.07 0.14 -0.54 0.00 0.00 175.26 174.94 2ppb s VAL 176 N 0.29 3.17 -0.63 3.70 -7.23 -1.26 0.26 120.40 118.71 2ppb s VAL 176 Ca -0.10 -0.57 0.05 0.00 -1.81 0.00 0.00 61.98 59.55 2ppb s VAL 176 Cb -0.14 -2.42 0.19 0.00 0.56 0.00 0.00 36.38 34.57 2ppb s VAL 176 CO 0.04 0.45 0.54 -0.62 -0.31 0.00 0.00 175.10 175.20 2ppb n GLU 177 N 4.63 1.68 -0.29 4.82 4.71 0.54 -5.00 120.64 131.74 2ppb n GLU 177 Ca -0.19 -4.25 0.22 0.00 -0.01 0.00 0.00 57.16 52.93 2ppb n GLU 177 Cb 0.51 -2.11 0.33 0.00 -1.01 0.00 0.00 31.44 29.16 2ppb n GLU 177 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2ppb n PRO 178 N 1.78 -0.00 0.29 3.49 -0.02 -1.22 -2.37 135.00 136.94 2ppb n PRO 178 Ca 0.24 0.44 0.14 0.00 -2.02 0.00 0.00 63.50 62.30 2ppb n PRO 178 Cb 0.40 -1.02 0.73 0.00 -0.02 0.00 0.00 33.50 33.59 2ppb n PRO 178 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2ppb h ASN 179 N 0.00 0.00 0.00 2.55 2.35 -2.06 -3.39 115.58 115.03 2ppb h ASN 179 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 2ppb h ASN 179 Cb 1.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.90 2ppb h ASN 179 CO -0.01 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.38 2ppb n GLY 180 N -1.23 0.00 3.16 2.83 0.00 -1.23 -5.18 105.19 103.55 2ppb n GLY 180 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2ppb n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 181 N 0.00 0.06 0.15 1.61 1.01 -1.00 -5.07 120.40 117.16 2ppb s VAL 181 Ca 0.00 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 61.60 2ppb s VAL 181 Cb 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2ppb s VAL 181 CO 0.00 -0.27 -0.22 -0.69 0.00 0.00 0.00 175.10 173.92 2ppb s VAL 182 N -1.11 2.51 -0.10 2.92 1.01 -1.26 -0.34 120.40 124.03 2ppb s VAL 182 Ca -0.12 -1.76 -0.02 0.00 0.00 0.00 0.00 61.98 60.08 2ppb s VAL 182 Cb -0.06 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.20 2ppb s VAL 182 CO 0.02 0.02 0.00 -0.94 0.00 0.00 0.00 175.10 174.21 2ppb s SER 183 N -2.32 1.92 -0.23 3.32 1.04 0.74 -4.67 113.70 113.51 2ppb s SER 183 Ca 0.18 -0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.36 2ppb s SER 183 Cb -0.09 -0.50 0.04 0.00 0.10 0.00 0.00 66.02 65.56 2ppb s SER 183 CO 0.09 -0.21 -0.13 -0.32 0.98 0.00 0.00 173.24 173.65 2ppb s MET 184 N 1.93 2.62 -0.16 4.02 1.75 -1.25 0.34 119.30 128.55 2ppb s MET 184 Ca 0.04 -1.09 -0.00 0.00 -1.25 0.00 0.00 55.69 53.38 2ppb s MET 184 Cb -0.13 -2.80 -0.00 0.00 2.84 0.00 0.00 34.83 34.73 2ppb s MET 184 CO -0.06 -0.41 -0.15 0.15 -0.65 0.00 0.00 175.02 173.90 2ppb s LYS 185 N 1.21 3.21 0.00 4.11 1.02 -0.87 -2.63 119.74 125.79 2ppb s LYS 185 Ca -0.02 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.22 2ppb s LYS 185 Cb -0.17 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 2ppb s LYS 185 CO -0.08 -0.02 0.00 1.33 -0.92 0.00 0.00 175.35 175.66 2ppb n VAL 186 N 4.17 0.00 0.03 3.17 0.24 -1.26 -2.91 118.33 121.78 2ppb n VAL 186 Ca -0.19 0.14 -0.19 0.00 -2.04 0.00 0.00 64.34 62.06 2ppb n VAL 186 Cb 0.51 -0.70 -0.14 0.00 -1.47 0.00 0.00 33.84 32.04 2ppb n VAL 186 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2ppb h ASN 187 N 0.00 0.40 0.00 -1.34 -0.73 -1.96 -3.27 115.58 108.69 2ppb h ASN 187 Ca 0.00 -0.74 0.00 0.00 1.87 0.00 0.00 56.30 57.43 2ppb h ASN 187 Cb 0.00 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.46 2ppb h ASN 187 CO 0.00 1.64 0.00 0.29 -0.37 0.00 0.00 177.43 178.99 2ppb n LYS 188 N -3.44 0.00 -1.69 6.67 5.02 -1.26 -5.04 118.16 118.42 2ppb n LYS 188 Ca -0.25 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.60 2ppb n LYS 188 Cb 1.05 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 36.03 2ppb n LYS 188 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2ppb n ARG 189 N -1.07 2.57 -2.02 1.97 3.00 -1.26 -4.64 116.66 115.22 2ppb n ARG 189 Ca 0.00 0.94 -0.36 0.00 -0.00 0.00 0.00 57.85 58.42 2ppb n ARG 189 Cb 0.00 -2.80 0.03 0.00 0.00 0.00 0.00 32.46 29.69 2ppb n ARG 189 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2ppb s LYS 190 N 2.56 3.04 0.16 -0.14 1.02 -1.26 -4.55 119.74 120.57 2ppb s LYS 190 Ca 0.83 1.85 -0.01 0.00 0.02 0.00 0.00 55.97 58.66 2ppb s LYS 190 Cb -0.55 -1.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 2ppb s LYS 190 CO 0.40 -1.16 0.09 -0.59 -0.92 0.00 0.00 175.35 173.16 2ppb s PHE 191 N -1.57 1.00 0.01 3.18 -0.71 -1.08 -4.89 117.98 113.93 2ppb s PHE 191 Ca 0.76 -1.30 -0.33 0.00 -1.04 0.00 0.00 56.93 55.03 2ppb s PHE 191 Cb -0.31 -0.52 -0.11 0.00 -1.21 0.00 0.00 43.02 40.87 2ppb s PHE 191 CO 0.34 -0.57 1.86 -2.30 -1.34 0.00 0.00 175.22 173.21 2ppb n PRO 192 N -0.18 2.47 0.28 1.99 -0.02 -1.26 -3.99 135.00 134.29 2ppb n PRO 192 Ca -0.02 0.90 0.19 0.00 -2.02 0.00 0.00 63.50 62.55 2ppb n PRO 192 Cb 0.65 -2.78 0.90 0.00 -0.02 0.00 0.00 33.50 32.25 2ppb n PRO 192 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2ppb h LEU 193 N 9.06 0.00 0.19 2.45 4.07 -1.94 -2.68 115.31 126.46 2ppb h LEU 193 Ca -0.48 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.14 2ppb h LEU 193 Cb 1.25 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.00 2ppb h LEU 193 CO 0.94 0.00 -1.68 0.58 -1.08 0.00 0.00 178.44 177.20 2ppb h VAL 194 N 0.00 1.02 -0.88 1.22 2.07 -1.87 -3.23 116.25 114.58 2ppb h VAL 194 Ca 0.00 -2.59 0.23 0.00 0.82 0.00 0.00 66.70 65.16 2ppb h VAL 194 Cb 0.21 2.81 -0.05 0.00 -1.52 0.00 0.00 31.29 32.74 2ppb h VAL 194 CO 0.00 0.85 0.61 0.25 0.02 0.00 0.00 177.57 179.29 2ppb h LEU 195 N 0.11 0.20 0.14 2.57 5.85 -1.84 0.17 115.31 122.50 2ppb h LEU 195 Ca -0.32 0.02 -0.25 0.00 0.84 0.00 0.00 57.88 58.18 2ppb h LEU 195 Cb 2.10 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 43.13 2ppb h LEU 195 CO 0.19 0.07 -1.20 0.25 -0.34 0.00 0.00 178.44 177.42 2ppb h LEU 196 N 0.20 0.45 -1.06 2.25 6.46 -1.68 -3.14 115.31 118.79 2ppb h LEU 196 Ca 0.44 -0.90 0.01 0.00 -0.12 0.00 0.00 57.88 57.32 2ppb h LEU 196 Cb 1.42 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 41.15 2ppb h LEU 196 CO -0.09 1.54 0.64 -0.07 -0.62 0.00 0.00 178.44 179.84 2ppb h LEU 197 N -0.29 1.10 -1.45 2.25 3.38 -1.27 -1.18 115.31 117.85 2ppb h LEU 197 Ca -0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2ppb h LEU 197 Cb 1.75 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 2ppb h LEU 197 CO 0.11 0.79 0.20 0.03 0.09 0.00 0.00 178.44 179.67 2ppb h ARG 198 N 1.30 0.58 -0.45 1.13 3.08 -0.70 0.17 114.38 119.49 2ppb h ARG 198 Ca 0.36 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 2ppb h ARG 198 Cb -0.14 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 2ppb h ARG 198 CO -0.08 0.45 0.20 0.28 -1.07 0.00 0.00 179.97 179.75 2ppb h VAL 199 N 0.58 1.19 0.00 2.04 2.07 -1.18 -2.68 116.25 118.28 2ppb h VAL 199 Ca 0.15 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 2ppb h VAL 199 Cb 0.06 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2ppb h VAL 199 CO -0.02 0.21 -0.35 -0.07 0.02 0.00 0.00 177.57 177.36 2ppb h LEU 200 N 0.59 0.00 0.00 2.57 3.38 -0.98 -3.45 115.31 117.42 2ppb h LEU 200 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2ppb h LEU 200 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2ppb h LEU 200 CO -0.02 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.48 2ppb n GLY 201 N 0.72 0.24 3.61 0.83 0.00 -0.25 -4.66 105.19 105.68 2ppb n GLY 201 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2ppb n GLY 201 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ppb s TYR 202 N -0.47 2.76 0.35 1.61 2.02 0.45 -4.93 117.35 119.14 2ppb s TYR 202 Ca 0.00 0.78 -0.09 0.00 -0.37 0.00 0.00 57.07 57.39 2ppb s TYR 202 Cb 0.00 -4.28 -0.06 0.00 -0.40 0.00 0.00 41.96 37.22 2ppb s TYR 202 CO 0.00 -1.40 0.68 -0.51 -1.57 0.00 0.00 175.55 172.76 2ppb s ASP 203 N 2.70 6.53 0.18 2.29 1.11 -1.26 -3.29 116.67 124.93 2ppb s ASP 203 Ca 0.51 1.00 -0.23 0.00 0.18 0.00 0.00 52.55 54.01 2ppb s ASP 203 Cb -0.10 -2.26 0.08 0.00 1.07 0.00 0.00 42.92 41.71 2ppb s ASP 203 CO 0.29 -0.30 1.58 1.56 1.18 0.00 0.00 175.17 179.48 2ppb h GLN 204 N 1.57 -0.19 0.62 8.23 1.08 -1.95 -0.87 115.11 123.61 2ppb h GLN 204 Ca -0.47 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 56.71 2ppb h GLN 204 Cb 1.19 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.65 2ppb h GLN 204 CO 0.65 -0.12 -0.42 1.05 -0.95 0.00 0.00 178.83 179.04 2ppb h GLU 205 N -0.19 -0.95 -0.28 1.46 4.11 -1.99 -0.76 114.58 115.98 2ppb h GLU 205 Ca 0.21 0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.70 2ppb h GLU 205 Cb 0.56 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2ppb h GLU 205 CO -0.69 -0.63 0.17 0.00 0.07 0.00 0.00 179.01 177.92 2ppb h THR 206 N -0.99 1.10 -0.25 -1.06 1.03 -1.95 -2.43 112.91 108.35 2ppb h THR 206 Ca -0.08 -0.24 0.06 0.00 -0.01 0.00 0.00 66.41 66.14 2ppb h THR 206 Cb 0.80 0.76 -0.07 0.00 -1.07 0.00 0.00 68.15 68.56 2ppb h THR 206 CO 0.06 0.10 -0.28 0.25 -0.01 0.00 0.00 175.52 175.64 2ppb h LEU 207 N 0.35 -0.91 0.20 0.00 6.46 -1.13 -1.92 115.31 118.35 2ppb h LEU 207 Ca 0.10 0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 2ppb h LEU 207 Cb 0.01 0.42 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2ppb h LEU 207 CO -0.02 -0.31 -0.10 0.00 -0.62 0.00 0.00 178.44 177.39 2ppb h ALA 208 N 0.69 -0.27 0.00 1.25 0.00 -1.03 -1.88 119.26 118.02 2ppb h ALA 208 Ca 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2ppb h ALA 208 Cb 0.50 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2ppb h ALA 208 CO -0.42 -0.61 -0.19 0.00 0.00 0.00 0.00 179.25 178.04 2ppb h ARG 209 N -0.36 0.00 0.05 0.00 -0.00 -1.31 0.97 114.38 113.74 2ppb h ARG 209 Ca -0.03 0.00 -0.35 0.00 -0.50 0.00 0.00 59.98 59.10 2ppb h ARG 209 Cb 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.20 2ppb h ARG 209 CO 0.05 0.19 -2.09 -1.91 0.00 0.00 0.00 179.97 176.21 2ppb n GLU 210 N -3.34 0.70 0.04 0.04 2.13 -0.74 -3.03 120.64 116.44 2ppb n GLU 210 Ca 0.00 0.21 -0.04 0.00 0.66 0.00 0.00 57.16 57.99 2ppb n GLU 210 Cb 0.42 -1.66 -0.09 0.00 0.27 0.00 0.00 31.44 30.37 2ppb n GLU 210 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2ppb h LEU 211 N 0.03 0.00 -3.16 4.31 5.85 -1.39 -3.37 115.31 117.57 2ppb h LEU 211 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2ppb h LEU 211 Cb 2.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.06 2ppb h LEU 211 CO 0.04 0.81 0.00 0.61 -0.34 0.00 0.00 178.44 179.56 2ppb n GLY 212 N 1.40 4.08 0.35 3.75 0.00 0.33 -4.48 105.19 110.63 2ppb n GLY 212 Ca -0.07 -0.98 0.01 0.00 0.00 0.00 0.00 46.02 44.99 2ppb n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppb h ALA 213 N 1.39 1.49 0.01 4.61 0.00 -1.66 -2.40 119.26 122.70 2ppb h ALA 213 Ca 0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 2ppb h ALA 213 Cb 1.26 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2ppb h ALA 213 CO 0.15 0.46 -1.17 0.10 0.00 0.00 0.00 179.25 178.78 2ppb h TYR 214 N 1.01 0.02 -4.89 0.00 -0.00 -1.88 -3.48 116.97 107.75 2ppb h TYR 214 Ca 0.30 -0.02 -0.46 0.00 0.00 0.00 0.00 58.73 58.55 2ppb h TYR 214 Cb -0.04 -0.00 -0.08 0.00 0.00 0.00 0.00 36.73 36.61 2ppb h TYR 214 CO -0.00 1.02 -0.31 0.41 -0.00 0.00 0.00 178.16 179.27 2ppb n GLY 215 N 1.41 3.54 0.00 0.10 0.00 -0.90 -5.08 105.19 104.26 2ppb n GLY 215 Ca -0.04 -2.31 0.01 0.00 0.00 0.00 0.00 46.02 43.68 2ppb n GLY 215 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ppb n GLU 216 N -1.02 0.34 0.15 1.61 0.00 -1.26 -4.66 120.64 115.79 2ppb n GLU 216 Ca -0.12 -0.02 0.08 0.00 0.00 0.00 0.00 57.16 57.09 2ppb n GLU 216 Cb 0.46 -1.04 0.41 0.00 0.00 0.00 0.00 31.44 31.27 2ppb n GLU 216 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2ppb n LEU 217 N -1.57 0.39 -0.15 -1.84 4.77 -1.26 -2.03 117.00 115.32 2ppb n LEU 217 Ca -0.00 0.62 0.22 0.00 -0.03 0.00 0.00 56.01 56.81 2ppb n LEU 217 Cb 0.07 -0.62 0.62 0.00 -2.33 0.00 0.00 43.42 41.16 2ppb n LEU 217 CO 0.05 -0.75 1.22 0.58 -1.33 0.00 0.00 177.39 177.16 2ppb h VAL 218 N 0.00 0.67 0.00 4.08 2.07 -1.92 -1.64 116.25 119.51 2ppb h VAL 218 Ca 0.00 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2ppb h VAL 218 Cb 0.34 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2ppb h VAL 218 CO 0.00 0.03 -0.12 1.56 0.02 0.00 0.00 177.57 179.06 2ppb h GLN 219 N 0.18 0.00 0.00 1.57 4.20 -1.80 -1.00 115.11 118.26 2ppb h GLN 219 Ca 0.39 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.05 2ppb h GLN 219 Cb 1.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 2ppb h GLN 219 CO -0.07 0.12 -0.20 0.78 -0.67 0.00 0.00 178.83 178.79 2ppb h GLY 220 N 0.73 0.00 0.44 3.46 0.00 -1.56 -3.16 103.07 102.98 2ppb h GLY 220 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 2ppb h GLY 220 CO 0.02 0.00 -0.21 0.17 0.00 0.00 0.00 176.54 176.52 2ppb h LEU 221 N 0.00 0.20 -0.06 3.11 8.10 -1.30 -3.27 115.31 122.08 2ppb h LEU 221 Ca -0.00 -0.75 0.00 0.00 0.11 0.00 0.00 57.88 57.24 2ppb h LEU 221 Cb 0.82 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.98 2ppb h LEU 221 CO 0.03 0.92 0.00 1.15 -4.11 0.00 0.00 178.44 176.43 2ppb n MET 222 N -4.55 1.04 0.00 0.17 0.00 -1.13 -4.50 117.12 108.15 2ppb n MET 222 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.54 2ppb n MET 222 Cb 0.47 -1.38 0.00 0.00 0.00 0.00 0.00 33.22 32.31 2ppb n MET 222 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2ppb n ASP 223 N -0.81 0.00 -3.97 3.17 10.43 -1.20 -3.51 116.55 120.66 2ppb n ASP 223 Ca 0.18 0.26 -0.37 0.00 2.57 0.00 0.00 54.79 57.43 2ppb n ASP 223 Cb 0.10 0.00 -0.07 0.00 1.84 0.00 0.00 41.12 42.98 2ppb n ASP 223 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2ppb n GLU 224 N -0.45 1.15 0.13 -1.24 -0.58 -1.26 -4.70 120.64 113.69 2ppb n GLU 224 Ca 0.00 -1.88 0.05 0.00 -0.42 0.00 0.00 57.16 54.91 2ppb n GLU 224 Cb 0.00 -3.18 0.49 0.00 -0.57 0.00 0.00 31.44 28.18 2ppb n GLU 224 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2ppb h SER 225 N 9.12 0.22 -0.53 1.62 0.02 -1.92 -3.10 113.55 118.99 2ppb h SER 225 Ca 0.30 -0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.33 2ppb h SER 225 Cb 0.78 -0.06 -0.09 0.00 0.14 0.00 0.00 62.40 63.17 2ppb h SER 225 CO 1.68 0.24 -0.03 1.62 -1.14 0.00 0.00 176.83 179.19 2ppb h VAL 226 N 0.25 0.55 0.00 2.27 3.04 -1.93 -1.60 116.25 118.84 2ppb h VAL 226 Ca 0.06 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 2ppb h VAL 226 Cb 0.11 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 29.84 2ppb h VAL 226 CO -0.00 0.02 -0.50 -0.26 -1.01 0.00 0.00 177.57 175.81 2ppb h PHE 227 N 0.08 0.00 0.00 3.17 0.05 -1.95 -3.32 116.94 114.98 2ppb h PHE 227 Ca 0.27 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.06 2ppb h PHE 227 Cb 0.41 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.36 2ppb h PHE 227 CO -0.36 0.00 0.00 0.00 -0.18 0.00 0.00 178.31 177.77 2ppb n ALA 228 N -2.01 2.45 0.76 2.45 0.00 -0.64 -3.39 120.51 120.13 2ppb n ALA 228 Ca 0.03 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2ppb n ALA 228 Cb 0.50 -1.48 0.27 0.00 0.00 0.00 0.00 19.45 18.73 2ppb n ALA 228 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2ppb n MET 229 N -1.31 2.20 -3.73 0.00 2.81 -0.99 -4.77 117.12 111.33 2ppb n MET 229 Ca 0.13 -1.79 -0.29 0.00 -1.81 0.00 0.00 57.70 53.94 2ppb n MET 229 Cb 0.25 -1.47 -0.16 0.00 -0.71 0.00 0.00 33.22 31.14 2ppb n MET 229 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 2ppb s ARG 230 N -1.68 0.70 0.00 0.03 3.03 -1.22 -5.11 118.95 114.69 2ppb s ARG 230 Ca 0.35 -0.77 0.00 0.00 2.03 0.00 0.00 55.73 57.34 2ppb s ARG 230 Cb 0.21 -2.00 0.00 0.00 -1.03 0.00 0.00 34.95 32.13 2ppb s ARG 230 CO 0.30 -0.83 0.00 -2.30 -1.13 0.00 0.00 175.30 171.33 2ppb n PRO 231 N 4.95 0.00 -0.43 3.89 -0.02 -1.26 -2.77 135.00 139.35 2ppb n PRO 231 Ca -0.06 0.00 0.40 0.00 -2.02 0.00 0.00 63.50 61.83 2ppb n PRO 231 Cb 0.44 0.00 0.72 0.00 -0.02 0.00 0.00 33.50 34.64 2ppb n PRO 231 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2ppb h GLU 232 N 0.00 0.00 -0.02 -0.52 4.81 -1.87 0.98 114.58 117.96 2ppb h GLU 232 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 2ppb h GLU 232 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2ppb h GLU 232 CO 0.00 0.00 -0.55 1.49 -0.73 0.00 0.00 179.01 179.22 2ppb h GLU 233 N 0.00 0.06 0.00 1.92 4.22 -1.99 -2.07 114.58 116.72 2ppb h GLU 233 Ca 0.68 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 60.07 2ppb h GLU 233 Cb 2.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 32.20 2ppb h GLU 233 CO -0.01 0.60 -0.03 0.00 -2.18 0.00 0.00 179.01 177.38 2ppb h ALA 234 N 1.40 1.51 -0.37 2.92 0.00 0.12 0.17 119.26 125.00 2ppb h ALA 234 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2ppb h ALA 234 Cb 0.98 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2ppb h ALA 234 CO 0.07 0.04 0.12 -0.07 0.00 0.00 0.00 179.25 179.42 2ppb h LEU 235 N 0.00 0.53 -0.50 0.00 3.38 -1.40 -1.09 115.31 116.24 2ppb h LEU 235 Ca -0.00 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.60 2ppb h LEU 235 Cb 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2ppb h LEU 235 CO 0.00 0.59 -0.70 0.40 0.09 0.00 0.00 178.44 178.83 2ppb h ILE 236 N 0.45 1.41 -0.36 1.22 2.04 -1.20 -2.92 117.51 118.15 2ppb h ILE 236 Ca 0.12 -2.16 -0.10 0.00 1.00 0.00 0.00 64.86 63.72 2ppb h ILE 236 Cb 0.24 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 2ppb h ILE 236 CO -0.00 0.64 -0.19 -0.09 0.00 0.00 0.00 178.15 178.51 2ppb h ARG 237 N 0.19 0.69 -0.04 2.37 9.65 -0.47 -1.61 114.38 125.17 2ppb h ARG 237 Ca -0.02 -0.25 -0.23 0.00 -1.10 0.00 0.00 59.98 58.37 2ppb h ARG 237 Cb 1.25 -0.05 0.01 0.00 -1.39 0.00 0.00 29.97 29.79 2ppb h ARG 237 CO 0.11 0.83 -0.92 1.25 2.80 0.00 0.00 179.97 184.04 2ppb h LEU 238 N 0.61 0.73 -1.45 3.80 6.46 -1.25 -2.24 115.31 121.97 2ppb h LEU 238 Ca 0.09 -0.55 0.18 0.00 -0.12 0.00 0.00 57.88 57.49 2ppb h LEU 238 Cb 0.66 -0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 40.30 2ppb h LEU 238 CO 0.05 1.34 0.58 0.15 -0.62 0.00 0.00 178.44 179.94 2ppb h PHE 239 N 0.35 0.62 -0.33 1.25 3.04 -1.28 0.26 116.94 120.85 2ppb h PHE 239 Ca -0.09 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.71 2ppb h PHE 239 Cb 1.55 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 39.87 2ppb h PHE 239 CO 0.08 0.18 -0.48 1.15 -2.02 0.00 0.00 178.31 177.22 2ppb h THR 240 N 0.48 1.27 -0.82 4.41 2.02 -1.17 -3.17 112.91 115.94 2ppb h THR 240 Ca 0.46 -1.66 0.06 0.00 0.77 0.00 0.00 66.41 66.04 2ppb h THR 240 Cb 1.03 1.52 -0.06 0.00 -1.74 0.00 0.00 68.15 68.90 2ppb h THR 240 CO -0.19 0.55 0.50 0.25 0.37 0.00 0.00 175.52 177.00 2ppb h LEU 241 N 0.70 0.78 -9.89 2.58 6.46 0.11 -3.42 115.31 112.64 2ppb h LEU 241 Ca 0.03 0.02 -0.45 0.00 -0.12 0.00 0.00 57.88 57.36 2ppb h LEU 241 Cb 1.07 -0.15 0.23 0.00 -0.73 0.00 0.00 40.66 41.09 2ppb h LEU 241 CO 0.11 0.51 -0.57 0.18 -0.62 0.00 0.00 178.44 178.04 2ppb n LEU 242 N -4.65 -1.93 -3.58 2.25 4.77 -0.77 -5.00 117.00 108.09 2ppb n LEU 242 Ca 0.11 -0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 55.80 2ppb n LEU 242 Cb 0.17 -1.10 -0.13 0.00 -2.33 0.00 0.00 43.42 40.03 2ppb n LEU 242 CO 0.31 -3.21 -0.16 0.00 -1.33 0.00 0.00 177.39 173.00 2ppb s ARG 243 N -3.90 0.17 0.00 3.23 1.70 -1.26 -4.84 118.95 114.06 2ppb s ARG 243 Ca 0.62 0.53 0.00 0.00 -0.47 0.00 0.00 55.73 56.41 2ppb s ARG 243 Cb -0.19 -0.50 0.00 0.00 -0.57 0.00 0.00 34.95 33.69 2ppb s ARG 243 CO 0.66 -0.45 0.00 -0.35 -1.08 0.00 0.00 175.30 174.08 2ppb n PRO 244 N 5.34 0.00 0.00 3.89 -0.05 -1.26 -5.06 135.00 137.86 2ppb n PRO 244 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.39 2ppb n PRO 244 Cb 0.50 -0.11 0.00 0.00 -0.05 0.00 0.00 33.50 33.83 2ppb n PRO 244 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2ppb n GLY 245 N -0.05 0.79 3.96 0.55 0.00 -1.26 -5.13 105.19 104.05 2ppb n GLY 245 Ca 0.00 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 2ppb n GLY 245 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ppb s ASP 246 N -1.58 6.19 0.15 1.61 1.01 -1.26 -5.05 116.67 117.74 2ppb s ASP 246 Ca 0.00 0.21 -0.31 0.00 0.71 0.00 0.00 52.55 53.16 2ppb s ASP 246 Cb 0.00 -1.79 -0.11 0.00 1.01 0.00 0.00 42.92 42.03 2ppb s ASP 246 CO 0.00 -0.30 1.77 -2.84 0.21 0.00 0.00 175.17 174.00 2ppb s PRO 247 N -4.22 4.14 0.33 8.23 0.02 -1.26 -4.88 135.00 137.35 2ppb s PRO 247 Ca 0.40 2.57 0.04 0.00 0.02 0.00 0.00 61.00 64.03 2ppb s PRO 247 Cb -0.09 -3.38 0.64 0.00 0.02 0.00 0.00 34.50 31.69 2ppb s PRO 247 CO 0.33 -0.79 1.91 -1.35 -0.33 0.00 0.00 177.00 176.77 2ppb h PRO 248 N 7.83 0.86 -5.60 5.54 0.11 -1.96 -3.39 132.00 135.40 2ppb h PRO 248 Ca -0.45 -0.05 -0.62 0.00 0.11 0.00 0.00 66.00 64.99 2ppb h PRO 248 Cb 1.21 -0.19 -0.12 0.00 0.11 0.00 0.00 31.00 32.00 2ppb h PRO 248 CO 0.95 0.57 0.23 -1.59 -0.21 0.00 0.00 178.00 177.95 2ppb s LYS 249 N -5.80 3.82 -0.42 1.05 -2.85 -1.26 -4.87 119.74 109.40 2ppb s LYS 249 Ca -0.11 0.29 0.03 0.00 -1.00 0.00 0.00 55.97 55.17 2ppb s LYS 249 Cb 0.20 -3.77 0.19 0.00 -2.06 0.00 0.00 37.83 32.40 2ppb s LYS 249 CO 0.79 -0.69 0.81 1.03 0.10 0.00 0.00 175.35 177.39 2ppb s ARG 250 N 2.79 0.71 0.00 1.78 0.52 -1.26 -5.12 118.95 118.37 2ppb s ARG 250 Ca 0.27 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 2ppb s ARG 250 Cb -0.14 0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.35 2ppb s ARG 250 CO 0.14 -0.94 0.16 -0.25 0.02 0.00 0.00 175.30 174.43 2ppb n ASP 251 N 3.51 0.00 -2.38 0.23 8.00 -1.26 -3.95 116.55 120.70 2ppb n ASP 251 Ca 0.13 0.16 0.01 0.00 0.71 0.00 0.00 54.79 55.80 2ppb n ASP 251 Cb 0.59 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.73 2ppb n ASP 251 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2ppb n LYS 252 N -0.66 1.14 0.01 -1.24 2.85 -1.26 -5.00 118.16 114.00 2ppb n LYS 252 Ca 0.00 -2.95 -0.01 0.00 -1.05 0.00 0.00 58.31 54.30 2ppb n LYS 252 Cb 0.00 -1.03 -0.00 0.00 -0.65 0.00 0.00 35.03 33.35 2ppb n LYS 252 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ppb h ALA 253 N 2.03 -0.15 -0.05 0.58 0.00 -2.01 -3.25 119.26 116.41 2ppb h ALA 253 Ca -0.18 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2ppb h ALA 253 Cb 1.48 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2ppb h ALA 253 CO 0.14 -0.14 -0.46 0.28 0.00 0.00 0.00 179.25 179.07 2ppb h VAL 254 N -0.23 1.34 0.00 0.00 2.07 -1.95 -2.28 116.25 115.20 2ppb h VAL 254 Ca -0.00 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.88 2ppb h VAL 254 Cb 0.03 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2ppb h VAL 254 CO 0.01 0.48 0.00 0.00 0.02 0.00 0.00 177.57 178.07 2ppb h ALA 255 N 1.42 1.00 -0.08 1.67 0.00 -1.94 -1.56 119.26 119.77 2ppb h ALA 255 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2ppb h ALA 255 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2ppb h ALA 255 CO 0.07 0.00 -0.16 1.88 0.00 0.00 0.00 179.25 181.04 2ppb h TYR 256 N 0.00 0.31 -0.72 0.00 0.05 -1.44 -3.11 116.97 112.07 2ppb h TYR 256 Ca 0.00 -0.11 0.11 0.00 0.05 0.00 0.00 58.73 58.78 2ppb h TYR 256 Cb 0.11 -0.06 -0.08 0.00 1.01 0.00 0.00 36.73 37.71 2ppb h TYR 256 CO 0.00 0.76 0.32 0.28 -1.05 0.00 0.00 178.16 178.47 2ppb h VAL 257 N -0.22 0.76 -0.83 -2.88 2.07 -1.31 0.32 116.25 114.16 2ppb h VAL 257 Ca 0.00 -0.18 -0.33 0.00 0.82 0.00 0.00 66.70 67.02 2ppb h VAL 257 Cb 0.74 0.20 -0.20 0.00 -1.52 0.00 0.00 31.29 30.51 2ppb h VAL 257 CO 0.04 0.09 0.42 -1.22 0.02 0.00 0.00 177.57 176.92 2ppb n TYR 258 N -4.93 2.67 0.00 1.57 4.02 -1.20 -4.11 117.16 115.18 2ppb n TYR 258 Ca 0.12 -1.43 0.00 0.00 -0.01 0.00 0.00 57.90 56.58 2ppb n TYR 258 Cb 0.33 -0.78 0.00 0.00 -0.02 0.00 0.00 39.34 38.87 2ppb n TYR 258 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ppb n GLY 259 N -0.51 0.49 0.10 2.72 0.00 0.97 -4.86 105.19 104.11 2ppb n GLY 259 Ca 0.48 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 2ppb n GLY 259 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ppb n LEU 260 N 0.00 2.66 0.00 0.99 7.94 -0.22 -3.20 117.00 125.17 2ppb n LEU 260 Ca 0.00 -0.10 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 2ppb n LEU 260 Cb 0.00 -0.58 0.00 0.00 0.53 0.00 0.00 43.42 43.37 2ppb n LEU 260 CO 0.00 0.79 0.00 -0.38 -1.11 0.00 0.00 177.39 176.69 2ppb n ILE 261 N -3.03 0.00 0.00 1.96 5.41 -1.26 -4.82 119.36 117.62 2ppb n ILE 261 Ca -0.34 0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.72 2ppb n ILE 261 Cb 0.89 -1.29 0.00 0.00 -0.71 0.00 0.00 39.64 38.53 2ppb n ILE 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ppb n ALA 262 N -2.21 0.00 -0.25 -1.39 0.00 -1.26 -4.50 120.51 110.90 2ppb n ALA 262 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2ppb n ALA 262 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2ppb n ALA 262 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2ppb h ASP 263 N 0.00 -1.56 -2.69 0.00 3.45 -1.86 -3.39 116.42 110.37 2ppb h ASP 263 Ca 0.00 0.26 -0.30 0.00 0.43 0.00 0.00 57.03 57.42 2ppb h ASP 263 Cb 0.00 0.72 0.17 0.00 -0.56 0.00 0.00 39.33 39.66 2ppb h ASP 263 CO 0.00 -0.32 -0.08 -2.65 -1.57 0.00 0.00 179.24 174.62 2ppb n PRO 264 N -5.40 -3.94 -4.35 3.56 -0.02 -1.26 -4.51 135.00 119.08 2ppb n PRO 264 Ca 0.03 -1.25 -0.19 0.00 -2.02 0.00 0.00 63.50 60.07 2ppb n PRO 264 Cb 0.35 -1.49 -0.10 0.00 -0.02 0.00 0.00 33.50 32.24 2ppb n PRO 264 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2ppb s ARG 265 N -4.78 1.34 -0.04 -0.52 3.52 -1.26 -4.91 118.95 112.30 2ppb s ARG 265 Ca 0.55 -1.58 0.05 0.00 -0.13 0.00 0.00 55.73 54.62 2ppb s ARG 265 Cb -0.09 -1.16 0.20 0.00 -1.56 0.00 0.00 34.95 32.34 2ppb s ARG 265 CO 0.45 0.20 0.97 -2.13 -0.81 0.00 0.00 175.30 173.98 2ppb n ARG 266 N -0.34 1.78 -1.73 5.12 0.63 -1.26 -4.34 116.66 116.53 2ppb n ARG 266 Ca -0.08 -0.78 -0.42 0.00 -0.92 0.00 0.00 57.85 55.65 2ppb n ARG 266 Cb 0.60 -1.47 -0.02 0.00 0.45 0.00 0.00 32.46 32.02 2ppb n ARG 266 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 2ppb n TYR 267 N 0.13 2.80 -0.24 -0.14 -0.00 -1.26 -4.68 117.16 113.76 2ppb n TYR 267 Ca 0.07 0.17 -0.10 0.00 -0.00 0.00 0.00 57.90 58.05 2ppb n TYR 267 Cb 0.36 -2.62 -0.02 0.00 -0.00 0.00 0.00 39.34 37.06 2ppb n TYR 267 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.86 176.61 2ppb n ASP 268 N 2.87 0.16 -4.61 9.48 8.00 -1.26 -4.71 116.55 126.49 2ppb n ASP 268 Ca 0.12 0.16 -0.44 0.00 0.71 0.00 0.00 54.79 55.34 2ppb n ASP 268 Cb 0.36 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 2ppb n ASP 268 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2ppb n LEU 269 N 0.72 3.44 0.00 0.64 7.94 -1.26 -2.91 117.00 125.58 2ppb n LEU 269 Ca 0.05 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 2ppb n LEU 269 Cb -0.01 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.43 2ppb n LEU 269 CO 0.13 -0.41 0.00 0.61 -1.11 0.00 0.00 177.39 176.62 2ppb n GLY 270 N 5.40 2.71 0.01 -3.96 0.00 -1.26 -4.89 105.19 103.21 2ppb n GLY 270 Ca 0.28 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.67 2ppb n GLY 270 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ppb n GLU 271 N 0.00 1.12 0.00 1.61 -0.58 -1.23 -4.15 120.64 117.42 2ppb n GLU 271 Ca 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 2ppb n GLU 271 Cb 0.00 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 2ppb n GLU 271 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ppb n ALA 272 N -1.95 -0.19 -0.10 0.62 0.00 -1.14 -3.51 120.51 114.25 2ppb n ALA 272 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 2ppb n ALA 272 Cb 0.39 0.18 -0.15 0.00 0.00 0.00 0.00 19.45 19.88 2ppb n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ppb n GLY 273 N -0.91 -0.78 0.00 0.00 0.00 -1.26 -4.29 105.19 97.94 2ppb n GLY 273 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.77 2ppb n GLY 273 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ppb n ARG 274 N -2.96 0.02 -0.03 1.61 0.00 -1.26 -1.43 116.66 112.61 2ppb n ARG 274 Ca -0.36 0.32 -0.14 0.00 -0.00 0.00 0.00 57.85 57.68 2ppb n ARG 274 Cb 1.09 -1.50 -0.11 0.00 0.00 0.00 0.00 32.46 31.95 2ppb n ARG 274 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 2ppb h TYR 275 N 0.00 0.08 0.00 -0.14 3.20 -1.72 -2.79 116.97 115.60 2ppb h TYR 275 Ca 0.00 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2ppb h TYR 275 Cb 0.02 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2ppb h TYR 275 CO 0.00 0.70 0.00 1.63 -1.64 0.00 0.00 178.16 178.85 2ppb n LYS 276 N -4.71 0.01 0.00 1.82 4.01 -0.51 -3.66 118.16 115.11 2ppb n LYS 276 Ca -0.09 0.26 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 2ppb n LYS 276 Cb 0.35 -1.52 0.00 0.00 -0.51 0.00 0.00 35.03 33.35 2ppb n LYS 276 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2ppb n ALA 277 N -1.52 0.00 -0.24 7.82 0.00 -1.08 -3.37 120.51 122.13 2ppb n ALA 277 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.48 2ppb n ALA 277 Cb 0.17 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.67 2ppb n ALA 277 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ppb n GLU 278 N 0.00 -0.12 0.17 0.00 2.13 -1.03 0.86 120.64 122.65 2ppb n GLU 278 Ca 0.00 0.98 -0.11 0.00 0.66 0.00 0.00 57.16 58.69 2ppb n GLU 278 Cb 0.00 -1.45 -0.06 0.00 0.27 0.00 0.00 31.44 30.20 2ppb n GLU 278 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2ppb h GLU 279 N 0.00 -0.47 -0.17 5.31 4.57 -1.79 -3.36 114.58 118.66 2ppb h GLU 279 Ca 0.25 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.38 2ppb h GLU 279 Cb 0.40 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 2ppb h GLU 279 CO -0.63 -0.19 -0.19 0.87 -1.18 0.00 0.00 179.01 177.69 2ppb h LYS 280 N -1.01 0.43 -1.96 1.92 6.56 -1.35 -3.47 116.57 117.68 2ppb h LYS 280 Ca -0.05 -0.23 0.01 0.00 -1.06 0.00 0.00 60.65 59.31 2ppb h LYS 280 Cb 0.51 0.01 -0.19 0.00 -0.57 0.00 0.00 32.23 31.98 2ppb h LYS 280 CO 0.08 0.80 0.34 -0.48 -2.06 0.00 0.00 179.45 178.14 2ppb s LEU 281 N -9.05 -0.53 0.47 2.94 2.34 0.25 -5.05 118.68 110.07 2ppb s LEU 281 Ca -0.14 0.49 0.00 0.00 0.06 0.00 0.00 54.13 54.54 2ppb s LEU 281 Cb 0.06 2.27 0.00 0.00 -0.56 0.00 0.00 46.19 47.95 2ppb s LEU 281 CO 0.77 -0.55 0.00 0.61 -1.06 0.00 0.00 176.35 176.12 2ppb n GLY 282 N 0.64 -3.85 0.08 -3.48 0.00 -1.26 -3.31 105.19 94.01 2ppb n GLY 282 Ca -0.15 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 2ppb n GLY 282 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ppb n ILE 283 N -2.33 1.47 -4.04 -0.61 -0.00 -1.26 -2.46 119.36 110.13 2ppb n ILE 283 Ca 0.00 0.15 -0.24 0.00 -0.00 0.00 0.00 62.75 62.67 2ppb n ILE 283 Cb 0.37 -2.35 -0.07 0.00 -0.00 0.00 0.00 39.64 37.60 2ppb n ILE 283 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 2ppb s ARG 284 N -2.62 2.29 -0.16 0.38 3.52 -1.26 -4.25 118.95 116.86 2ppb s ARG 284 Ca -0.24 -1.74 -0.04 0.00 -0.13 0.00 0.00 55.73 53.59 2ppb s ARG 284 Cb 0.04 -2.08 0.07 0.00 -1.56 0.00 0.00 34.95 31.41 2ppb s ARG 284 CO 0.35 -0.08 0.14 -0.48 -0.81 0.00 0.00 175.30 174.42 2ppb s LEU 285 N -3.92 0.14 -0.35 -0.88 2.34 -1.26 -4.64 118.68 110.10 2ppb s LEU 285 Ca 0.41 -0.33 -0.17 0.00 0.06 0.00 0.00 54.13 54.11 2ppb s LEU 285 Cb 0.01 0.02 -0.01 0.00 -0.56 0.00 0.00 46.19 45.66 2ppb s LEU 285 CO 0.23 -0.32 0.44 -0.44 -1.06 0.00 0.00 176.35 175.20 2ppb s SER 286 N 2.22 6.24 0.04 1.48 0.01 -1.26 -4.83 113.70 117.60 2ppb s SER 286 Ca 0.04 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2ppb s SER 286 Cb -0.15 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2ppb s SER 286 CO -0.09 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2ppb n GLY 287 N 4.89 -3.29 0.00 3.44 0.00 -1.26 -3.88 105.19 105.09 2ppb n GLY 287 Ca -0.07 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2ppb n GLY 287 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppb n ARG 288 N -0.70 0.00 -2.80 1.61 1.74 -1.26 -4.40 116.66 110.86 2ppb n ARG 288 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 2ppb n ARG 288 Cb 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.50 2ppb n ARG 288 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2ppb s THR 289 N 0.00 2.44 -0.62 0.55 -4.23 -1.26 -4.88 115.64 107.64 2ppb s THR 289 Ca 0.00 -0.79 -0.09 0.00 -1.18 0.00 0.00 61.69 59.63 2ppb s THR 289 Cb 0.00 -2.65 -0.19 0.00 1.34 0.00 0.00 72.50 71.00 2ppb s THR 289 CO 0.00 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.83 2ppb n LEU 290 N -2.37 -1.16 -4.16 4.79 -0.00 -1.26 -4.83 117.00 108.00 2ppb n LEU 290 Ca 0.12 -1.10 -0.19 0.00 -0.00 0.00 0.00 56.01 54.84 2ppb n LEU 290 Cb 0.60 -0.75 -0.12 0.00 -0.00 0.00 0.00 43.42 43.15 2ppb n LEU 290 CO 0.42 -1.78 -0.46 0.00 -0.00 0.00 0.00 177.39 175.57 2ppb s ALA 291 N 2.66 1.19 0.00 1.47 0.00 -1.19 -3.92 121.76 121.96 2ppb s ALA 291 Ca 0.76 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.77 2ppb s ALA 291 Cb -0.41 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.58 2ppb s ALA 291 CO 0.29 0.19 0.00 -2.13 0.00 0.00 0.00 175.76 174.11 2ppb n ARG 292 N 1.48 0.00 -2.61 0.00 0.63 -1.26 -4.68 116.66 110.22 2ppb n ARG 292 Ca -0.20 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.72 2ppb n ARG 292 Cb 0.54 0.00 0.08 0.00 0.45 0.00 0.00 32.46 33.53 2ppb n ARG 292 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 2ppb n PHE 293 N -0.28 -0.43 -0.09 -0.14 1.16 -1.26 -4.71 117.46 111.71 2ppb n PHE 293 Ca 0.00 -1.79 -0.23 0.00 -1.87 0.00 0.00 57.45 53.56 2ppb n PHE 293 Cb 0.00 0.66 -0.12 0.00 -1.61 0.00 0.00 39.48 38.41 2ppb n PHE 293 CO 0.00 0.00 0.00 -0.85 -1.87 0.00 0.00 176.76 174.04 2ppb n GLU 294 N -0.98 0.64 0.00 3.97 0.28 -1.26 -4.65 120.64 118.64 2ppb n GLU 294 Ca -0.07 0.33 0.03 0.00 -0.16 0.00 0.00 57.16 57.30 2ppb n GLU 294 Cb 0.85 -1.63 0.01 0.00 1.43 0.00 0.00 31.44 32.10 2ppb n GLU 294 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2ppb n ASP 295 N -3.90 1.27 0.00 -1.84 4.64 -1.26 -4.97 116.55 110.49 2ppb n ASP 295 Ca -0.40 -1.13 0.00 0.00 -1.38 0.00 0.00 54.79 51.87 2ppb n ASP 295 Cb 0.89 0.24 0.00 0.00 -1.04 0.00 0.00 41.12 41.21 2ppb n ASP 295 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2ppb n GLY 296 N 0.57 3.24 3.56 0.27 0.00 -1.26 -4.98 105.19 106.59 2ppb n GLY 296 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2ppb n GLY 296 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ppb s GLU 297 N -0.48 3.71 0.47 1.61 2.12 -1.26 -4.93 118.70 119.94 2ppb s GLU 297 Ca 0.00 -0.26 -0.10 0.00 0.36 0.00 0.00 54.97 54.97 2ppb s GLU 297 Cb 0.00 -3.76 -0.06 0.00 0.26 0.00 0.00 34.13 30.58 2ppb s GLU 297 CO 0.00 -0.46 0.84 -0.06 -0.54 0.00 0.00 175.26 175.04 2ppb s PHE 298 N 2.07 3.51 -0.08 5.30 0.40 -1.26 -4.87 117.98 123.06 2ppb s PHE 298 Ca 0.13 1.07 0.05 0.00 -0.60 0.00 0.00 56.93 57.59 2ppb s PHE 298 Cb -0.16 -2.49 -0.00 0.00 0.51 0.00 0.00 43.02 40.87 2ppb s PHE 298 CO 0.11 -0.27 -0.24 -1.59 0.70 0.00 0.00 175.22 173.94 2ppb s LYS 299 N -4.30 2.71 -0.41 0.44 -2.85 -1.26 -4.78 119.74 109.30 2ppb s LYS 299 Ca 0.52 -0.86 0.02 0.00 -1.00 0.00 0.00 55.97 54.64 2ppb s LYS 299 Cb -0.10 -2.17 0.14 0.00 -2.06 0.00 0.00 37.83 33.64 2ppb s LYS 299 CO 0.38 0.27 0.24 0.16 0.10 0.00 0.00 175.35 176.50 2ppb s ASP 300 N 0.10 3.28 0.00 0.03 -4.77 -1.26 -4.32 116.67 109.74 2ppb s ASP 300 Ca -0.11 -2.52 0.09 0.00 -3.30 0.00 0.00 52.55 46.71 2ppb s ASP 300 Cb -0.16 -0.77 0.41 0.00 -1.09 0.00 0.00 42.92 41.31 2ppb s ASP 300 CO 0.06 -0.27 1.29 -0.62 0.70 0.00 0.00 175.17 176.33 2ppb n GLU 301 N 3.64 1.30 -0.06 2.11 1.02 -1.26 -3.85 120.64 123.55 2ppb n GLU 301 Ca 0.12 -0.46 -0.07 0.00 -0.02 0.00 0.00 57.16 56.73 2ppb n GLU 301 Cb 0.36 -1.18 -0.06 0.00 -0.02 0.00 0.00 31.44 30.55 2ppb n GLU 301 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2ppb n VAL 302 N -0.20 0.66 0.00 2.62 3.14 -1.26 -4.48 118.33 118.82 2ppb n VAL 302 Ca 0.08 -0.28 -0.11 0.00 -2.96 0.00 0.00 64.34 61.07 2ppb n VAL 302 Cb 0.13 -0.88 -0.06 0.00 -1.06 0.00 0.00 33.84 31.97 2ppb n VAL 302 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 2ppb h PHE 303 N 0.00 0.11 -0.27 1.45 0.05 -1.98 -2.78 116.94 113.51 2ppb h PHE 303 Ca -0.26 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.49 2ppb h PHE 303 Cb 1.44 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 39.34 2ppb h PHE 303 CO 0.01 0.08 0.01 1.37 -0.18 0.00 0.00 178.31 179.60 2ppb h LEU 304 N 0.10 0.46 -0.88 1.54 -0.00 -1.85 -3.24 115.31 111.44 2ppb h LEU 304 Ca 0.03 -0.30 0.10 0.00 -0.00 0.00 0.00 57.88 57.71 2ppb h LEU 304 Cb 0.00 -0.12 -0.08 0.00 -0.00 0.00 0.00 40.66 40.46 2ppb h LEU 304 CO -0.01 0.65 0.52 -0.65 -0.00 0.00 0.00 178.44 178.96 2ppb h PRO 305 N 0.26 0.84 -0.07 0.17 0.11 -1.76 0.14 132.00 131.69 2ppb h PRO 305 Ca 0.08 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.17 2ppb h PRO 305 Cb 0.41 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.30 2ppb h PRO 305 CO 0.01 0.55 -0.13 1.79 -0.21 0.00 0.00 178.00 180.01 2ppb h THR 306 N 0.86 0.65 -0.67 -1.15 1.35 -1.52 0.28 112.91 112.72 2ppb h THR 306 Ca 0.43 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.26 2ppb h THR 306 Cb 0.39 0.65 -0.03 0.00 -1.73 0.00 0.00 68.15 67.42 2ppb h THR 306 CO -0.25 0.00 0.31 0.25 -0.25 0.00 0.00 175.52 175.59 2ppb h LEU 307 N -0.19 0.86 -0.84 3.87 5.85 -1.46 -1.04 115.31 122.36 2ppb h LEU 307 Ca 0.07 -0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.80 2ppb h LEU 307 Cb 0.29 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 2ppb h LEU 307 CO -0.18 0.73 0.47 0.03 -0.34 0.00 0.00 178.44 179.15 2ppb h ARG 308 N 0.94 0.75 0.00 1.25 3.08 0.75 0.44 114.38 121.59 2ppb h ARG 308 Ca 0.23 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2ppb h ARG 308 Cb 0.11 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2ppb h ARG 308 CO -0.03 0.50 -0.11 1.88 -1.07 0.00 0.00 179.97 181.13 2ppb h TYR 309 N 0.77 0.00 0.00 3.04 -1.99 0.28 -1.02 116.97 118.06 2ppb h TYR 309 Ca 0.42 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.98 2ppb h TYR 309 Cb 0.43 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.17 2ppb h TYR 309 CO -0.06 0.00 -0.63 1.25 -0.00 0.00 0.00 178.16 178.72 2ppb h LEU 310 N 0.00 0.55 -1.71 3.88 5.85 0.74 0.69 115.31 125.30 2ppb h LEU 310 Ca 0.00 -0.76 0.02 0.00 0.84 0.00 0.00 57.88 57.97 2ppb h LEU 310 Cb 0.80 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2ppb h LEU 310 CO 0.00 1.24 0.22 -0.26 -0.34 0.00 0.00 178.44 179.30 2ppb h PHE 311 N -0.09 0.37 0.09 1.25 0.05 -0.26 0.93 116.94 119.28 2ppb h PHE 311 Ca -0.08 0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.72 2ppb h PHE 311 Cb 1.34 -0.12 0.00 0.00 2.00 0.00 0.00 35.95 39.17 2ppb h PHE 311 CO 0.15 0.22 -0.04 0.00 -0.18 0.00 0.00 178.31 178.46 2ppb h ALA 312 N 1.80 -0.12 0.00 2.45 0.00 -1.11 -2.47 119.26 119.81 2ppb h ALA 312 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2ppb h ALA 312 Cb 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ppb h ALA 312 CO -0.03 -0.16 -0.03 1.25 0.00 0.00 0.00 179.25 180.28 2ppb h LEU 313 N -0.93 0.00 0.00 0.00 5.85 0.61 -2.02 115.31 118.81 2ppb h LEU 313 Ca -0.01 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.47 2ppb h LEU 313 Cb 0.53 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 2ppb h LEU 313 CO 0.02 0.03 -1.23 0.71 -0.34 0.00 0.00 178.44 177.63 2ppb h THR 314 N 0.00 1.43 0.08 1.05 1.35 -0.88 -3.39 112.91 112.54 2ppb h THR 314 Ca -0.00 -3.19 -0.32 0.00 -0.55 0.00 0.00 66.41 62.34 2ppb h THR 314 Cb 0.06 2.71 -0.03 0.00 -1.73 0.00 0.00 68.15 69.16 2ppb h THR 314 CO 0.00 0.82 -1.79 0.00 -0.25 0.00 0.00 175.52 174.30 2ppb h ALA 315 N 1.00 0.53 -3.00 6.62 0.00 -0.88 -3.51 119.26 120.02 2ppb h ALA 315 Ca -0.10 -1.36 0.00 0.00 0.00 0.00 0.00 54.91 53.45 2ppb h ALA 315 Cb 1.85 0.53 0.00 0.00 0.00 0.00 0.00 17.79 20.17 2ppb h ALA 315 CO 0.11 1.38 0.00 0.41 0.00 0.00 0.00 179.25 181.16 2ppb n GLY 316 N 1.76 1.24 2.86 0.00 0.00 -0.97 -5.06 105.19 105.02 2ppb n GLY 316 Ca -0.23 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2ppb n GLY 316 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ppb n VAL 317 N 0.00 3.18 0.25 1.61 0.31 -1.26 -4.72 118.33 117.69 2ppb n VAL 317 Ca 0.00 -5.30 0.12 0.00 -0.01 0.00 0.00 64.34 59.15 2ppb n VAL 317 Cb 0.00 -2.22 0.61 0.00 -0.91 0.00 0.00 33.84 31.33 2ppb n VAL 317 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2ppb h PRO 318 N 5.26 0.00 -1.41 5.55 0.11 -1.98 -3.45 132.00 136.09 2ppb h PRO 318 Ca 0.18 0.00 0.35 0.00 0.11 0.00 0.00 66.00 66.64 2ppb h PRO 318 Cb 0.72 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.71 2ppb h PRO 318 CO 0.94 0.17 0.88 0.20 -0.21 0.00 0.00 178.00 179.98 2ppb s GLY 319 N -4.24 -0.41 -0.70 -0.55 0.00 -1.26 -5.10 107.32 95.07 2ppb s GLY 319 Ca -0.01 0.69 -0.17 0.00 0.00 0.00 0.00 44.72 45.23 2ppb s GLY 319 CO 0.60 0.82 0.74 0.30 0.00 0.00 0.00 173.10 175.56 2ppb s HIS 320 N -2.26 3.31 -1.48 1.90 3.76 -1.26 -4.96 115.29 114.30 2ppb s HIS 320 Ca 0.16 -1.41 -0.13 0.00 -0.15 0.00 0.00 55.06 53.53 2ppb s HIS 320 Cb 0.05 -3.94 0.02 0.00 1.11 0.00 0.00 32.58 29.82 2ppb s HIS 320 CO -0.04 -1.17 2.33 0.39 -0.85 0.00 0.00 174.74 175.40 2ppb n GLU 321 N 5.39 2.99 -3.98 1.40 -0.58 -1.26 -4.85 120.64 119.75 2ppb n GLU 321 Ca 0.01 -2.57 -0.30 0.00 -0.42 0.00 0.00 57.16 53.89 2ppb n GLU 321 Cb 0.44 -3.21 -0.16 0.00 -0.57 0.00 0.00 31.44 27.94 2ppb n GLU 321 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2ppb s VAL 322 N 2.98 1.48 -0.27 2.62 -7.23 -1.26 -4.55 120.40 114.18 2ppb s VAL 322 Ca 0.50 -0.74 -0.09 0.00 -1.81 0.00 0.00 61.98 59.84 2ppb s VAL 322 Cb 0.14 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 2ppb s VAL 322 CO -0.08 0.30 0.13 -1.81 -0.31 0.00 0.00 175.10 173.32 2ppb s ASP 323 N 1.50 5.56 -0.54 4.85 1.01 -0.89 -4.95 116.67 123.21 2ppb s ASP 323 Ca 0.02 -0.13 -0.28 0.00 0.71 0.00 0.00 52.55 52.87 2ppb s ASP 323 Cb -0.14 -2.02 0.01 0.00 1.01 0.00 0.00 42.92 41.77 2ppb s ASP 323 CO -0.09 -0.05 1.51 -0.62 0.21 0.00 0.00 175.17 176.13 2ppb s ASP 324 N 1.68 6.00 0.17 0.27 -1.08 -1.26 -4.77 116.67 117.68 2ppb s ASP 324 Ca 0.07 0.40 -0.26 0.00 -0.52 0.00 0.00 52.55 52.24 2ppb s ASP 324 Cb -0.16 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.79 2ppb s ASP 324 CO 0.07 -1.79 1.56 0.40 0.52 0.00 0.00 175.17 175.94 2ppb h ILE 325 N 6.48 0.07 0.00 4.11 2.04 -1.98 0.15 117.51 128.38 2ppb h ILE 325 Ca -0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2ppb h ILE 325 Cb 1.11 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2ppb h ILE 325 CO 1.17 0.00 0.00 0.47 0.00 0.00 0.00 178.15 179.79 2ppb n ASP 326 N -5.40 0.00 -4.73 1.72 8.00 -1.26 -4.60 116.55 110.28 2ppb n ASP 326 Ca 0.02 -0.19 -0.42 0.00 0.71 0.00 0.00 54.79 54.91 2ppb n ASP 326 Cb 0.35 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 2ppb n ASP 326 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2ppb s HIS 327 N -2.00 3.21 -0.04 1.24 2.46 0.52 -4.81 115.29 115.86 2ppb s HIS 327 Ca 0.05 1.03 0.29 0.00 0.47 0.00 0.00 55.06 56.90 2ppb s HIS 327 Cb 0.02 -3.69 1.43 0.00 -0.13 0.00 0.00 32.58 30.21 2ppb s HIS 327 CO 0.04 -2.33 1.87 -0.07 -2.47 0.00 0.00 174.74 171.78 2ppb h LEU 328 N 6.10 0.00 -1.11 8.88 4.07 -1.84 0.21 115.31 131.63 2ppb h LEU 328 Ca -0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.53 2ppb h LEU 328 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 2ppb h LEU 328 CO 0.83 0.00 0.00 1.23 -1.08 0.00 0.00 178.44 179.42 2ppb h GLY 329 N 0.87 0.00 0.00 0.83 0.00 -1.91 0.09 103.07 102.94 2ppb h GLY 329 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ppb h GLY 329 CO 0.00 0.00 -1.35 0.70 0.00 0.00 0.00 176.54 175.89 2ppb n ASN 330 N -2.48 0.66 -4.05 0.19 3.02 0.72 -4.75 115.26 108.57 2ppb n ASN 330 Ca 0.01 -0.64 -0.32 0.00 -0.03 0.00 0.00 54.58 53.60 2ppb n ASN 330 Cb 0.21 1.35 -0.15 0.00 -0.61 0.00 0.00 39.78 40.58 2ppb n ASN 330 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2ppb s ARG 331 N -3.17 1.91 0.19 3.52 0.52 0.02 0.18 118.95 122.12 2ppb s ARG 331 Ca 0.02 -1.59 -0.00 0.00 -0.52 0.00 0.00 55.73 53.65 2ppb s ARG 331 Cb 0.15 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 2ppb s ARG 331 CO 0.88 -0.74 0.37 -0.98 0.02 0.00 0.00 175.30 174.85 2ppb s ARG 332 N 1.02 3.50 -0.15 3.54 1.70 -1.04 -4.70 118.95 122.82 2ppb s ARG 332 Ca 0.00 -0.39 -0.05 0.00 -0.47 0.00 0.00 55.73 54.82 2ppb s ARG 332 Cb -0.20 -2.86 -0.03 0.00 -0.57 0.00 0.00 34.95 31.29 2ppb s ARG 332 CO -0.06 0.43 0.02 0.42 -1.08 0.00 0.00 175.30 175.02 2ppb s ILE 333 N -1.84 4.39 -0.56 4.99 1.09 0.65 -2.57 121.20 127.35 2ppb s ILE 333 Ca 0.38 -0.19 -0.16 0.00 -1.10 0.00 0.00 60.65 59.57 2ppb s ILE 333 Cb -0.11 -2.93 0.13 0.00 -1.06 0.00 0.00 42.46 38.49 2ppb s ILE 333 CO 0.29 0.51 0.56 -0.13 -0.10 0.00 0.00 174.94 176.07 2ppb s ARG 334 N 0.01 3.03 0.93 2.79 0.52 0.34 -3.73 118.95 122.84 2ppb s ARG 334 Ca 0.03 -1.67 -0.12 0.00 -0.52 0.00 0.00 55.73 53.46 2ppb s ARG 334 Cb -0.13 -4.30 0.15 0.00 0.52 0.00 0.00 34.95 31.19 2ppb s ARG 334 CO 0.02 -1.37 1.09 0.95 0.02 0.00 0.00 175.30 176.00 2ppb s THR 335 N 1.76 2.50 0.20 0.02 -4.23 -1.26 -2.05 115.64 112.57 2ppb s THR 335 Ca 0.05 0.16 -0.19 0.00 -1.18 0.00 0.00 61.69 60.54 2ppb s THR 335 Cb -0.28 -2.56 0.16 0.00 1.34 0.00 0.00 72.50 71.16 2ppb s THR 335 CO 0.03 -0.21 1.59 0.58 -0.54 0.00 0.00 174.62 176.07 2ppb h VAL 336 N -1.72 0.20 -0.87 2.29 2.07 -1.84 -2.08 116.25 114.30 2ppb h VAL 336 Ca -0.51 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.18 2ppb h VAL 336 Cb 1.29 0.20 -0.16 0.00 -1.52 0.00 0.00 31.29 31.10 2ppb h VAL 336 CO 0.53 0.00 -0.25 1.23 0.02 0.00 0.00 177.57 179.11 2ppb h GLY 337 N -0.12 0.52 0.91 2.17 0.00 -1.87 0.26 103.07 104.93 2ppb h GLY 337 Ca 0.26 0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.93 2ppb h GLY 337 CO -0.69 -0.31 0.33 -2.09 0.00 0.00 0.00 176.54 173.78 2ppb h GLU 338 N -0.01 0.65 0.00 4.80 4.81 -1.67 0.34 114.58 123.50 2ppb h GLU 338 Ca 0.40 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 2ppb h GLU 338 Cb 0.63 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2ppb h GLU 338 CO -0.90 0.43 -0.20 -0.07 -0.73 0.00 0.00 179.01 177.54 2ppb h LEU 339 N 0.67 0.00 0.12 1.64 4.07 -0.44 -2.30 115.31 119.06 2ppb h LEU 339 Ca 0.21 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.87 2ppb h LEU 339 Cb -0.01 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2ppb h LEU 339 CO -0.08 0.20 -1.56 -0.03 -1.08 0.00 0.00 178.44 175.89 2ppb h MET 340 N 0.00 0.25 -0.25 1.13 4.05 -0.39 -3.29 114.93 116.44 2ppb h MET 340 Ca -0.00 -0.43 -0.01 0.00 -0.28 0.00 0.00 59.70 58.98 2ppb h MET 340 Cb 0.55 0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 2ppb h MET 340 CO 0.03 1.21 0.13 0.00 0.23 0.00 0.00 176.91 178.50 2ppb h THR 341 N -0.22 1.08 -0.05 -0.77 1.03 -0.26 -0.33 112.91 113.40 2ppb h THR 341 Ca -0.34 -0.22 -0.01 0.00 -0.01 0.00 0.00 66.41 65.83 2ppb h THR 341 Cb 1.83 0.76 -0.00 0.00 -1.07 0.00 0.00 68.15 69.67 2ppb h THR 341 CO 0.06 0.09 -0.01 -0.78 -0.01 0.00 0.00 175.52 174.88 2ppb h ASP 342 N 0.34 0.09 0.37 0.00 1.82 -1.55 0.49 116.42 117.98 2ppb h ASP 342 Ca 0.09 -0.36 -0.03 0.00 -0.39 0.00 0.00 57.03 56.34 2ppb h ASP 342 Cb 0.02 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.00 2ppb h ASP 342 CO -0.01 0.42 -0.14 1.56 -1.61 0.00 0.00 179.24 179.46 2ppb h GLN 343 N -0.25 0.00 -0.33 0.28 7.50 -1.56 0.33 115.11 121.08 2ppb h GLN 343 Ca 0.01 0.00 -0.13 0.00 0.50 0.00 0.00 58.65 59.03 2ppb h GLN 343 Cb 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.91 2ppb h GLN 343 CO 0.00 0.14 -0.31 0.35 -1.50 0.00 0.00 178.83 177.51 2ppb h PHE 344 N 0.00 0.95 0.00 2.96 3.04 -0.69 -0.24 116.94 122.96 2ppb h PHE 344 Ca -0.00 -0.28 -0.08 0.00 3.98 0.00 0.00 57.97 61.58 2ppb h PHE 344 Cb 0.36 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 2ppb h PHE 344 CO 0.00 1.06 -0.40 0.07 -2.02 0.00 0.00 178.31 177.02 2ppb h ARG 345 N 0.57 0.00 -0.40 1.11 0.11 -0.06 -1.33 114.38 114.39 2ppb h ARG 345 Ca 0.06 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.11 2ppb h ARG 345 Cb 0.89 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.95 2ppb h ARG 345 CO 0.08 0.40 0.15 0.28 0.10 0.00 0.00 179.97 180.98 2ppb h VAL 346 N 0.00 1.20 -0.59 0.08 2.07 -0.13 -1.72 116.25 117.16 2ppb h VAL 346 Ca -0.00 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 2ppb h VAL 346 Cb 1.24 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2ppb h VAL 346 CO 0.05 0.22 0.12 1.23 0.02 0.00 0.00 177.57 179.21 2ppb h GLY 347 N 0.49 1.00 1.05 2.17 0.00 -0.96 -2.30 103.07 104.52 2ppb h GLY 347 Ca 0.13 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 2ppb h GLY 347 CO -0.01 0.57 0.37 1.41 0.00 0.00 0.00 176.54 178.89 2ppb h LEU 348 N 0.89 1.11 -0.65 3.11 4.07 -0.99 -1.15 115.31 121.70 2ppb h LEU 348 Ca 0.19 -0.15 -0.06 0.00 0.08 0.00 0.00 57.88 57.94 2ppb h LEU 348 Cb 0.36 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 2ppb h LEU 348 CO 0.00 0.95 0.17 0.00 -1.08 0.00 0.00 178.44 178.49 2ppb h ALA 349 N 1.21 0.86 -0.48 1.53 0.00 -1.09 0.16 119.26 121.45 2ppb h ALA 349 Ca 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2ppb h ALA 349 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2ppb h ALA 349 CO -0.03 0.56 0.27 0.00 0.00 0.00 0.00 179.25 180.05 2ppb h ARG 350 N 0.96 0.66 0.00 0.00 3.08 -0.85 0.20 114.38 118.43 2ppb h ARG 350 Ca 0.21 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 2ppb h ARG 350 Cb 0.35 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2ppb h ARG 350 CO 0.00 0.48 -0.03 1.25 -1.07 0.00 0.00 179.97 180.60 2ppb h LEU 351 N 0.67 0.03 -2.37 3.04 5.85 -0.90 -3.16 115.31 118.47 2ppb h LEU 351 Ca 0.17 -0.80 0.01 0.00 0.84 0.00 0.00 57.88 58.10 2ppb h LEU 351 Cb 0.01 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2ppb h LEU 351 CO -0.03 0.82 0.03 0.00 -0.34 0.00 0.00 178.44 178.93 2ppb h ALA 352 N 0.20 1.64 0.16 1.25 0.00 -0.48 -0.39 119.26 121.65 2ppb h ALA 352 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ppb h ALA 352 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2ppb h ALA 352 CO 0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 179.25 179.13 2ppb h ARG 353 N 0.00 -0.21 0.00 0.00 3.08 -0.62 -2.96 114.38 113.67 2ppb h ARG 353 Ca 0.01 0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 2ppb h ARG 353 Cb 0.08 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2ppb h ARG 353 CO -0.00 0.07 -0.60 0.78 -1.07 0.00 0.00 179.97 179.14 2ppb h GLY 354 N -0.49 0.00 1.44 0.04 0.00 -1.35 -3.20 103.07 99.51 2ppb h GLY 354 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 2ppb h GLY 354 CO 0.04 0.00 -0.08 -0.24 0.00 0.00 0.00 176.54 176.25 2ppb h VAL 355 N 0.00 1.24 -0.54 4.60 3.04 -1.11 -2.39 116.25 121.10 2ppb h VAL 355 Ca -0.01 -1.06 0.03 0.00 -1.01 0.00 0.00 66.70 64.65 2ppb h VAL 355 Cb 1.10 1.04 -0.03 0.00 -2.01 0.00 0.00 31.29 31.39 2ppb h VAL 355 CO 0.08 0.36 0.36 0.03 -1.01 0.00 0.00 177.57 177.39 2ppb h ARG 356 N 0.62 0.62 -0.05 4.17 2.47 -1.51 -1.13 114.38 119.57 2ppb h ARG 356 Ca 0.11 -0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.68 2ppb h ARG 356 Cb 0.51 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 2ppb h ARG 356 CO 0.03 0.41 -0.50 0.93 0.56 0.00 0.00 179.97 181.40 2ppb h GLU 357 N 0.64 0.14 -0.00 0.04 4.39 -1.52 -3.00 114.58 115.27 2ppb h GLU 357 Ca 0.21 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2ppb h GLU 357 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2ppb h GLU 357 CO -0.05 0.61 -0.12 0.54 -1.16 0.00 0.00 179.01 178.82 2ppb n ARG 358 N -3.95 0.13 0.22 2.33 3.00 -0.47 -2.85 116.66 115.08 2ppb n ARG 358 Ca -0.02 -0.03 0.08 0.00 -0.01 0.00 0.00 57.85 57.88 2ppb n ARG 358 Cb 0.53 -1.50 0.53 0.00 0.00 0.00 0.00 32.46 32.02 2ppb n ARG 358 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 2ppb h MET 359 N 0.07 0.00 0.00 5.56 4.05 -1.30 -2.00 114.93 121.31 2ppb h MET 359 Ca 0.00 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 59.21 2ppb h MET 359 Cb 0.46 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.22 2ppb h MET 359 CO 0.00 0.24 -1.99 1.28 0.23 0.00 0.00 176.91 176.67 2ppb n LEU 360 N -3.75 0.26 -0.04 3.39 4.77 -1.19 -4.52 117.00 115.92 2ppb n LEU 360 Ca -0.01 0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 2ppb n LEU 360 Cb 0.34 0.23 -0.12 0.00 -2.33 0.00 0.00 43.42 41.55 2ppb n LEU 360 CO 0.34 0.26 0.46 0.24 -1.33 0.00 0.00 177.39 177.36 2ppb h MET 361 N 0.00 0.06 -6.48 3.23 2.86 -1.35 -3.45 114.93 109.80 2ppb h MET 361 Ca -0.28 -0.06 -0.58 0.00 -2.06 0.00 0.00 59.70 56.72 2ppb h MET 361 Cb 1.71 0.02 0.05 0.00 0.06 0.00 0.00 31.60 33.44 2ppb h MET 361 CO 0.03 0.83 0.90 0.41 1.06 0.00 0.00 176.91 180.13 2ppb n GLY 362 N 1.03 1.27 0.00 8.32 0.00 -0.77 -4.94 105.19 110.10 2ppb n GLY 362 Ca -0.09 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2ppb n GLY 362 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ppb n SER 363 N 4.20 0.00 -1.07 1.61 7.64 -1.26 -4.92 113.62 119.81 2ppb n SER 363 Ca 0.18 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2ppb n SER 363 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 2ppb n SER 363 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ppb n GLU 364 N -0.36 2.45 -0.31 1.43 -0.58 -1.26 -5.03 120.64 116.99 2ppb n GLU 364 Ca 0.00 0.00 0.24 0.00 -0.42 0.00 0.00 57.16 56.98 2ppb n GLU 364 Cb 0.00 0.00 0.54 0.00 -0.57 0.00 0.00 31.44 31.41 2ppb n GLU 364 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2ppb h ASP 365 N 0.00 0.39 -0.41 1.62 2.03 -2.02 -3.37 116.42 114.66 2ppb h ASP 365 Ca 0.00 0.07 -0.23 0.00 -0.73 0.00 0.00 57.03 56.14 2ppb h ASP 365 Cb 0.00 0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 38.48 2ppb h ASP 365 CO 0.00 0.08 0.69 -0.44 -1.03 0.00 0.00 179.24 178.54 2ppb s SER 366 N -5.29 4.56 0.00 4.15 0.01 -1.26 -4.31 113.70 111.56 2ppb s SER 366 Ca -0.08 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 55.96 2ppb s SER 366 Cb 0.25 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2ppb s SER 366 CO 0.80 -3.51 0.68 0.18 0.41 0.00 0.00 173.24 171.80 2ppb n LEU 367 N 15.96 0.00 0.21 2.44 4.32 -1.26 -4.91 117.00 133.76 2ppb n LEU 367 Ca 0.43 -0.59 -0.11 0.00 -0.02 0.00 0.00 56.01 55.72 2ppb n LEU 367 Cb 0.46 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.21 2ppb n LEU 367 CO 0.63 0.26 0.31 0.74 -1.22 0.00 0.00 177.39 178.10 2ppb h THR 368 N 5.01 0.17 0.00 -5.08 2.02 -1.88 -3.08 112.91 110.06 2ppb h THR 368 Ca 0.00 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2ppb h THR 368 Cb 1.18 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2ppb h THR 368 CO 0.00 0.04 0.00 -0.81 0.37 0.00 0.00 175.52 175.12 2ppb n PRO 369 N -5.17 0.00 0.11 6.66 -0.05 -1.26 -3.86 135.00 131.42 2ppb n PRO 369 Ca -0.08 0.00 -0.03 0.00 -0.05 0.00 0.00 63.50 63.34 2ppb n PRO 369 Cb 0.26 -0.12 0.18 0.00 -0.05 0.00 0.00 33.50 33.78 2ppb n PRO 369 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2ppb h ALA 370 N -2.21 1.00 -0.77 0.55 0.00 -1.84 -2.62 119.26 113.38 2ppb h ALA 370 Ca 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2ppb h ALA 370 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2ppb h ALA 370 CO 0.00 0.68 0.36 0.87 0.00 0.00 0.00 179.25 181.16 2ppb h LYS 371 N 0.12 1.10 0.00 0.00 6.56 -1.78 -3.28 116.57 119.28 2ppb h LYS 371 Ca -0.00 -0.16 -0.23 0.00 -1.06 0.00 0.00 60.65 59.20 2ppb h LYS 371 Cb 0.99 -0.20 -0.04 0.00 -0.57 0.00 0.00 32.23 32.41 2ppb h LYS 371 CO 0.08 0.85 -2.12 1.28 -2.06 0.00 0.00 179.45 177.48 2ppb n LEU 372 N -4.31 0.14 -4.38 2.94 4.32 -1.16 -4.67 117.00 109.88 2ppb n LEU 372 Ca 0.07 0.06 -0.32 0.00 -0.02 0.00 0.00 56.01 55.81 2ppb n LEU 372 Cb 0.14 0.29 -0.15 0.00 -1.62 0.00 0.00 43.42 42.08 2ppb n LEU 372 CO 0.39 0.30 -0.50 -0.69 -1.22 0.00 0.00 177.39 175.68 2ppb s VAL 373 N -2.85 2.65 -0.11 4.08 1.01 -0.99 -4.37 120.40 119.82 2ppb s VAL 373 Ca -0.08 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 2ppb s VAL 373 Cb 0.09 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.48 2ppb s VAL 373 CO 0.85 0.57 0.01 0.54 0.00 0.00 0.00 175.10 177.07 2ppb s ASN 374 N -0.37 1.96 0.00 3.32 4.22 -1.26 -4.62 114.94 118.19 2ppb s ASN 374 Ca 0.03 -0.29 0.23 0.00 -2.14 0.00 0.00 52.86 50.69 2ppb s ASN 374 Cb -0.12 -0.50 1.06 0.00 1.28 0.00 0.00 41.25 42.97 2ppb s ASN 374 CO 0.02 -0.22 1.74 -1.54 -2.04 0.00 0.00 177.10 175.06 2ppb n SER 375 N 5.11 0.00 -0.17 3.54 3.41 -1.26 -3.93 113.62 120.33 2ppb n SER 375 Ca -0.08 0.21 -0.04 0.00 -0.26 0.00 0.00 58.87 58.70 2ppb n SER 375 Cb 0.49 -0.39 0.05 0.00 -0.26 0.00 0.00 64.21 64.11 2ppb n SER 375 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2ppb h ARG 376 N 0.00 0.49 0.53 4.33 9.65 -1.97 -2.68 114.38 124.72 2ppb h ARG 376 Ca 0.00 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 2ppb h ARG 376 Cb 0.29 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 2ppb h ARG 376 CO 0.00 0.33 -0.35 -1.35 2.80 0.00 0.00 179.97 181.39 2ppb h PRO 377 N 0.51 -0.81 -0.89 0.20 0.11 -1.93 -2.71 132.00 126.49 2ppb h PRO 377 Ca 0.22 0.05 0.17 0.00 0.11 0.00 0.00 66.00 66.55 2ppb h PRO 377 Cb 0.12 0.18 -0.10 0.00 0.11 0.00 0.00 31.00 31.32 2ppb h PRO 377 CO -0.15 -0.54 0.46 1.25 -0.21 0.00 0.00 178.00 178.82 2ppb h LEU 378 N -0.84 0.55 0.02 2.35 5.85 -1.76 -0.23 115.31 121.25 2ppb h LEU 378 Ca -0.07 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2ppb h LEU 378 Cb 0.68 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 2ppb h LEU 378 CO 0.05 0.20 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.25 2ppb h GLU 379 N 0.62 -0.04 -0.85 1.25 4.57 -1.37 -1.47 114.58 117.28 2ppb h GLU 379 Ca 0.50 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.86 2ppb h GLU 379 Cb 0.76 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.30 2ppb h GLU 379 CO -0.39 -0.03 0.56 0.00 -1.18 0.00 0.00 179.01 177.97 2ppb h ALA 380 N -1.70 2.15 0.56 2.92 0.00 -1.17 0.50 119.26 122.53 2ppb h ALA 380 Ca -0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2ppb h ALA 380 Cb 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2ppb h ALA 380 CO -0.00 -0.41 -0.27 0.00 0.00 0.00 0.00 179.25 178.57 2ppb h ALA 381 N 1.62 -0.96 0.62 0.00 0.00 -0.83 -1.74 119.26 117.97 2ppb h ALA 381 Ca 0.43 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2ppb h ALA 381 Cb 1.03 0.29 0.01 0.00 0.00 0.00 0.00 17.79 19.12 2ppb h ALA 381 CO -0.16 -0.90 -0.30 0.82 0.00 0.00 0.00 179.25 178.72 2ppb h ILE 382 N -0.93 0.40 -0.92 0.00 2.04 -1.06 -2.81 117.51 114.22 2ppb h ILE 382 Ca -0.08 -0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.05 2ppb h ILE 382 Cb 0.58 0.40 -0.15 0.00 -0.74 0.00 0.00 36.82 36.91 2ppb h ILE 382 CO 0.13 0.00 0.32 -0.09 0.00 0.00 0.00 178.15 178.51 2ppb h ARG 383 N -0.83 0.21 -0.81 2.37 2.43 -1.00 0.61 114.38 117.37 2ppb h ARG 383 Ca -0.08 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2ppb h ARG 383 Cb 0.64 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 2ppb h ARG 383 CO 0.14 0.14 0.53 1.49 -1.51 0.00 0.00 179.97 180.77 2ppb h GLU 384 N 0.22 1.06 -0.53 0.20 4.81 -1.12 -2.09 114.58 117.13 2ppb h GLU 384 Ca 0.62 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.74 2ppb h GLU 384 Cb 1.31 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 2ppb h GLU 384 CO -0.66 0.70 0.16 0.35 -0.73 0.00 0.00 179.01 178.82 2ppb h PHE 385 N 1.09 0.86 0.00 0.92 3.57 0.48 0.93 116.94 124.79 2ppb h PHE 385 Ca 0.30 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 2ppb h PHE 385 Cb -0.12 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.36 2ppb h PHE 385 CO -0.02 0.74 -0.32 0.74 -2.23 0.00 0.00 178.31 177.23 2ppb h PHE 386 N 0.73 0.00 0.00 0.41 -1.00 -1.30 -2.98 116.94 112.80 2ppb h PHE 386 Ca 0.17 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.91 2ppb h PHE 386 Cb 0.29 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 2ppb h PHE 386 CO 0.02 0.13 -1.50 -1.13 -1.61 0.00 0.00 178.31 174.22 2ppb n SER 387 N -3.06 2.73 -0.05 2.17 3.41 -0.80 -4.78 113.62 113.25 2ppb n SER 387 Ca 0.02 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.58 2ppb n SER 387 Cb 0.59 1.27 -0.06 0.00 -0.26 0.00 0.00 64.21 65.75 2ppb n SER 387 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2ppb n ARG 388 N -1.97 1.85 -1.57 4.33 3.00 0.32 -5.02 116.66 117.59 2ppb n ARG 388 Ca -0.05 0.02 -0.55 0.00 -0.01 0.00 0.00 57.85 57.25 2ppb n ARG 388 Cb 0.40 -1.23 -0.07 0.00 0.00 0.00 0.00 32.46 31.56 2ppb n ARG 388 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2ppb n SER 389 N -2.48 1.06 -0.18 0.55 2.88 -0.81 -4.78 113.62 109.85 2ppb n SER 389 Ca -0.16 1.13 0.20 0.00 -1.33 0.00 0.00 58.87 58.72 2ppb n SER 389 Cb 0.76 -1.08 0.57 0.00 -0.75 0.00 0.00 64.21 63.72 2ppb n SER 389 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2ppb h GLN 390 N 4.14 0.27 0.03 -1.46 4.20 -1.94 -1.72 115.11 118.64 2ppb h GLN 390 Ca -0.49 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.20 2ppb h GLN 390 Cb 1.37 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.09 2ppb h GLN 390 CO 0.75 0.18 -0.02 1.25 -0.67 0.00 0.00 178.83 180.32 2ppb h LEU 391 N 0.28 -0.04 -9.21 1.46 6.46 -1.89 -3.43 115.31 108.94 2ppb h LEU 391 Ca 0.41 -0.39 -0.56 0.00 -0.12 0.00 0.00 57.88 57.22 2ppb h LEU 391 Cb 1.19 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.09 2ppb h LEU 391 CO -0.11 0.37 0.67 -0.94 -0.62 0.00 0.00 178.44 177.81 2ppb s SER 392 N -5.56 7.16 0.36 1.25 1.04 -0.65 -3.82 113.70 113.47 2ppb s SER 392 Ca -0.15 1.54 0.03 0.00 0.48 0.00 0.00 55.95 57.85 2ppb s SER 392 Cb 0.02 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2ppb s SER 392 CO 0.66 -0.55 0.12 -1.10 0.98 0.00 0.00 173.24 173.34 2ppb s GLN 393 N 2.46 1.76 0.10 4.02 1.11 -0.50 -4.70 119.66 123.92 2ppb s GLN 393 Ca 0.49 -2.03 -0.31 0.00 0.01 0.00 0.00 55.36 53.51 2ppb s GLN 393 Cb -0.19 -0.54 -0.11 0.00 -1.01 0.00 0.00 33.01 31.17 2ppb s GLN 393 CO 0.15 -0.39 1.86 0.34 0.01 0.00 0.00 175.29 177.26 2ppb n PHE 394 N -0.76 2.59 -2.00 0.91 -0.00 -1.26 -0.72 117.46 116.21 2ppb n PHE 394 Ca -0.03 -0.18 -0.42 0.00 -0.00 0.00 0.00 57.45 56.82 2ppb n PHE 394 Cb 0.65 -2.74 -0.03 0.00 -0.00 0.00 0.00 39.48 37.36 2ppb n PHE 394 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 2ppb s LYS 395 N 3.05 4.23 -0.63 -4.13 2.20 -0.81 -4.82 119.74 118.84 2ppb s LYS 395 Ca 0.83 2.26 -0.25 0.00 -0.36 0.00 0.00 55.97 58.46 2ppb s LYS 395 Cb -0.48 -3.35 0.04 0.00 -1.51 0.00 0.00 37.83 32.53 2ppb s LYS 395 CO 0.39 -0.61 1.07 0.16 -0.36 0.00 0.00 175.35 176.00 2ppb s ASP 396 N 1.62 6.27 -0.55 1.43 -4.77 -1.26 -4.82 116.67 114.59 2ppb s ASP 396 Ca 0.70 -0.46 0.03 0.00 -3.30 0.00 0.00 52.55 49.52 2ppb s ASP 396 Cb -0.40 -2.48 0.40 0.00 -1.09 0.00 0.00 42.92 39.34 2ppb s ASP 396 CO 0.31 -1.48 1.30 -0.62 0.70 0.00 0.00 175.17 175.38 2ppb n GLU 397 N 8.16 3.32 -0.09 2.11 1.02 -1.26 -0.98 120.64 132.93 2ppb n GLU 397 Ca 0.02 -4.34 -0.07 0.00 -0.02 0.00 0.00 57.16 52.75 2ppb n GLU 397 Cb 0.48 -2.26 -0.01 0.00 -0.02 0.00 0.00 31.44 29.63 2ppb n GLU 397 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2ppb h THR 398 N 2.48 0.35 -4.13 2.62 2.02 -1.85 -3.40 112.91 111.00 2ppb h THR 398 Ca 0.35 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.41 2ppb h THR 398 Cb 0.69 0.35 -0.16 0.00 -1.74 0.00 0.00 68.15 67.29 2ppb h THR 398 CO 0.97 0.00 -0.63 0.54 0.37 0.00 0.00 175.52 176.77 2ppb s ASN 399 N -5.07 0.40 0.18 4.18 2.20 -1.09 -4.16 114.94 111.59 2ppb s ASN 399 Ca -0.15 -0.88 -0.26 0.00 -0.94 0.00 0.00 52.86 50.63 2ppb s ASN 399 Cb 0.13 0.21 0.05 0.00 -2.00 0.00 0.00 41.25 39.64 2ppb s ASN 399 CO 0.68 -0.58 1.55 -0.65 -2.94 0.00 0.00 177.10 175.16 2ppb h PRO 400 N 3.26 -0.06 -0.79 3.55 0.11 -1.89 0.21 132.00 136.39 2ppb h PRO 400 Ca -0.34 0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.96 2ppb h PRO 400 Cb 1.16 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2ppb h PRO 400 CO 0.62 -0.04 0.54 1.25 -0.21 0.00 0.00 178.00 180.15 2ppb h LEU 401 N -0.07 0.26 0.42 2.35 5.85 -1.95 0.64 115.31 122.82 2ppb h LEU 401 Ca 0.22 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 2ppb h LEU 401 Cb 0.51 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2ppb h LEU 401 CO -0.89 0.12 -0.20 0.77 -0.34 0.00 0.00 178.44 177.90 2ppb h SER 402 N 0.27 -0.48 -0.18 1.25 4.64 -1.18 -0.94 113.55 116.93 2ppb h SER 402 Ca 0.39 -0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.69 2ppb h SER 402 Cb 1.14 0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 63.28 2ppb h SER 402 CO -0.10 -0.23 -0.53 0.77 -0.87 0.00 0.00 176.83 175.87 2ppb h SER 403 N -0.71 -1.68 -0.60 4.97 4.64 0.85 -0.37 113.55 120.64 2ppb h SER 403 Ca -0.06 0.21 0.12 0.00 -0.47 0.00 0.00 61.79 61.59 2ppb h SER 403 Cb 0.51 0.67 -0.12 0.00 -0.31 0.00 0.00 62.40 63.15 2ppb h SER 403 CO 0.10 -0.47 -0.22 0.25 -0.87 0.00 0.00 176.83 175.62 2ppb h LEU 404 N -0.54 -0.78 -0.69 5.97 5.85 -1.06 -0.36 115.31 123.69 2ppb h LEU 404 Ca 0.05 0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.98 2ppb h LEU 404 Cb 0.66 0.45 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 2ppb h LEU 404 CO -0.46 -0.25 0.44 -0.09 -0.34 0.00 0.00 178.44 177.75 2ppb h ARG 405 N -0.07 0.86 0.00 1.25 2.43 -0.08 -0.77 114.38 118.01 2ppb h ARG 405 Ca 0.27 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2ppb h ARG 405 Cb 0.50 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2ppb h ARG 405 CO -0.65 0.57 0.00 1.25 -1.51 0.00 0.00 179.97 179.63 2ppb h HIS 406 N 0.89 0.00 0.22 2.20 2.76 0.45 -2.26 115.15 119.41 2ppb h HIS 406 Ca 0.26 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 58.11 2ppb h HIS 406 Cb -0.05 0.00 0.03 0.00 1.55 0.00 0.00 27.41 28.94 2ppb h HIS 406 CO -0.03 0.00 -1.41 0.87 -1.30 0.00 0.00 177.93 176.06 2ppb h LYS 407 N 0.00 0.49 -0.02 5.26 1.57 0.34 -3.35 116.57 120.85 2ppb h LYS 407 Ca 0.00 -0.82 0.00 0.00 -1.87 0.00 0.00 60.65 57.96 2ppb h LYS 407 Cb 0.28 0.30 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2ppb h LYS 407 CO 0.00 1.39 -0.20 2.89 -0.57 0.00 0.00 179.45 182.96 2ppb n ARG 408 N -3.68 1.76 -2.39 3.15 1.85 -1.04 -4.85 116.66 111.46 2ppb n ARG 408 Ca -0.15 -1.45 -0.41 0.00 -1.00 0.00 0.00 57.85 54.84 2ppb n ARG 408 Cb 1.08 -1.44 -0.03 0.00 -1.05 0.00 0.00 32.46 31.02 2ppb n ARG 408 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 2ppb s ARG 409 N -2.10 4.49 -0.24 2.89 1.70 -0.88 -3.67 118.95 121.14 2ppb s ARG 409 Ca 0.22 1.86 -0.29 0.00 -0.47 0.00 0.00 55.73 57.05 2ppb s ARG 409 Cb 0.18 -3.25 0.01 0.00 -0.57 0.00 0.00 34.95 31.32 2ppb s ARG 409 CO 0.40 -0.10 1.03 0.42 -1.08 0.00 0.00 175.30 175.98 2ppb s ILE 410 N 0.05 4.67 0.02 4.99 1.01 0.40 -4.11 121.20 128.22 2ppb s ILE 410 Ca 0.53 1.98 0.01 0.00 0.00 0.00 0.00 60.65 63.17 2ppb s ILE 410 Cb -0.32 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 2ppb s ILE 410 CO 0.36 -0.20 0.08 -0.55 0.00 0.00 0.00 174.94 174.62 2ppb s SER 411 N 1.25 5.63 -0.14 3.58 0.15 -0.90 0.81 113.70 124.07 2ppb s SER 411 Ca 0.44 0.10 -0.10 0.00 0.70 0.00 0.00 55.95 57.09 2ppb s SER 411 Cb -0.15 -1.59 -0.05 0.00 -1.71 0.00 0.00 66.02 62.53 2ppb s SER 411 CO 0.07 0.25 -0.08 0.00 1.20 0.00 0.00 173.24 174.68 2ppb h ALA 412 N 3.89 0.03 -2.48 5.45 0.00 -1.60 -3.30 119.26 121.25 2ppb h ALA 412 Ca -0.48 -0.50 -0.58 0.00 0.00 0.00 0.00 54.91 53.34 2ppb h ALA 412 Cb 1.18 0.44 0.15 0.00 0.00 0.00 0.00 17.79 19.56 2ppb h ALA 412 CO 0.63 0.43 -0.12 1.28 0.00 0.00 0.00 179.25 181.48 2ppb n LEU 413 N -4.62 1.83 0.00 0.00 4.77 -1.26 -4.14 117.00 113.58 2ppb n LEU 413 Ca -0.09 0.86 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 2ppb n LEU 413 Cb 0.27 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 2ppb n LEU 413 CO 0.10 -2.31 0.00 0.61 -1.33 0.00 0.00 177.39 174.46 2ppb n GLY 414 N 1.50 -0.56 0.50 -0.72 0.00 -1.26 -4.87 105.19 99.78 2ppb n GLY 414 Ca 0.11 -0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.43 2ppb n GLY 414 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ppb n PRO 415 N 0.00 0.01 0.00 1.61 -0.02 -1.26 -4.67 135.00 130.67 2ppb n PRO 415 Ca 0.00 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2ppb n PRO 415 Cb 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2ppb n PRO 415 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppb n GLY 416 N -1.64 2.94 0.29 -1.23 0.00 -1.26 -4.82 105.19 99.46 2ppb n GLY 416 Ca 0.25 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.30 2ppb n GLY 416 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ppb h GLY 417 N 0.00 0.52 0.00 -0.02 0.00 -1.99 -3.37 103.07 98.21 2ppb h GLY 417 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2ppb h GLY 417 CO 0.00 0.22 0.00 1.04 0.00 0.00 0.00 176.54 177.80 2ppb n LEU 418 N -4.42 1.02 -4.14 3.11 4.32 -1.26 -4.97 117.00 110.66 2ppb n LEU 418 Ca 0.02 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.75 2ppb n LEU 418 Cb 0.12 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 41.75 2ppb n LEU 418 CO 0.36 0.00 -0.51 0.42 -1.22 0.00 0.00 177.39 176.44 2ppb s THR 419 N 0.00 1.48 0.63 -5.08 -4.23 -1.26 -4.85 115.64 102.33 2ppb s THR 419 Ca 0.00 -0.74 0.05 0.00 -1.18 0.00 0.00 61.69 59.82 2ppb s THR 419 Cb 0.00 -1.27 0.10 0.00 1.34 0.00 0.00 72.50 72.67 2ppb s THR 419 CO 0.00 0.42 0.86 -0.13 -0.54 0.00 0.00 174.62 175.24 2ppb s ARG 420 N 0.05 2.07 0.06 3.99 0.52 -1.26 -4.03 118.95 120.35 2ppb s ARG 420 Ca -0.05 -1.39 -0.11 0.00 -0.52 0.00 0.00 55.73 53.66 2ppb s ARG 420 Cb -0.12 -2.52 -0.30 0.00 0.52 0.00 0.00 34.95 32.53 2ppb s ARG 420 CO 0.02 -1.07 1.09 1.49 0.02 0.00 0.00 175.30 176.85 2ppb h GLU 421 N -0.10 0.47 -0.58 3.54 4.57 -2.00 -3.35 114.58 117.14 2ppb h GLU 421 Ca -0.33 -0.74 0.00 0.00 -1.18 0.00 0.00 59.36 57.11 2ppb h GLU 421 Cb 1.28 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 30.13 2ppb h GLU 421 CO 0.41 1.34 0.00 0.54 -1.18 0.00 0.00 179.01 180.12 2ppb n ARG 422 N -3.68 3.09 -3.65 1.92 1.74 -1.26 -4.78 116.66 110.04 2ppb n ARG 422 Ca -0.13 -2.59 -0.38 0.00 -0.77 0.00 0.00 57.85 53.98 2ppb n ARG 422 Cb 1.04 -1.61 -0.12 0.00 -1.02 0.00 0.00 32.46 30.75 2ppb n ARG 422 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ppb s ALA 423 N -1.38 3.34 0.00 7.54 0.00 -1.26 -4.86 121.76 125.14 2ppb s ALA 423 Ca 0.43 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2ppb s ALA 423 Cb 0.25 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 21.02 2ppb s ALA 423 CO 0.25 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.72 2ppb n GLY 424 N 5.00 0.00 0.41 0.00 0.00 -1.26 -4.68 105.19 104.66 2ppb n GLY 424 Ca -0.14 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.09 2ppb n GLY 424 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ppb h PHE 425 N 0.00 0.00 0.10 1.61 3.57 -1.98 0.99 116.94 121.23 2ppb h PHE 425 Ca 0.00 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.19 2ppb h PHE 425 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2ppb h PHE 425 CO 0.00 0.00 -1.61 0.38 -2.23 0.00 0.00 178.31 174.85 2ppb h ASP 426 N 0.00 0.33 -0.02 0.41 2.03 -1.96 -3.31 116.42 113.90 2ppb h ASP 426 Ca 0.23 -0.51 -0.24 0.00 -0.73 0.00 0.00 57.03 55.78 2ppb h ASP 426 Cb 1.33 -0.11 0.01 0.00 -0.83 0.00 0.00 39.33 39.74 2ppb h ASP 426 CO -0.00 1.44 -0.89 0.58 -1.03 0.00 0.00 179.24 179.33 2ppb h VAL 427 N 0.06 1.30 0.00 4.15 2.07 -0.81 -3.21 116.25 119.80 2ppb h VAL 427 Ca -0.27 -2.13 -0.03 0.00 0.82 0.00 0.00 66.70 65.09 2ppb h VAL 427 Cb 2.01 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 33.96 2ppb h VAL 427 CO 0.14 0.66 -0.16 0.03 0.02 0.00 0.00 177.57 178.26 2ppb h ARG 428 N 0.44 0.00 -7.13 1.57 3.08 0.64 -3.44 114.38 109.54 2ppb h ARG 428 Ca -0.08 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.45 2ppb h ARG 428 Cb 1.53 0.00 0.11 0.00 0.08 0.00 0.00 29.97 31.69 2ppb h ARG 428 CO 0.18 0.16 0.43 -0.51 -1.07 0.00 0.00 179.97 179.16 2ppb s ASP 429 N -6.54 5.04 -0.70 7.04 1.01 -1.22 -4.69 116.67 116.62 2ppb s ASP 429 Ca -0.03 2.27 -0.25 0.00 0.71 0.00 0.00 52.55 55.26 2ppb s ASP 429 Cb 0.14 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.54 2ppb s ASP 429 CO 0.64 -1.69 1.12 0.54 0.21 0.00 0.00 175.17 175.99 2ppb s VAL 430 N -1.85 4.04 0.71 -1.27 0.11 -1.26 -5.02 120.40 115.86 2ppb s VAL 430 Ca 0.74 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.66 2ppb s VAL 430 Cb -0.27 -4.80 0.03 0.00 -1.53 0.00 0.00 36.38 29.81 2ppb s VAL 430 CO 0.36 -1.65 1.12 -2.28 -3.33 0.00 0.00 175.10 169.32 2ppb s HIS 431 N 4.86 2.47 0.13 1.54 2.46 -1.26 -4.92 115.29 120.57 2ppb s HIS 431 Ca 0.28 1.57 -0.32 0.00 0.47 0.00 0.00 55.06 57.07 2ppb s HIS 431 Cb -0.13 -3.19 -0.09 0.00 -0.13 0.00 0.00 32.58 29.04 2ppb s HIS 431 CO 0.12 -1.91 1.55 0.00 -2.47 0.00 0.00 174.74 172.04 2ppb h ARG 432 N -0.41 -0.39 0.00 2.88 2.47 -1.95 -0.77 114.38 116.21 2ppb h ARG 432 Ca -0.46 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 2ppb h ARG 432 Cb 1.25 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.66 2ppb h ARG 432 CO 0.52 -0.26 0.21 1.15 0.56 0.00 0.00 179.97 182.16 2ppb h THR 433 N -0.40 0.00 0.00 2.04 2.02 -1.92 -2.85 112.91 111.80 2ppb h THR 433 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2ppb h THR 433 Cb 0.60 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2ppb h THR 433 CO -0.59 0.00 0.01 1.41 0.37 0.00 0.00 175.52 176.73 2ppb n HIS 434 N -2.22 0.00 -1.70 3.16 8.25 -0.30 -4.60 115.22 117.81 2ppb n HIS 434 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2ppb n HIS 434 Cb 0.24 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 2ppb n HIS 434 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2ppb s TYR 435 N -2.15 2.28 0.00 4.41 5.04 -1.08 -0.60 117.35 125.25 2ppb s TYR 435 Ca 0.00 0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.66 2ppb s TYR 435 Cb 0.00 -4.19 0.00 0.00 0.35 0.00 0.00 41.96 38.12 2ppb s TYR 435 CO 0.00 -4.82 0.00 0.41 -1.34 0.00 0.00 175.55 169.80 2ppb n GLY 436 N 4.20 0.00 0.11 8.97 0.00 -1.25 -4.56 105.19 112.67 2ppb n GLY 436 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 2ppb n GLY 436 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppb n ARG 437 N -1.76 0.61 -3.72 1.61 1.74 -1.01 -4.07 116.66 110.06 2ppb n ARG 437 Ca 0.00 0.12 -0.15 0.00 -0.77 0.00 0.00 57.85 57.05 2ppb n ARG 437 Cb 0.00 -1.45 -0.15 0.00 -1.02 0.00 0.00 32.46 29.84 2ppb n ARG 437 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2ppb s ILE 438 N -2.45 -0.13 0.33 0.55 1.01 0.23 -3.79 121.20 116.95 2ppb s ILE 438 Ca -0.29 0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 2ppb s ILE 438 Cb 0.08 -0.28 -0.12 0.00 0.01 0.00 0.00 42.46 42.15 2ppb s ILE 438 CO 0.54 0.10 1.39 0.00 0.00 0.00 0.00 174.94 176.97 2ppb n PRO 440 N 0.89 1.88 -0.06 0.00 -0.04 -1.26 -4.41 135.00 132.00 2ppb n PRO 440 Ca 0.05 -1.31 -0.10 0.00 -0.04 0.00 0.00 63.50 62.10 2ppb n PRO 440 Cb 0.36 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 2ppb n PRO 440 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ppb n VAL 441 N 0.55 0.64 0.00 0.52 0.31 -1.26 -4.75 118.33 114.33 2ppb n VAL 441 Ca 0.17 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2ppb n VAL 441 Cb 0.39 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 2ppb n VAL 441 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2ppb n GLU 442 N -3.11 0.00 -2.56 5.55 4.07 -1.26 -4.64 120.64 118.69 2ppb n GLU 442 Ca -0.21 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.57 2ppb n GLU 442 Cb 0.69 -1.18 -0.04 0.00 -0.06 0.00 0.00 31.44 30.85 2ppb n GLU 442 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 2ppb s THR 443 N -1.35 4.51 0.59 6.31 -1.32 -1.26 -4.51 115.64 118.60 2ppb s THR 443 Ca 0.00 1.25 -0.15 0.00 -1.21 0.00 0.00 61.69 61.58 2ppb s THR 443 Cb 0.00 -3.68 -0.04 0.00 -1.51 0.00 0.00 72.50 67.26 2ppb s THR 443 CO 0.00 -0.56 1.04 -2.84 -2.21 0.00 0.00 174.62 170.05 2ppb s PRO 444 N -3.78 3.41 -0.43 7.08 0.02 -1.26 -4.92 135.00 135.12 2ppb s PRO 444 Ca 0.59 1.12 -0.20 0.00 0.02 0.00 0.00 61.00 62.53 2ppb s PRO 444 Cb -0.10 -2.05 0.02 0.00 0.02 0.00 0.00 34.50 32.40 2ppb s PRO 444 CO 0.26 -0.73 0.62 -2.00 -0.33 0.00 0.00 177.00 174.82 2ppb s GLU 445 N -4.18 3.29 0.00 5.54 -6.30 -1.26 -4.42 118.70 111.37 2ppb s GLU 445 Ca 0.62 -0.38 0.00 0.00 -2.50 0.00 0.00 54.97 52.71 2ppb s GLU 445 Cb -0.15 -3.94 0.00 0.00 0.00 0.00 0.00 34.13 30.04 2ppb s GLU 445 CO 0.38 -0.97 0.00 0.41 0.02 0.00 0.00 175.26 175.10 2ppb n GLY 446 N 5.02 3.68 0.15 -1.50 0.00 -1.26 -4.93 105.19 106.34 2ppb n GLY 446 Ca -0.02 -1.68 0.02 0.00 0.00 0.00 0.00 46.02 44.33 2ppb n GLY 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppb n ALA 447 N -1.84 0.05 -2.78 4.61 0.00 -1.26 -1.71 120.51 117.58 2ppb n ALA 447 Ca 0.00 0.43 -0.43 0.00 0.00 0.00 0.00 53.44 53.44 2ppb n ALA 447 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 19.45 19.20 2ppb n ALA 447 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ppb s ASN 448 N -5.12 6.85 0.14 0.00 0.01 -1.26 -4.96 114.94 110.59 2ppb s ASN 448 Ca -0.06 -2.46 0.11 0.00 -0.71 0.00 0.00 52.86 49.74 2ppb s ASN 448 Cb 0.10 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.24 2ppb s ASN 448 CO 0.31 -1.03 -0.27 -0.51 -1.51 0.00 0.00 177.10 174.09 2ppb s ILE 449 N 3.04 2.26 0.00 0.60 2.07 -0.69 -4.61 121.20 123.87 2ppb s ILE 449 Ca 0.45 -1.78 0.00 0.00 -1.41 0.00 0.00 60.65 57.91 2ppb s ILE 449 Cb -0.01 -2.01 0.00 0.00 0.13 0.00 0.00 42.46 40.58 2ppb s ILE 449 CO -0.01 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 2ppb n GLY 450 N 0.85 1.12 0.08 1.50 0.00 -1.26 -4.74 105.19 102.75 2ppb n GLY 450 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 2ppb n GLY 450 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ppb h LEU 451 N 0.00 0.11 -8.33 0.99 3.38 -1.89 -3.42 115.31 106.16 2ppb h LEU 451 Ca 0.00 -0.16 -0.66 0.00 0.09 0.00 0.00 57.88 57.15 2ppb h LEU 451 Cb 0.00 -0.04 -0.33 0.00 0.09 0.00 0.00 40.66 40.39 2ppb h LEU 451 CO 0.00 1.14 -0.87 0.27 0.09 0.00 0.00 178.44 179.07 2ppb s ILE 452 N -2.64 1.92 -0.21 1.22 -4.36 -1.26 -1.60 121.20 114.27 2ppb s ILE 452 Ca -0.04 -0.95 -0.14 0.00 -0.26 0.00 0.00 60.65 59.25 2ppb s ILE 452 Cb 0.08 -1.65 0.06 0.00 1.25 0.00 0.00 42.46 42.20 2ppb s ILE 452 CO 0.83 0.53 0.54 0.28 0.24 0.00 0.00 174.94 177.36 2ppb s THR 453 N 0.24 -0.01 0.53 8.37 -1.32 0.24 -4.25 115.64 119.44 2ppb s THR 453 Ca -0.14 0.04 -0.19 0.00 -1.21 0.00 0.00 61.69 60.19 2ppb s THR 453 Cb -0.16 -0.77 -0.07 0.00 -1.51 0.00 0.00 72.50 69.99 2ppb s THR 453 CO 0.07 0.01 1.06 -0.44 -2.21 0.00 0.00 174.62 173.11 2ppb s SER 454 N 1.11 6.06 1.10 8.08 0.01 -1.26 0.15 113.70 128.95 2ppb s SER 454 Ca -0.07 1.94 -0.18 0.00 1.31 0.00 0.00 55.95 58.95 2ppb s SER 454 Cb -0.06 -2.56 0.25 0.00 0.21 0.00 0.00 66.02 63.87 2ppb s SER 454 CO -0.11 -0.98 1.24 -1.48 0.41 0.00 0.00 173.24 172.33 2ppb s LEU 455 N -3.84 1.78 0.84 2.44 0.05 -1.24 -3.65 118.68 115.06 2ppb s LEU 455 Ca 0.67 0.35 -0.07 0.00 0.05 0.00 0.00 54.13 55.12 2ppb s LEU 455 Cb -0.18 -2.18 0.17 0.00 -2.05 0.00 0.00 46.19 41.95 2ppb s LEU 455 CO 0.26 -3.49 1.15 0.00 -0.55 0.00 0.00 176.35 173.73 2ppb s ALA 456 N -3.53 3.06 0.00 1.48 0.00 -1.25 -4.21 121.76 117.31 2ppb s ALA 456 Ca 0.74 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2ppb s ALA 456 Cb -0.05 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.76 2ppb s ALA 456 CO 0.55 -1.96 0.31 0.00 0.00 0.00 0.00 175.76 174.66 2ppb n ALA 457 N -3.28 0.00 1.40 0.00 0.00 0.10 -3.62 120.51 115.11 2ppb n ALA 457 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.74 2ppb n ALA 457 Cb 0.60 0.09 0.49 0.00 0.00 0.00 0.00 19.45 20.63 2ppb n ALA 457 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ppb n TYR 458 N -0.50 0.00 -1.57 0.00 4.02 -1.26 -4.73 117.16 113.12 2ppb n TYR 458 Ca 0.00 0.00 -0.54 0.00 -0.01 0.00 0.00 57.90 57.35 2ppb n TYR 458 Cb 0.00 -0.07 -0.07 0.00 -0.02 0.00 0.00 39.34 39.19 2ppb n TYR 458 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ppb n ALA 459 N -0.32 -1.68 -3.57 -0.72 0.00 -1.24 -4.72 120.51 108.27 2ppb n ALA 459 Ca 0.16 0.54 -0.14 0.00 0.00 0.00 0.00 53.44 54.00 2ppb n ALA 459 Cb 0.34 -1.99 -0.15 0.00 0.00 0.00 0.00 19.45 17.64 2ppb n ALA 459 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2ppb s ARG 460 N 0.39 0.00 -0.22 0.00 1.04 -1.16 -4.87 118.95 114.14 2ppb s ARG 460 Ca 0.86 0.19 -0.29 0.00 -1.04 0.00 0.00 55.73 55.46 2ppb s ARG 460 Cb -1.04 -0.18 -0.02 0.00 -2.04 0.00 0.00 34.95 31.67 2ppb s ARG 460 CO 0.50 -0.13 1.44 0.08 -0.04 0.00 0.00 175.30 177.15 2ppb s VAL 461 N 0.86 3.95 0.00 4.99 1.01 -1.26 -3.19 120.40 126.76 2ppb s VAL 461 Ca -0.07 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2ppb s VAL 461 Cb -0.10 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2ppb s VAL 461 CO -0.03 -0.29 0.00 -0.90 0.00 0.00 0.00 175.10 173.88 2ppb n ASP 462 N 7.64 0.00 -0.12 3.32 5.75 -1.23 -4.94 116.55 126.97 2ppb n ASP 462 Ca 0.16 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.70 2ppb n ASP 462 Cb 0.45 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.45 2ppb n ASP 462 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2ppb n GLU 463 N 0.00 0.52 -3.99 0.11 -0.58 -1.26 -4.91 120.64 110.53 2ppb n GLU 463 Ca 0.00 0.21 -0.30 0.00 -0.42 0.00 0.00 57.16 56.65 2ppb n GLU 463 Cb 0.00 -1.37 -0.16 0.00 -0.57 0.00 0.00 31.44 29.34 2ppb n GLU 463 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2ppb s LEU 464 N -7.18 2.13 0.00 -4.62 2.96 -1.26 -4.96 118.68 105.76 2ppb s LEU 464 Ca -0.33 -0.81 0.00 0.00 -0.22 0.00 0.00 54.13 52.77 2ppb s LEU 464 Cb 0.12 -1.20 0.00 0.00 0.50 0.00 0.00 46.19 45.61 2ppb s LEU 464 CO 0.44 -0.13 0.00 0.61 -1.32 0.00 0.00 176.35 175.94 2ppb n GLY 465 N 4.71 0.00 3.14 7.98 0.00 -1.24 -4.83 105.19 114.95 2ppb n GLY 465 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2ppb n GLY 465 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ppb s PHE 466 N -0.36 3.09 -0.29 1.61 0.08 -1.26 0.24 117.98 121.08 2ppb s PHE 466 Ca 0.00 -1.85 -0.28 0.00 0.12 0.00 0.00 56.93 54.92 2ppb s PHE 466 Cb 0.00 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.43 2ppb s PHE 466 CO 0.00 -0.80 1.81 0.42 -0.10 0.00 0.00 175.22 176.55 2ppb s ILE 467 N 1.24 3.46 0.20 0.64 1.01 -1.26 -3.56 121.20 122.94 2ppb s ILE 467 Ca -0.02 0.48 0.04 0.00 0.00 0.00 0.00 60.65 61.15 2ppb s ILE 467 Cb -0.17 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 2ppb s ILE 467 CO -0.06 -0.35 0.29 -0.13 0.00 0.00 0.00 174.94 174.69 2ppb s ARG 468 N 5.53 3.32 0.06 2.79 0.52 -1.19 -4.14 118.95 125.84 2ppb s ARG 468 Ca 0.80 -0.75 0.05 0.00 -0.52 0.00 0.00 55.73 55.31 2ppb s ARG 468 Cb -0.24 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 2ppb s ARG 468 CO 0.33 0.46 -0.13 -0.08 0.02 0.00 0.00 175.30 175.90 2ppb s THR 469 N -1.90 1.04 0.27 0.02 -1.32 -0.34 -2.99 115.64 110.41 2ppb s THR 469 Ca 0.34 -1.18 -0.29 0.00 -1.21 0.00 0.00 61.69 59.35 2ppb s THR 469 Cb -0.10 -0.99 -0.09 0.00 -1.51 0.00 0.00 72.50 69.81 2ppb s THR 469 CO 0.28 -0.17 1.22 -2.16 -2.21 0.00 0.00 174.62 171.58 2ppb s PRO 470 N -1.52 4.48 -0.05 7.08 0.04 -1.26 -1.63 135.00 142.13 2ppb s PRO 470 Ca -0.02 2.00 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 2ppb s PRO 470 Cb -0.09 -3.16 0.04 0.00 0.04 0.00 0.00 34.50 31.32 2ppb s PRO 470 CO 0.02 -0.05 0.09 0.71 0.04 0.00 0.00 177.00 177.80 2ppb s TYR 471 N -0.73 -0.05 0.18 0.56 4.12 -1.19 -4.01 117.35 116.23 2ppb s TYR 471 Ca 0.50 0.33 -0.13 0.00 0.02 0.00 0.00 57.07 57.79 2ppb s TYR 471 Cb -0.35 -0.26 -0.07 0.00 -1.52 0.00 0.00 41.96 39.76 2ppb s TYR 471 CO 0.44 -0.16 0.55 -0.98 0.02 0.00 0.00 175.55 175.41 2ppb s ARG 472 N 1.54 3.92 0.40 -0.62 1.70 0.22 -1.07 118.95 125.03 2ppb s ARG 472 Ca -0.04 0.41 -0.25 0.00 -0.47 0.00 0.00 55.73 55.39 2ppb s ARG 472 Cb -0.12 -2.83 -0.09 0.00 -0.57 0.00 0.00 34.95 31.34 2ppb s ARG 472 CO -0.04 0.42 1.10 0.50 -1.08 0.00 0.00 175.30 176.20 2ppb s ARG 473 N -2.26 4.12 -0.34 3.89 6.06 -0.90 -0.56 118.95 128.96 2ppb s ARG 473 Ca 0.41 1.66 0.01 0.00 -2.50 0.00 0.00 55.73 55.30 2ppb s ARG 473 Cb -0.14 -2.61 0.14 0.00 0.06 0.00 0.00 34.95 32.40 2ppb s ARG 473 CO 0.20 -0.21 0.29 0.54 -2.50 0.00 0.00 175.30 173.61 2ppb s VAL 474 N -1.54 -0.20 -0.33 7.11 0.11 -0.97 -0.08 120.40 124.50 2ppb s VAL 474 Ca 0.57 -1.04 -0.26 0.00 -2.93 0.00 0.00 61.98 58.32 2ppb s VAL 474 Cb -0.26 -0.89 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 2ppb s VAL 474 CO 0.32 -0.68 0.95 -0.69 -3.33 0.00 0.00 175.10 171.67 2ppb s VAL 475 N 1.62 4.62 0.00 2.04 1.01 -0.50 -4.35 120.40 124.84 2ppb s VAL 475 Ca 0.15 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.55 2ppb s VAL 475 Cb -0.17 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.90 2ppb s VAL 475 CO -0.13 -0.42 0.00 0.61 0.00 0.00 0.00 175.10 175.16 2ppb n GLY 476 N 4.11 -0.44 1.02 4.51 0.00 -1.26 -2.58 105.19 110.54 2ppb n GLY 476 Ca 0.08 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2ppb n GLY 476 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppb n GLY 477 N 0.00 1.33 3.15 -0.02 0.00 -1.26 -4.71 105.19 103.68 2ppb n GLY 477 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2ppb n GLY 477 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 478 N 0.36 2.38 -0.01 1.61 1.01 -1.07 -2.30 120.40 122.38 2ppb s VAL 478 Ca 0.00 -1.02 -0.24 0.00 0.00 0.00 0.00 61.98 60.72 2ppb s VAL 478 Cb 0.00 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 2ppb s VAL 478 CO 0.00 0.37 0.71 -0.69 0.00 0.00 0.00 175.10 175.49 2ppb s VAL 479 N 1.29 4.89 0.36 2.92 1.01 0.21 -1.41 120.40 129.65 2ppb s VAL 479 Ca 0.02 1.49 0.08 0.00 0.00 0.00 0.00 61.98 63.57 2ppb s VAL 479 Cb -0.15 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2ppb s VAL 479 CO -0.09 0.33 0.30 -0.89 0.00 0.00 0.00 175.10 174.75 2ppb s THR 480 N 0.26 3.28 -0.53 3.92 2.01 0.88 -4.47 115.64 121.00 2ppb s THR 480 Ca 0.37 -1.39 0.14 0.00 0.31 0.00 0.00 61.69 61.12 2ppb s THR 480 Cb -0.19 -3.12 0.76 0.00 0.01 0.00 0.00 72.50 69.96 2ppb s THR 480 CO 0.20 -0.13 1.66 0.47 -0.69 0.00 0.00 174.62 176.13 2ppb n ASP 481 N -1.40 5.26 -4.80 3.53 10.43 -1.26 -4.56 116.55 123.75 2ppb n ASP 481 Ca -0.01 -2.76 -0.37 0.00 2.57 0.00 0.00 54.79 54.22 2ppb n ASP 481 Cb 0.60 -0.65 -0.06 0.00 1.84 0.00 0.00 41.12 42.85 2ppb n ASP 481 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 2ppb s GLU 482 N -2.45 4.01 0.08 -1.24 -6.30 -1.26 -4.98 118.70 106.56 2ppb s GLU 482 Ca 0.51 0.29 0.08 0.00 -2.50 0.00 0.00 54.97 53.35 2ppb s GLU 482 Cb 0.37 -3.30 -0.03 0.00 0.00 0.00 0.00 34.13 31.17 2ppb s GLU 482 CO 0.17 0.51 -0.22 0.14 0.02 0.00 0.00 175.26 175.89 2ppb s VAL 483 N -0.44 1.79 -0.26 3.70 -7.23 -1.26 -2.13 120.40 114.57 2ppb s VAL 483 Ca 0.21 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 2ppb s VAL 483 Cb -0.15 -1.59 0.08 0.00 0.56 0.00 0.00 36.38 35.28 2ppb s VAL 483 CO 0.10 0.10 0.02 -0.69 -0.31 0.00 0.00 175.10 174.31 2ppb s VAL 484 N -0.98 1.29 -0.52 1.32 1.01 -0.24 -4.95 120.40 117.34 2ppb s VAL 484 Ca 0.08 -1.31 -0.27 0.00 0.00 0.00 0.00 61.98 60.48 2ppb s VAL 484 Cb -0.10 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 2ppb s VAL 484 CO 0.03 -0.34 1.96 -0.31 0.00 0.00 0.00 175.10 176.45 2ppb s TYR 485 N 1.46 1.56 -0.01 5.22 1.51 -1.26 -3.17 117.35 122.67 2ppb s TYR 485 Ca 0.01 0.90 -0.07 0.00 -1.01 0.00 0.00 57.07 56.91 2ppb s TYR 485 Cb -0.18 -3.99 -0.05 0.00 -0.11 0.00 0.00 41.96 37.63 2ppb s TYR 485 CO -0.12 -2.54 0.26 -1.64 -1.11 0.00 0.00 175.55 170.40 2ppb s MET 486 N 6.96 3.58 0.69 -0.62 -1.94 -0.65 -4.69 119.30 122.63 2ppb s MET 486 Ca 0.77 -0.07 -0.15 0.00 -1.71 0.00 0.00 55.69 54.53 2ppb s MET 486 Cb -0.16 -3.10 0.02 0.00 2.01 0.00 0.00 34.83 33.60 2ppb s MET 486 CO 0.25 0.67 1.15 0.99 -0.01 0.00 0.00 175.02 178.07 2ppb s THR 487 N -1.26 2.81 0.38 2.05 2.01 -1.26 -1.20 115.64 119.18 2ppb s THR 487 Ca 0.26 0.39 0.10 0.00 0.31 0.00 0.00 61.69 62.75 2ppb s THR 487 Cb -0.13 -2.93 0.32 0.00 0.01 0.00 0.00 72.50 69.77 2ppb s THR 487 CO 0.15 -0.22 1.93 0.00 -0.69 0.00 0.00 174.62 175.79 2ppb h ALA 488 N -0.09 1.87 0.11 7.40 0.00 -1.93 -2.74 119.26 123.88 2ppb h ALA 488 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2ppb h ALA 488 Cb 1.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ppb h ALA 488 CO 0.52 -0.04 -0.05 1.79 0.00 0.00 0.00 179.25 181.47 2ppb h THR 489 N 0.62 0.99 -0.63 0.00 1.35 -1.95 -3.31 112.91 109.98 2ppb h THR 489 Ca 0.35 -1.30 0.09 0.00 -0.55 0.00 0.00 66.41 65.00 2ppb h THR 489 Cb 0.54 1.70 -0.04 0.00 -1.73 0.00 0.00 68.15 68.62 2ppb h THR 489 CO -0.13 0.27 0.42 -0.33 -0.25 0.00 0.00 175.52 175.50 2ppb h GLU 490 N -0.85 0.50 -0.56 4.72 5.08 -1.91 -1.74 114.58 119.82 2ppb h GLU 490 Ca -0.02 -0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.48 2ppb h GLU 490 Cb 0.56 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2ppb h GLU 490 CO 0.03 0.33 0.43 1.49 -1.00 0.00 0.00 179.01 180.29 2ppb h GLU 491 N 0.51 0.00 -0.06 2.33 4.81 -1.57 0.32 114.58 120.92 2ppb h GLU 491 Ca 0.28 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.37 2ppb h GLU 491 Cb 0.45 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2ppb h GLU 491 CO -0.09 0.00 -0.59 -0.44 -0.73 0.00 0.00 179.01 177.16 2ppb h ASP 492 N 0.00 0.24 0.23 1.04 3.32 -1.47 -3.10 116.42 116.69 2ppb h ASP 492 Ca 0.27 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2ppb h ASP 492 Cb 1.13 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 2ppb h ASP 492 CO -0.00 0.78 -0.00 -0.09 -1.72 0.00 0.00 179.24 178.21 2ppb h ARG 493 N 0.16 0.00 -5.96 3.56 2.43 -1.05 -3.42 114.38 110.10 2ppb h ARG 493 Ca -0.00 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.58 2ppb h ARG 493 Cb 1.09 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.53 2ppb h ARG 493 CO 0.09 0.00 -0.60 0.71 -1.51 0.00 0.00 179.97 178.67 2ppb s TYR 494 N -4.05 2.55 -0.49 2.20 1.51 -1.17 -5.09 117.35 112.80 2ppb s TYR 494 Ca -0.04 -0.49 -0.15 0.00 -1.01 0.00 0.00 57.07 55.38 2ppb s TYR 494 Cb 0.12 -1.60 0.09 0.00 -0.11 0.00 0.00 41.96 40.47 2ppb s TYR 494 CO 0.44 0.43 0.43 0.99 -1.11 0.00 0.00 175.55 176.73 2ppb s THR 495 N -2.56 5.18 0.08 -0.71 2.01 -1.26 -4.55 115.64 113.83 2ppb s THR 495 Ca 0.36 -1.23 0.03 0.00 0.31 0.00 0.00 61.69 61.16 2ppb s THR 495 Cb 0.02 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2ppb s THR 495 CO 0.20 -0.68 0.10 -0.63 -0.69 0.00 0.00 174.62 172.92 2ppb s ILE 496 N 1.62 4.68 0.37 1.82 1.09 -1.25 -2.05 121.20 127.48 2ppb s ILE 496 Ca 0.04 -0.71 0.08 0.00 -1.10 0.00 0.00 60.65 58.96 2ppb s ILE 496 Cb -0.26 -3.26 -0.07 0.00 -1.06 0.00 0.00 42.46 37.81 2ppb s ILE 496 CO 0.05 0.13 -0.04 0.00 -0.10 0.00 0.00 174.94 174.98 2ppb s ALA 497 N -1.41 3.03 0.56 9.38 0.00 0.85 0.18 121.76 134.34 2ppb s ALA 497 Ca 0.30 -2.19 -0.11 0.00 0.00 0.00 0.00 51.96 49.96 2ppb s ALA 497 Cb -0.12 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 2ppb s ALA 497 CO 0.23 -0.03 0.96 -0.65 0.00 0.00 0.00 175.76 176.27 2ppb s GLN 498 N -3.67 3.69 0.39 0.00 -1.52 -1.22 -0.36 119.66 116.97 2ppb s GLN 498 Ca 0.34 0.69 0.21 0.00 -1.95 0.00 0.00 55.36 54.65 2ppb s GLN 498 Cb 0.06 -2.16 0.56 0.00 -0.22 0.00 0.00 33.01 31.25 2ppb s GLN 498 CO 0.17 -0.40 1.67 0.00 -0.25 0.00 0.00 175.29 176.48 2ppb h ALA 499 N 0.18 0.90 0.00 6.09 0.00 -1.93 -3.17 119.26 121.33 2ppb h ALA 499 Ca -0.45 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2ppb h ALA 499 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2ppb h ALA 499 CO 0.62 0.34 0.00 0.09 0.00 0.00 0.00 179.25 180.30 2ppb n ASN 500 N -3.28 0.00 -4.65 0.00 4.13 -1.26 -4.76 115.26 105.45 2ppb n ASN 500 Ca 0.01 -0.06 -0.42 0.00 1.68 0.00 0.00 54.58 55.79 2ppb n ASN 500 Cb 0.54 -0.16 -0.03 0.00 -1.54 0.00 0.00 39.78 38.60 2ppb n ASN 500 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2ppb s THR 501 N -2.31 3.38 -0.04 3.41 -4.23 -1.20 -4.91 115.64 109.75 2ppb s THR 501 Ca 0.12 0.45 -0.39 0.00 -1.18 0.00 0.00 61.69 60.69 2ppb s THR 501 Cb 0.07 -3.34 -0.17 0.00 1.34 0.00 0.00 72.50 70.39 2ppb s THR 501 CO 0.13 -0.10 1.38 -2.65 -0.54 0.00 0.00 174.62 172.84 2ppb n PRO 502 N 7.58 0.82 -4.01 3.99 -0.02 -1.26 -4.87 135.00 137.23 2ppb n PRO 502 Ca 0.20 0.30 -0.15 0.00 -2.02 0.00 0.00 63.50 61.83 2ppb n PRO 502 Cb 0.43 -1.91 -0.15 0.00 -0.02 0.00 0.00 33.50 31.86 2ppb n PRO 502 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2ppb s LEU 503 N 1.13 1.80 0.00 2.45 0.20 -1.26 -1.10 118.68 121.89 2ppb s LEU 503 Ca 0.90 -0.05 0.23 0.00 0.69 0.00 0.00 54.13 55.90 2ppb s LEU 503 Cb -1.08 -0.17 0.16 0.00 -0.43 0.00 0.00 46.19 44.67 2ppb s LEU 503 CO 0.55 0.00 1.18 -0.62 -0.29 0.00 0.00 176.35 177.17 2ppb n GLU 504 N 3.29 0.34 0.00 1.98 1.02 -1.07 -4.98 120.64 121.22 2ppb n GLU 504 Ca -0.16 -0.25 0.00 0.00 -0.02 0.00 0.00 57.16 56.73 2ppb n GLU 504 Cb 0.57 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 2ppb n GLU 504 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ppb n GLY 505 N 1.46 -0.34 0.11 0.62 0.00 -1.26 -4.81 105.19 100.98 2ppb n GLY 505 Ca 0.07 0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.29 2ppb n GLY 505 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ppb n ASN 506 N 0.00 0.96 -4.60 1.61 4.13 -1.26 -4.69 115.26 111.40 2ppb n ASN 506 Ca 0.00 -0.98 -0.36 0.00 1.68 0.00 0.00 54.58 54.92 2ppb n ASN 506 Cb 0.00 0.33 -0.10 0.00 -1.54 0.00 0.00 39.78 38.46 2ppb n ASN 506 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2ppb s ARG 507 N -0.67 3.95 0.57 3.52 6.06 -1.26 0.63 118.95 131.76 2ppb s ARG 507 Ca 0.04 -0.33 -0.20 0.00 -2.50 0.00 0.00 55.73 52.73 2ppb s ARG 507 Cb 0.03 -3.45 -0.04 0.00 0.06 0.00 0.00 34.95 31.55 2ppb s ARG 507 CO 0.08 0.02 1.25 -0.89 -2.50 0.00 0.00 175.30 173.27 2ppb n ILE 508 N 4.37 4.00 0.44 4.11 2.08 -0.97 -2.59 119.36 130.80 2ppb n ILE 508 Ca -0.15 -0.50 0.05 0.00 0.56 0.00 0.00 62.75 62.70 2ppb n ILE 508 Cb 0.52 -1.50 -0.04 0.00 -0.75 0.00 0.00 39.64 37.87 2ppb n ILE 508 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ppb n ALA 509 N -1.34 3.12 -3.65 -1.39 0.00 -0.26 -4.87 120.51 112.13 2ppb n ALA 509 Ca 0.12 -0.31 -0.16 0.00 0.00 0.00 0.00 53.44 53.08 2ppb n ALA 509 Cb 0.46 -0.34 -0.16 0.00 0.00 0.00 0.00 19.45 19.40 2ppb n ALA 509 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ppb s ALA 510 N -1.74 0.28 0.07 0.00 0.00 -1.26 -5.03 121.76 114.08 2ppb s ALA 510 Ca 0.05 0.16 -0.20 0.00 0.00 0.00 0.00 51.96 51.97 2ppb s ALA 510 Cb 0.07 -0.29 -0.07 0.00 0.00 0.00 0.00 23.12 22.84 2ppb s ALA 510 CO 0.35 -0.06 1.32 1.49 0.00 0.00 0.00 175.76 178.86 2ppb h GLU 511 N 7.15 -0.28 -5.20 0.00 4.22 -1.93 -3.21 114.58 115.34 2ppb h GLU 511 Ca -0.42 0.02 -0.70 0.00 0.08 0.00 0.00 59.36 58.34 2ppb h GLU 511 Cb 1.14 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.30 2ppb h GLU 511 CO 0.48 -0.18 1.40 1.03 -2.18 0.00 0.00 179.01 179.56 2ppb s ARG 512 N -4.57 3.89 0.06 1.92 0.52 -1.26 -3.35 118.95 116.15 2ppb s ARG 512 Ca -0.09 -2.09 0.07 0.00 -0.52 0.00 0.00 55.73 53.10 2ppb s ARG 512 Cb 0.05 -5.15 -0.03 0.00 0.52 0.00 0.00 34.95 30.33 2ppb s ARG 512 CO 0.36 -1.92 -0.15 0.54 0.02 0.00 0.00 175.30 174.15 2ppb s VAL 513 N 2.77 3.00 0.32 3.52 0.11 -0.84 -4.95 120.40 124.33 2ppb s VAL 513 Ca 0.43 -1.19 -0.28 0.00 -2.93 0.00 0.00 61.98 58.01 2ppb s VAL 513 Cb -0.02 -2.30 -0.10 0.00 -1.53 0.00 0.00 36.38 32.43 2ppb s VAL 513 CO -0.02 0.28 1.16 -0.69 -3.33 0.00 0.00 175.10 172.50 2ppb s VAL 514 N -1.01 3.26 0.11 2.04 1.01 -1.26 -1.58 120.40 122.97 2ppb s VAL 514 Ca 0.16 1.22 -0.16 0.00 0.00 0.00 0.00 61.98 63.20 2ppb s VAL 514 Cb -0.11 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.55 2ppb s VAL 514 CO 0.07 0.25 0.39 0.00 0.00 0.00 0.00 175.10 175.81 2ppb s ALA 515 N -1.23 -0.90 -0.29 5.51 0.00 -0.13 -3.46 121.76 121.26 2ppb s ALA 515 Ca 0.48 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.40 2ppb s ALA 515 Cb -0.33 0.63 0.09 0.00 0.00 0.00 0.00 23.12 23.51 2ppb s ALA 515 CO 0.43 -0.61 0.09 1.03 0.00 0.00 0.00 175.76 176.70 2ppb s ARG 516 N -3.60 0.64 0.00 0.00 1.81 0.46 -0.37 118.95 117.89 2ppb s ARG 516 Ca 0.02 -0.88 0.00 0.00 -1.72 0.00 0.00 55.73 53.14 2ppb s ARG 516 Cb 0.02 -1.90 0.00 0.00 -0.45 0.00 0.00 34.95 32.62 2ppb s ARG 516 CO -0.10 -0.93 0.55 0.54 -0.68 0.00 0.00 175.30 174.68 2ppb n ARG 517 N 4.94 0.00 -3.45 3.54 3.00 -1.13 -3.84 116.66 119.72 2ppb n ARG 517 Ca -0.04 0.47 -0.25 0.00 -0.01 0.00 0.00 57.85 58.01 2ppb n ARG 517 Cb 0.43 -1.05 -0.11 0.00 0.00 0.00 0.00 32.46 31.72 2ppb n ARG 517 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2ppb s LYS 518 N -1.21 0.50 -0.65 5.56 2.20 -1.26 -4.58 119.74 120.29 2ppb s LYS 518 Ca 0.00 -1.02 0.00 0.00 -0.36 0.00 0.00 55.97 54.59 2ppb s LYS 518 Cb 0.00 -1.10 0.00 0.00 -1.51 0.00 0.00 37.83 35.22 2ppb s LYS 518 CO 0.00 -1.17 0.00 0.41 -0.36 0.00 0.00 175.35 174.23 2ppb n GLY 519 N 4.36 0.59 3.02 5.54 0.00 -1.26 -4.90 105.19 112.54 2ppb n GLY 519 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2ppb n GLY 519 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ppb s GLU 520 N -2.11 2.33 -0.01 1.61 0.41 -1.26 -5.09 118.70 114.58 2ppb s GLU 520 Ca 0.00 -0.60 -0.30 0.00 -0.41 0.00 0.00 54.97 53.66 2ppb s GLU 520 Cb 0.00 -2.17 -0.08 0.00 -1.78 0.00 0.00 34.13 30.10 2ppb s GLU 520 CO 0.00 -0.25 1.91 -2.14 -0.49 0.00 0.00 175.26 174.29 2ppb s PRO 521 N 1.46 4.06 -0.03 0.39 0.02 -1.26 -2.85 135.00 136.79 2ppb s PRO 521 Ca 0.04 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.52 2ppb s PRO 521 Cb -0.13 -4.14 0.03 0.00 0.02 0.00 0.00 34.50 30.28 2ppb s PRO 521 CO -0.11 -1.03 0.01 0.08 -0.33 0.00 0.00 177.00 175.62 2ppb s VAL 522 N 4.69 0.13 -0.76 3.83 1.01 0.50 -4.98 120.40 124.83 2ppb s VAL 522 Ca 0.86 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.71 2ppb s VAL 522 Cb -0.40 -0.25 0.04 0.00 0.00 0.00 0.00 36.38 35.78 2ppb s VAL 522 CO 0.38 0.14 1.22 -0.51 0.00 0.00 0.00 175.10 176.34 2ppb s ILE 523 N 1.14 3.91 0.50 2.22 2.07 -1.26 -0.96 121.20 128.82 2ppb s ILE 523 Ca -0.08 0.05 0.09 0.00 -1.41 0.00 0.00 60.65 59.29 2ppb s ILE 523 Cb -0.13 -4.88 0.05 0.00 0.13 0.00 0.00 42.46 37.63 2ppb s ILE 523 CO -0.02 -1.77 0.67 0.54 -1.91 0.00 0.00 174.94 172.45 2ppb s VAL 524 N 5.18 2.52 0.23 4.00 0.11 -0.62 -4.87 120.40 126.95 2ppb s VAL 524 Ca 0.33 -1.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.38 2ppb s VAL 524 Cb -0.09 -2.55 -0.03 0.00 -1.53 0.00 0.00 36.38 32.18 2ppb s VAL 524 CO 0.10 0.00 0.37 -0.94 -3.33 0.00 0.00 175.10 171.31 2ppb s SER 525 N -4.50 6.33 0.63 3.54 1.04 -1.26 -1.98 113.70 117.51 2ppb s SER 525 Ca 0.57 0.19 0.31 0.00 0.48 0.00 0.00 55.95 57.50 2ppb s SER 525 Cb -0.07 -1.91 1.68 0.00 0.10 0.00 0.00 66.02 65.82 2ppb s SER 525 CO 0.35 -0.07 2.00 -0.65 0.98 0.00 0.00 173.24 175.85 2ppb h PRO 526 N 1.43 0.00 0.00 4.02 0.11 -1.78 -0.63 132.00 135.16 2ppb h PRO 526 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ppb h PRO 526 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2ppb h PRO 526 CO 0.64 0.00 -0.25 0.93 -0.21 0.00 0.00 178.00 179.11 2ppb h GLU 527 N 0.00 0.00 0.00 1.05 3.07 -1.92 -3.31 114.58 113.47 2ppb h GLU 527 Ca 0.06 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.89 2ppb h GLU 527 Cb 0.67 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 2ppb h GLU 527 CO -0.00 0.00 -1.76 0.39 -1.40 0.00 0.00 179.01 176.24 2ppb n GLU 528 N -2.87 0.65 -1.54 2.33 1.02 -0.26 -4.81 120.64 115.17 2ppb n GLU 528 Ca 0.03 -0.08 -0.29 0.00 -0.02 0.00 0.00 57.16 56.80 2ppb n GLU 528 Cb 0.52 -1.61 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 2ppb n GLU 528 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2ppb n VAL 529 N -2.43 -0.04 0.04 2.62 0.31 -1.13 -4.74 118.33 112.96 2ppb n VAL 529 Ca -0.06 -0.55 -0.14 0.00 -0.01 0.00 0.00 64.34 63.59 2ppb n VAL 529 Cb 0.62 -1.88 -0.14 0.00 -0.91 0.00 0.00 33.84 31.54 2ppb n VAL 529 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2ppb h GLU 530 N 15.46 0.16 -3.68 5.55 5.08 -1.61 -3.43 114.58 132.10 2ppb h GLU 530 Ca -0.11 -0.27 -0.15 0.00 -1.00 0.00 0.00 59.36 57.83 2ppb h GLU 530 Cb 1.19 0.10 -0.20 0.00 0.50 0.00 0.00 28.75 30.33 2ppb h GLU 530 CO 1.21 0.97 -0.56 -0.06 -1.00 0.00 0.00 179.01 179.57 2ppb s PHE 531 N -2.63 0.12 0.14 4.33 0.08 -1.06 -2.30 117.98 116.67 2ppb s PHE 531 Ca -0.07 -0.29 0.08 0.00 0.12 0.00 0.00 56.93 56.77 2ppb s PHE 531 Cb 0.08 -0.10 -0.04 0.00 -0.57 0.00 0.00 43.02 42.39 2ppb s PHE 531 CO 0.84 -0.26 -0.18 1.41 -0.10 0.00 0.00 175.22 176.93 2ppb s MET 532 N -1.50 1.17 0.45 0.44 -2.45 0.28 -0.10 119.30 117.58 2ppb s MET 532 Ca -0.15 -1.30 -0.23 0.00 -1.25 0.00 0.00 55.69 52.77 2ppb s MET 532 Cb -0.08 -1.23 -0.08 0.00 1.25 0.00 0.00 34.83 34.69 2ppb s MET 532 CO 0.00 0.26 1.14 -0.51 1.05 0.00 0.00 175.02 176.96 2ppb s ASP 533 N -2.41 6.27 0.02 1.11 1.11 0.51 -0.61 116.67 122.67 2ppb s ASP 533 Ca 0.11 2.24 -0.25 0.00 0.18 0.00 0.00 52.55 54.83 2ppb s ASP 533 Cb -0.07 -2.60 -0.17 0.00 1.07 0.00 0.00 42.92 41.15 2ppb s ASP 533 CO 0.05 -0.84 1.36 0.58 1.18 0.00 0.00 175.17 177.51 2ppb h VAL 534 N 1.90 0.90 -1.68 -1.27 2.07 -1.91 -3.40 116.25 112.86 2ppb h VAL 534 Ca -0.49 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 66.49 2ppb h VAL 534 Cb 1.24 1.25 -0.23 0.00 -1.52 0.00 0.00 31.29 32.03 2ppb h VAL 534 CO 0.60 0.13 0.44 -0.94 0.02 0.00 0.00 177.57 177.82 2ppb s SER 535 N -5.21 -0.46 0.47 0.57 1.04 -1.26 -4.72 113.70 104.13 2ppb s SER 535 Ca -0.15 0.59 0.27 0.00 0.48 0.00 0.00 55.95 57.15 2ppb s SER 535 Cb 0.03 0.50 1.33 0.00 0.10 0.00 0.00 66.02 67.98 2ppb s SER 535 CO 0.60 -0.36 1.80 -0.65 0.98 0.00 0.00 173.24 175.61 2ppb h PRO 536 N 3.03 0.18 -0.87 4.02 0.11 -1.98 0.03 132.00 136.52 2ppb h PRO 536 Ca -0.22 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.95 2ppb h PRO 536 Cb 1.16 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 2ppb h PRO 536 CO 0.28 0.12 0.53 0.87 -0.21 0.00 0.00 178.00 179.59 2ppb h LYS 537 N 0.19 0.91 -0.24 1.05 6.56 -1.95 -1.87 116.57 121.22 2ppb h LYS 537 Ca 0.56 -0.05 0.07 0.00 -1.06 0.00 0.00 60.65 60.17 2ppb h LYS 537 Cb 1.84 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 33.28 2ppb h LYS 537 CO -0.15 0.60 0.31 -0.56 -2.06 0.00 0.00 179.45 177.60 2ppb h GLN 538 N 0.94 0.00 0.00 3.15 3.07 -1.39 0.25 115.11 121.12 2ppb h GLN 538 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.13 2ppb h GLN 538 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.81 2ppb h GLN 538 CO -0.20 0.00 0.00 0.28 0.09 0.00 0.00 178.83 179.00 2ppb n VAL 539 N -3.61 0.70 -4.45 1.86 0.31 -0.70 -3.80 118.33 108.64 2ppb n VAL 539 Ca 0.03 0.10 -0.23 0.00 -0.01 0.00 0.00 64.34 64.23 2ppb n VAL 539 Cb 0.45 -0.90 -0.08 0.00 -0.91 0.00 0.00 33.84 32.40 2ppb n VAL 539 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2ppb s PHE 540 N -3.13 1.76 0.55 3.52 0.40 0.86 -4.42 117.98 117.51 2ppb s PHE 540 Ca 0.08 -1.35 -0.06 0.00 -0.60 0.00 0.00 56.93 55.00 2ppb s PHE 540 Cb 0.11 -1.05 -0.02 0.00 0.51 0.00 0.00 43.02 42.58 2ppb s PHE 540 CO 0.42 -0.41 0.87 -1.54 0.70 0.00 0.00 175.22 175.25 2ppb s SER 541 N -3.53 5.93 0.11 1.36 1.04 -1.26 0.00 113.70 117.36 2ppb s SER 541 Ca 0.29 0.88 -0.25 0.00 0.48 0.00 0.00 55.95 57.35 2ppb s SER 541 Cb 0.03 -2.01 -0.08 0.00 0.10 0.00 0.00 66.02 64.05 2ppb s SER 541 CO 0.17 -0.85 1.67 0.58 0.98 0.00 0.00 173.24 175.79 2ppb h VAL 542 N -0.03 0.58 -0.97 5.02 2.07 -1.82 0.42 116.25 121.51 2ppb h VAL 542 Ca -0.46 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.23 2ppb h VAL 542 Cb 1.23 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 31.49 2ppb h VAL 542 CO 0.61 0.00 0.61 -1.13 0.02 0.00 0.00 177.57 177.68 2ppb h ASN 543 N -0.33 0.74 0.28 0.57 -1.24 -1.95 -1.67 115.58 111.98 2ppb h ASN 543 Ca 0.04 0.07 -0.34 0.00 0.71 0.00 0.00 56.30 56.78 2ppb h ASN 543 Cb 0.37 -0.07 0.04 0.00 0.73 0.00 0.00 38.32 39.38 2ppb h ASN 543 CO -0.12 0.32 -1.48 0.74 -1.29 0.00 0.00 177.43 175.59 2ppb h THR 544 N 0.76 1.28 -1.45 -3.57 2.02 -1.80 -3.30 112.91 106.86 2ppb h THR 544 Ca 0.52 -2.72 0.43 0.00 0.77 0.00 0.00 66.41 65.41 2ppb h THR 544 Cb 0.82 3.03 -0.08 0.00 -1.74 0.00 0.00 68.15 70.18 2ppb h THR 544 CO -0.29 0.82 1.01 -1.13 0.37 0.00 0.00 175.52 176.30 2ppb h ASN 545 N 0.14 0.09 0.00 4.18 -1.24 0.05 0.13 115.58 118.94 2ppb h ASN 545 Ca -0.25 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.79 2ppb h ASN 545 Cb 2.16 0.03 0.00 0.00 0.73 0.00 0.00 38.32 41.24 2ppb h ASN 545 CO 0.27 -0.03 0.00 0.18 -1.29 0.00 0.00 177.43 176.56 2ppb n LEU 546 N -4.25 0.00 -4.67 0.34 4.77 -1.14 -4.74 117.00 107.31 2ppb n LEU 546 Ca 0.34 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.91 2ppb n LEU 546 Cb 1.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.53 2ppb n LEU 546 CO 0.36 0.00 0.48 -0.63 -1.33 0.00 0.00 177.39 176.27 2ppb s ILE 547 N -2.00 4.96 0.00 -0.08 1.01 0.44 -4.76 121.20 120.77 2ppb s ILE 547 Ca 0.21 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.25 2ppb s ILE 547 Cb 0.10 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.53 2ppb s ILE 547 CO 0.16 0.08 0.25 -2.65 0.00 0.00 0.00 174.94 172.78 2ppb n PRO 548 N 5.06 0.00 -3.10 2.79 -0.02 -1.26 -3.69 135.00 134.78 2ppb n PRO 548 Ca 0.01 0.20 -0.40 0.00 -2.02 0.00 0.00 63.50 61.29 2ppb n PRO 548 Cb 0.49 -0.75 -0.01 0.00 -0.02 0.00 0.00 33.50 33.21 2ppb n PRO 548 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2ppb n PHE 549 N -0.45 2.64 0.29 6.00 3.72 -1.26 -4.40 117.46 124.00 2ppb n PHE 549 Ca 0.00 -2.93 0.19 0.00 -0.05 0.00 0.00 57.45 54.65 2ppb n PHE 549 Cb 0.00 -1.15 0.95 0.00 -0.94 0.00 0.00 39.48 38.34 2ppb n PHE 549 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2ppb h LEU 550 N 5.27 0.00 -0.84 4.37 5.85 -1.70 -1.85 115.31 126.40 2ppb h LEU 550 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2ppb h LEU 550 Cb 0.63 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2ppb h LEU 550 CO 1.23 0.00 0.00 -1.84 -0.34 0.00 0.00 178.44 177.49 2ppb n GLU 551 N -2.82 0.19 -0.46 1.25 0.28 -1.23 -2.95 120.64 114.90 2ppb n GLU 551 Ca -0.02 0.46 0.05 0.00 -0.16 0.00 0.00 57.16 57.50 2ppb n GLU 551 Cb 0.10 -1.90 0.20 0.00 1.43 0.00 0.00 31.44 31.27 2ppb n GLU 551 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2ppb n HIS 552 N -2.27 0.59 -4.40 -1.84 8.25 -0.69 -5.02 115.22 109.84 2ppb n HIS 552 Ca 0.01 -1.20 -0.22 0.00 -0.26 0.00 0.00 57.72 56.06 2ppb n HIS 552 Cb 0.20 -0.31 -0.13 0.00 1.12 0.00 0.00 29.99 30.87 2ppb n HIS 552 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2ppb s ASP 553 N -2.55 2.07 0.10 0.41 -0.00 -1.15 -2.03 116.67 113.52 2ppb s ASP 553 Ca 0.39 -0.54 -0.30 0.00 -0.00 0.00 0.00 52.55 52.10 2ppb s ASP 553 Cb 0.35 -0.13 -0.06 0.00 -0.00 0.00 0.00 42.92 43.07 2ppb s ASP 553 CO 0.02 0.06 1.20 -0.62 -0.00 0.00 0.00 175.17 175.83 2ppb s ASP 554 N -1.38 7.09 0.46 0.27 2.15 0.21 -4.89 116.67 120.58 2ppb s ASP 554 Ca 0.04 2.08 0.31 0.00 0.43 0.00 0.00 52.55 55.42 2ppb s ASP 554 Cb -0.09 -2.59 1.42 0.00 -0.30 0.00 0.00 42.92 41.37 2ppb s ASP 554 CO 0.02 -0.43 1.66 0.00 -0.17 0.00 0.00 175.17 176.26 2ppb h ALA 555 N 6.28 2.84 0.01 3.66 0.00 -1.96 -0.57 119.26 129.52 2ppb h ALA 555 Ca -0.43 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2ppb h ALA 555 Cb 1.21 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2ppb h ALA 555 CO 0.79 -1.39 -0.01 -0.97 0.00 0.00 0.00 179.25 177.68 2ppb h ASN 556 N 0.12 -0.02 1.09 0.00 -0.73 -1.95 -2.67 115.58 111.42 2ppb h ASN 556 Ca 0.76 -0.65 0.00 0.00 1.87 0.00 0.00 56.30 58.28 2ppb h ASN 556 Cb 2.50 0.00 0.00 0.00 0.27 0.00 0.00 38.32 41.10 2ppb h ASN 556 CO -0.29 0.66 0.00 0.03 -0.37 0.00 0.00 177.43 177.45 2ppb h ARG 557 N -0.70 0.00 -0.17 6.67 -0.00 -1.69 -2.78 114.38 115.71 2ppb h ARG 557 Ca -0.00 0.00 -0.16 0.00 -0.50 0.00 0.00 59.98 59.32 2ppb h ARG 557 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.63 2ppb h ARG 557 CO 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 179.97 179.42 2ppb h ALA 558 N 2.28 0.73 -0.14 0.04 0.00 -1.09 -2.62 119.26 118.46 2ppb h ALA 558 Ca 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.41 2ppb h ALA 558 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2ppb h ALA 558 CO 0.00 0.69 0.05 1.25 0.00 0.00 0.00 179.25 181.24 2ppb h LEU 559 N 0.39 0.06 -1.92 0.00 6.46 -1.18 0.04 115.31 119.17 2ppb h LEU 559 Ca 0.01 0.01 0.10 0.00 -0.12 0.00 0.00 57.88 57.88 2ppb h LEU 559 Cb 1.08 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.00 2ppb h LEU 559 CO 0.10 0.06 0.29 0.24 -0.62 0.00 0.00 178.44 178.51 2ppb h MET 560 N 0.12 0.09 0.00 1.25 2.86 -1.53 -2.13 114.93 115.59 2ppb h MET 560 Ca 0.06 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2ppb h MET 560 Cb 0.03 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2ppb h MET 560 CO -0.06 0.06 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2ppb n GLY 561 N -1.59 -2.84 0.36 8.32 0.00 -0.07 -1.39 105.19 107.99 2ppb n GLY 561 Ca 0.07 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.41 2ppb n GLY 561 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ppb n SER 562 N -0.36 0.22 -0.08 1.61 7.64 -0.79 0.90 113.62 122.75 2ppb n SER 562 Ca 0.00 1.26 -0.13 0.00 1.01 0.00 0.00 58.87 61.01 2ppb n SER 562 Cb 0.00 -0.62 -0.05 0.00 -1.01 0.00 0.00 64.21 62.54 2ppb n SER 562 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2ppb h ASN 563 N 0.00 0.59 -0.95 6.43 4.21 -1.38 -3.16 115.58 121.32 2ppb h ASN 563 Ca 0.74 -0.44 0.12 0.00 1.21 0.00 0.00 56.30 57.94 2ppb h ASN 563 Cb 2.26 -0.16 -0.08 0.00 -1.12 0.00 0.00 38.32 39.22 2ppb h ASN 563 CO -0.48 0.90 0.61 0.00 -1.29 0.00 0.00 177.43 177.16 2ppb h MET 564 N 0.28 0.86 -0.56 0.81 -0.00 0.18 -1.36 114.93 115.13 2ppb h MET 564 Ca 0.05 -0.05 0.03 0.00 -0.00 0.00 0.00 59.70 59.73 2ppb h MET 564 Cb 0.70 -0.19 -0.03 0.00 -0.00 0.00 0.00 31.60 32.08 2ppb h MET 564 CO 0.05 0.57 0.37 1.96 -0.00 0.00 0.00 176.91 179.86 2ppb h GLN 565 N 0.88 0.62 0.00 -0.10 4.20 -1.50 0.32 115.11 119.54 2ppb h GLN 565 Ca 0.47 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.14 2ppb h GLN 565 Cb 0.55 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2ppb h GLN 565 CO -0.23 0.41 0.00 2.41 -0.67 0.00 0.00 178.83 180.75 2ppb n THR 566 N -4.47 0.70 0.49 -0.54 -1.04 -0.51 -1.99 114.28 106.92 2ppb n THR 566 Ca 0.07 0.17 0.06 0.00 -2.04 0.00 0.00 64.05 62.31 2ppb n THR 566 Cb 0.15 -0.94 0.04 0.00 -1.82 0.00 0.00 70.33 67.76 2ppb n THR 566 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ppb n GLN 567 N -1.33 0.95 -1.73 -2.82 6.02 0.11 -4.46 117.38 114.12 2ppb n GLN 567 Ca 0.06 -1.07 -0.42 0.00 -0.01 0.00 0.00 57.00 55.55 2ppb n GLN 567 Cb 0.12 -1.20 -0.02 0.00 1.02 0.00 0.00 30.24 30.16 2ppb n GLN 567 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ppb n ALA 568 N 0.46 2.35 -2.82 -1.58 0.00 -0.84 -2.96 120.51 115.11 2ppb n ALA 568 Ca 0.06 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.54 2ppb n ALA 568 Cb 0.28 -2.44 -0.11 0.00 0.00 0.00 0.00 19.45 17.18 2ppb n ALA 568 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ppb s VAL 569 N 0.14 4.16 -0.13 0.00 0.11 -1.24 -2.66 120.40 120.79 2ppb s VAL 569 Ca 0.66 -0.28 -0.29 0.00 -2.93 0.00 0.00 61.98 59.15 2ppb s VAL 569 Cb -0.52 -2.80 -0.06 0.00 -1.53 0.00 0.00 36.38 31.47 2ppb s VAL 569 CO 0.47 0.53 1.98 -2.84 -3.33 0.00 0.00 175.10 171.91 2ppb s PRO 570 N -0.11 3.64 0.13 1.54 0.02 -1.26 -4.59 135.00 134.38 2ppb s PRO 570 Ca 0.04 2.14 -0.17 0.00 0.02 0.00 0.00 61.00 63.03 2ppb s PRO 570 Cb -0.13 -4.22 -0.07 0.00 0.02 0.00 0.00 34.50 30.11 2ppb s PRO 570 CO 0.02 -1.51 0.58 -0.51 -0.33 0.00 0.00 177.00 175.25 2ppb s LEU 571 N 6.20 4.40 0.38 -5.54 1.02 -1.26 -4.52 118.68 119.35 2ppb s LEU 571 Ca 0.89 1.18 0.12 0.00 0.02 0.00 0.00 54.13 56.34 2ppb s LEU 571 Cb -0.34 -3.19 0.92 0.00 0.02 0.00 0.00 46.19 43.60 2ppb s LEU 571 CO 0.36 0.15 1.86 0.16 0.02 0.00 0.00 176.35 178.89 2ppb h ILE 572 N 3.02 0.76 -3.68 -0.59 3.07 -1.87 -3.34 117.51 114.90 2ppb h ILE 572 Ca -0.49 -0.20 -0.68 0.00 1.55 0.00 0.00 64.86 65.04 2ppb h ILE 572 Cb 1.20 0.13 -0.19 0.00 -0.27 0.00 0.00 36.82 37.68 2ppb h ILE 572 CO 0.65 0.11 -0.47 -0.13 -1.05 0.00 0.00 178.15 177.25 2ppb s ARG 573 N -5.59 3.40 -0.20 0.16 0.52 -1.26 -5.05 118.95 110.92 2ppb s ARG 573 Ca -0.09 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.42 2ppb s ARG 573 Cb 0.23 -3.83 0.04 0.00 0.52 0.00 0.00 34.95 31.90 2ppb s ARG 573 CO 0.79 -0.49 -0.14 0.00 0.02 0.00 0.00 175.30 175.47 2ppb s ALA 574 N 1.71 2.23 -0.05 2.13 0.00 -1.25 -4.78 121.76 121.75 2ppb s ALA 574 Ca 0.06 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.71 2ppb s ALA 574 Cb -0.18 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 2ppb s ALA 574 CO 0.10 -0.73 -0.08 -0.65 0.00 0.00 0.00 175.76 174.40 2ppb s GLN 575 N 1.30 2.67 0.49 0.00 -0.21 -1.25 -3.55 119.66 119.10 2ppb s GLN 575 Ca -0.01 -0.60 -0.17 0.00 0.02 0.00 0.00 55.36 54.60 2ppb s GLN 575 Cb -0.16 -2.54 -0.08 0.00 1.00 0.00 0.00 33.01 31.23 2ppb s GLN 575 CO -0.09 0.65 0.96 0.00 -2.12 0.00 0.00 175.29 174.68 2ppb s ALA 576 N -0.84 3.09 0.66 6.09 0.00 -1.26 -3.83 121.76 125.67 2ppb s ALA 576 Ca 0.13 0.18 -0.17 0.00 0.00 0.00 0.00 51.96 52.10 2ppb s ALA 576 Cb -0.11 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 2ppb s ALA 576 CO 0.02 -0.14 1.15 -2.30 0.00 0.00 0.00 175.76 174.49 2ppb n PRO 577 N -1.38 0.88 0.26 0.00 -0.02 -1.26 -4.70 135.00 128.79 2ppb n PRO 577 Ca 0.06 0.36 0.14 0.00 -2.02 0.00 0.00 63.50 62.03 2ppb n PRO 577 Cb 0.54 -2.39 0.71 0.00 -0.02 0.00 0.00 33.50 32.35 2ppb n PRO 577 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2ppb h VAL 578 N 0.27 0.45 -3.22 -1.45 -1.51 -1.92 -3.39 116.25 105.48 2ppb h VAL 578 Ca -0.49 -0.60 -0.53 0.00 -1.23 0.00 0.00 66.70 63.85 2ppb h VAL 578 Cb 1.34 1.41 -0.37 0.00 -2.13 0.00 0.00 31.29 31.54 2ppb h VAL 578 CO 0.51 0.11 -0.80 0.54 -1.23 0.00 0.00 177.57 176.70 2ppb s VAL 579 N -4.03 1.04 0.49 7.19 0.11 -1.26 -0.87 120.40 123.07 2ppb s VAL 579 Ca -0.02 -0.39 0.05 0.00 -2.93 0.00 0.00 61.98 58.69 2ppb s VAL 579 Cb 0.12 -1.11 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 2ppb s VAL 579 CO 0.57 0.29 0.23 -0.04 -3.33 0.00 0.00 175.10 172.83 2ppb s MET 580 N 1.69 2.24 -0.21 1.54 1.00 0.27 -4.89 119.30 120.94 2ppb s MET 580 Ca 0.04 -2.04 0.02 0.00 0.00 0.00 0.00 55.69 53.70 2ppb s MET 580 Cb -0.13 -1.93 -0.14 0.00 0.00 0.00 0.00 34.83 32.63 2ppb s MET 580 CO -0.08 -0.38 -0.19 0.25 0.00 0.00 0.00 175.02 174.62 2ppb n THR 581 N -1.46 1.22 0.00 2.05 -2.24 -1.26 0.18 114.28 112.76 2ppb n THR 581 Ca -0.05 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2ppb n THR 581 Cb 0.65 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2ppb n THR 581 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ppb n GLY 582 N 2.48 -0.54 0.12 3.38 0.00 -1.26 -3.55 105.19 105.83 2ppb n GLY 582 Ca -0.38 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.66 2ppb n GLY 582 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ppb n LEU 583 N 0.00 1.11 -0.28 0.99 4.32 -1.26 -4.65 117.00 117.23 2ppb n LEU 583 Ca 0.00 -0.91 0.09 0.00 -0.02 0.00 0.00 56.01 55.17 2ppb n LEU 583 Cb 0.00 0.00 0.24 0.00 -1.62 0.00 0.00 43.42 42.04 2ppb n LEU 583 CO 0.00 0.25 1.02 1.05 -1.22 0.00 0.00 177.39 178.48 2ppb h GLU 584 N 0.61 0.39 0.82 3.23 9.09 -1.95 0.74 114.58 127.52 2ppb h GLU 584 Ca 0.00 -0.02 -0.04 0.00 0.05 0.00 0.00 59.36 59.35 2ppb h GLU 584 Cb 0.14 -0.09 0.01 0.00 -1.65 0.00 0.00 28.75 27.16 2ppb h GLU 584 CO 0.00 0.26 -0.39 0.93 0.05 0.00 0.00 179.01 179.85 2ppb h GLU 585 N 0.40 -1.06 -0.95 1.06 5.08 -1.83 -2.31 114.58 114.97 2ppb h GLU 585 Ca 0.49 0.07 0.18 0.00 -1.00 0.00 0.00 59.36 59.10 2ppb h GLU 585 Cb 0.85 0.24 -0.08 0.00 0.50 0.00 0.00 28.75 30.25 2ppb h GLU 585 CO -0.48 -0.70 0.61 0.00 -1.00 0.00 0.00 179.01 177.43 2ppb h ARG 586 N -1.16 0.63 0.31 2.33 2.47 -1.62 -2.21 114.38 115.13 2ppb h ARG 586 Ca -0.11 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.55 2ppb h ARG 586 Cb 0.85 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 2ppb h ARG 586 CO 0.19 0.41 -0.15 0.28 0.56 0.00 0.00 179.97 181.26 2ppb h VAL 587 N 0.64 0.71 0.00 2.04 2.07 -0.81 0.24 116.25 121.15 2ppb h VAL 587 Ca 0.51 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2ppb h VAL 587 Cb 0.94 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2ppb h VAL 587 CO -0.27 0.06 0.00 -0.37 0.02 0.00 0.00 177.57 177.02 2ppb h VAL 588 N -0.59 0.00 0.00 2.57 -1.51 -1.35 0.77 116.25 116.14 2ppb h VAL 588 Ca -0.04 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 2ppb h VAL 588 Cb 0.43 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 2ppb h VAL 588 CO 0.07 0.00 -0.20 -0.09 -1.23 0.00 0.00 177.57 176.13 2ppb h ARG 589 N 0.00 0.00 -0.25 5.19 2.43 -1.01 -3.00 114.38 117.74 2ppb h ARG 589 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2ppb h ARG 589 Cb 0.33 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2ppb h ARG 589 CO 0.00 0.00 -0.06 -0.44 -1.51 0.00 0.00 179.97 177.96 2ppb h ASP 590 N -0.95 0.37 -4.33 -3.80 3.32 -0.59 -3.39 116.42 107.05 2ppb h ASP 590 Ca 0.00 -0.07 -0.51 0.00 0.02 0.00 0.00 57.03 56.47 2ppb h ASP 590 Cb 0.20 -0.10 0.09 0.00 0.22 0.00 0.00 39.33 39.74 2ppb h ASP 590 CO 0.00 0.48 0.37 -0.94 -1.72 0.00 0.00 179.24 177.44 2ppb s SER 591 N -6.80 5.48 -0.90 6.45 1.04 0.26 -4.85 113.70 114.38 2ppb s SER 591 Ca -0.07 1.62 -0.01 0.00 0.48 0.00 0.00 55.95 57.97 2ppb s SER 591 Cb 0.15 -2.50 0.34 0.00 0.10 0.00 0.00 66.02 64.12 2ppb s SER 591 CO 0.75 -1.38 1.82 0.18 0.98 0.00 0.00 173.24 175.60 2ppb n LEU 592 N -3.02 7.14 0.00 2.42 4.77 -1.26 -4.68 117.00 122.37 2ppb n LEU 592 Ca 0.07 -5.18 0.00 0.00 -0.03 0.00 0.00 56.01 50.87 2ppb n LEU 592 Cb 0.53 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 2ppb n LEU 592 CO 0.55 1.96 0.09 0.00 -1.33 0.00 0.00 177.39 178.67 2ppb n ALA 593 N -0.28 -0.08 -1.80 -1.18 0.00 -1.13 -4.92 120.51 111.11 2ppb n ALA 593 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.62 2ppb n ALA 593 Cb 0.27 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.78 2ppb n ALA 593 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ppb s ALA 594 N -3.13 2.73 -0.23 0.00 0.00 -1.24 -3.61 121.76 116.28 2ppb s ALA 594 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 2ppb s ALA 594 Cb 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 2ppb s ALA 594 CO 0.00 -1.28 0.01 -0.51 0.00 0.00 0.00 175.76 173.98 2ppb s LEU 595 N -5.47 3.16 0.16 0.00 1.02 -0.89 -4.85 118.68 111.82 2ppb s LEU 595 Ca 0.59 -0.30 0.03 0.00 0.02 0.00 0.00 54.13 54.47 2ppb s LEU 595 Cb -0.12 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.23 2ppb s LEU 595 CO 0.52 -0.02 0.25 -0.31 0.02 0.00 0.00 176.35 176.81 2ppb s TYR 596 N 1.52 3.40 -0.18 0.29 1.51 -1.26 -0.32 117.35 122.31 2ppb s TYR 596 Ca 0.06 0.07 -0.29 0.00 -1.01 0.00 0.00 57.07 55.90 2ppb s TYR 596 Cb -0.15 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 2ppb s TYR 596 CO 0.00 0.51 1.03 0.00 -1.11 0.00 0.00 175.55 175.98 2ppb s ALA 597 N -1.76 3.58 0.00 3.71 0.00 -0.92 -4.87 121.76 121.50 2ppb s ALA 597 Ca 0.34 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2ppb s ALA 597 Cb -0.11 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2ppb s ALA 597 CO 0.27 -0.87 0.80 0.39 0.00 0.00 0.00 175.76 176.35 2ppb n GLU 598 N 5.80 0.00 -4.32 0.00 1.02 -1.26 -0.07 120.64 121.81 2ppb n GLU 598 Ca 0.11 0.38 -0.26 0.00 -0.02 0.00 0.00 57.16 57.37 2ppb n GLU 598 Cb 0.47 -1.30 -0.08 0.00 -0.02 0.00 0.00 31.44 30.51 2ppb n GLU 598 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2ppb s GLU 599 N -2.19 2.13 0.60 3.49 8.01 -1.26 -4.05 118.70 125.44 2ppb s GLU 599 Ca 0.00 -1.97 -0.19 0.00 0.01 0.00 0.00 54.97 52.83 2ppb s GLU 599 Cb 0.00 -1.85 -0.03 0.00 -4.31 0.00 0.00 34.13 27.94 2ppb s GLU 599 CO 0.00 -0.12 1.24 -0.51 0.01 0.00 0.00 175.26 175.89 2ppb s ASP 600 N -3.85 5.05 0.00 -0.19 1.01 -1.26 -4.56 116.67 112.87 2ppb s ASP 600 Ca 0.37 2.48 0.00 0.00 0.71 0.00 0.00 52.55 56.12 2ppb s ASP 600 Cb 0.06 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.38 2ppb s ASP 600 CO 0.20 -1.70 0.00 0.61 0.21 0.00 0.00 175.17 174.50 2ppb n GLY 601 N 0.64 -0.56 3.45 0.21 0.00 -0.80 -2.01 105.19 106.12 2ppb n GLY 601 Ca 0.14 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 2ppb n GLY 601 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ppb s GLU 602 N -0.36 1.62 -0.15 1.61 2.56 0.28 0.95 118.70 125.20 2ppb s GLU 602 Ca 0.00 -1.86 -0.08 0.00 0.00 0.00 0.00 54.97 53.03 2ppb s GLU 602 Cb 0.00 -1.11 -0.04 0.00 2.00 0.00 0.00 34.13 34.98 2ppb s GLU 602 CO 0.00 -0.04 0.14 0.08 -0.56 0.00 0.00 175.26 174.88 2ppb s VAL 603 N -3.08 5.47 0.00 3.70 1.01 -0.58 0.54 120.40 127.46 2ppb s VAL 603 Ca 0.32 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.51 2ppb s VAL 603 Cb 0.06 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2ppb s VAL 603 CO 0.14 0.55 0.00 0.00 0.00 0.00 0.00 175.10 175.78 2ppb n ALA 604 N 2.60 0.00 -2.36 5.51 0.00 -0.41 -0.77 120.51 125.07 2ppb n ALA 604 Ca -0.18 -0.19 -0.31 0.00 0.00 0.00 0.00 53.44 52.76 2ppb n ALA 604 Cb 0.54 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.84 2ppb n ALA 604 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2ppb s LYS 605 N -0.96 2.22 -0.53 0.00 1.02 -1.12 -4.36 119.74 116.03 2ppb s LYS 605 Ca 0.00 -0.87 0.04 0.00 0.02 0.00 0.00 55.97 55.16 2ppb s LYS 605 Cb 0.00 -2.13 0.14 0.00 -0.52 0.00 0.00 37.83 35.32 2ppb s LYS 605 CO 0.00 0.57 0.31 0.08 -0.92 0.00 0.00 175.35 175.39 2ppb s VAL 606 N -0.63 2.09 0.80 3.17 1.01 -1.26 -1.54 120.40 124.04 2ppb s VAL 606 Ca 0.10 -3.22 -0.08 0.00 0.00 0.00 0.00 61.98 58.78 2ppb s VAL 606 Cb -0.10 -2.44 0.13 0.00 0.00 0.00 0.00 36.38 33.97 2ppb s VAL 606 CO -0.01 -0.91 1.12 -0.62 0.00 0.00 0.00 175.10 174.69 2ppb s ASP 607 N -0.30 4.06 0.00 3.32 2.15 0.24 -4.95 116.67 121.20 2ppb s ASP 607 Ca 0.20 0.16 0.26 0.00 0.43 0.00 0.00 52.55 53.60 2ppb s ASP 607 Cb -0.19 -0.51 1.00 0.00 -0.30 0.00 0.00 42.92 42.92 2ppb s ASP 607 CO -0.05 -2.09 1.71 0.61 -0.17 0.00 0.00 175.17 175.18 2ppb n GLY 608 N -3.21 0.04 0.00 2.66 0.00 -1.26 -3.81 105.19 99.61 2ppb n GLY 608 Ca 0.13 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2ppb n GLY 608 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ppb n ASN 609 N 0.16 2.25 -3.60 1.61 4.05 -1.26 -4.90 115.26 113.58 2ppb n ASN 609 Ca 0.18 -0.08 -0.13 0.00 0.45 0.00 0.00 54.58 55.00 2ppb n ASN 609 Cb 0.34 0.60 -0.07 0.00 1.23 0.00 0.00 39.78 41.89 2ppb n ASN 609 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ppb s ARG 610 N -1.06 0.78 -0.48 1.20 1.70 -1.25 -1.96 118.95 117.89 2ppb s ARG 610 Ca 0.00 0.63 0.04 0.00 -0.47 0.00 0.00 55.73 55.93 2ppb s ARG 610 Cb 0.00 0.38 0.13 0.00 -0.57 0.00 0.00 34.95 34.88 2ppb s ARG 610 CO 0.00 -0.15 0.22 0.42 -1.08 0.00 0.00 175.30 174.71 2ppb s ILE 611 N -0.19 2.36 -0.61 4.99 1.01 -1.07 0.82 121.20 128.51 2ppb s ILE 611 Ca -0.02 -3.05 -0.28 0.00 0.00 0.00 0.00 60.65 57.30 2ppb s ILE 611 Cb -0.03 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.80 2ppb s ILE 611 CO 0.01 -0.78 1.28 -0.69 0.00 0.00 0.00 174.94 174.77 2ppb s VAL 612 N -0.01 3.88 0.21 2.92 1.01 -0.59 -2.96 120.40 124.86 2ppb s VAL 612 Ca 0.16 0.73 -0.11 0.00 0.00 0.00 0.00 61.98 62.77 2ppb s VAL 612 Cb -0.25 -4.67 -0.07 0.00 0.00 0.00 0.00 36.38 31.39 2ppb s VAL 612 CO -0.02 -1.39 0.55 0.68 0.00 0.00 0.00 175.10 174.92 2ppb s VAL 613 N 5.48 4.92 -0.34 2.92 -7.23 -0.31 -1.29 120.40 124.54 2ppb s VAL 613 Ca 0.44 0.56 -0.03 0.00 -1.81 0.00 0.00 61.98 61.14 2ppb s VAL 613 Cb -0.09 -3.64 0.07 0.00 0.56 0.00 0.00 36.38 33.28 2ppb s VAL 613 CO 0.23 0.01 0.09 -0.60 -0.31 0.00 0.00 175.10 174.52 2ppb s ARG 614 N -2.59 2.32 0.65 4.82 3.52 0.19 -0.95 118.95 126.91 2ppb s ARG 614 Ca 0.45 -1.43 -0.11 0.00 -0.13 0.00 0.00 55.73 54.50 2ppb s ARG 614 Cb -0.12 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 2ppb s ARG 614 CO 0.21 -0.78 1.04 0.71 -0.81 0.00 0.00 175.30 175.67 2ppb s TYR 615 N 1.24 3.36 -1.15 5.12 4.12 0.85 0.99 117.35 131.88 2ppb s TYR 615 Ca -0.00 1.37 0.17 0.00 0.02 0.00 0.00 57.07 58.63 2ppb s TYR 615 Cb -0.21 -2.81 0.78 0.00 -1.52 0.00 0.00 41.96 38.21 2ppb s TYR 615 CO -0.01 -0.95 1.54 0.39 0.02 0.00 0.00 175.55 176.53 2ppb n GLU 616 N -2.86 0.09 0.00 -0.62 -0.58 -0.85 -2.89 120.64 112.93 2ppb n GLU 616 Ca 0.07 0.18 0.16 0.00 -0.42 0.00 0.00 57.16 57.14 2ppb n GLU 616 Cb 0.54 -1.50 0.93 0.00 -0.57 0.00 0.00 31.44 30.84 2ppb n GLU 616 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2ppb n ASP 617 N -1.42 0.01 0.00 1.62 9.92 -1.26 -4.85 116.55 120.56 2ppb n ASP 617 Ca 0.06 -0.93 0.00 0.00 -0.53 0.00 0.00 54.79 53.38 2ppb n ASP 617 Cb 0.18 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 2ppb n ASP 617 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ppb n GLY 618 N 1.02 0.89 3.56 0.44 0.00 -1.14 -5.08 105.19 104.89 2ppb n GLY 618 Ca 0.23 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 2ppb n GLY 618 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ppb s ARG 619 N -0.74 2.03 -0.04 1.61 1.70 -1.24 -5.01 118.95 117.25 2ppb s ARG 619 Ca 0.00 -1.35 -0.01 0.00 -0.47 0.00 0.00 55.73 53.90 2ppb s ARG 619 Cb 0.00 -2.11 0.03 0.00 -0.57 0.00 0.00 34.95 32.31 2ppb s ARG 619 CO 0.00 0.41 0.08 -0.48 -1.08 0.00 0.00 175.30 174.24 2ppb s LEU 620 N -3.00 0.95 -0.03 -1.89 2.34 -1.26 -0.11 118.68 115.68 2ppb s LEU 620 Ca 0.26 0.16 0.07 0.00 0.06 0.00 0.00 54.13 54.68 2ppb s LEU 620 Cb -0.08 0.14 -0.02 0.00 -0.56 0.00 0.00 46.19 45.67 2ppb s LEU 620 CO 0.15 -0.13 -0.24 -0.69 -1.06 0.00 0.00 176.35 174.38 2ppb s VAL 621 N 1.06 1.95 -0.18 1.48 1.01 -0.13 -4.96 120.40 120.63 2ppb s VAL 621 Ca -0.09 -1.04 -0.23 0.00 0.00 0.00 0.00 61.98 60.63 2ppb s VAL 621 Cb -0.12 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 2ppb s VAL 621 CO -0.04 0.55 0.72 -0.70 0.00 0.00 0.00 175.10 175.62 2ppb s GLU 622 N -0.43 4.26 -0.61 2.72 2.12 -1.26 -1.16 118.70 124.33 2ppb s GLU 622 Ca 0.05 0.79 -0.04 0.00 0.36 0.00 0.00 54.97 56.14 2ppb s GLU 622 Cb -0.11 -3.57 0.16 0.00 0.26 0.00 0.00 34.13 30.87 2ppb s GLU 622 CO 0.00 -0.26 0.43 0.71 -0.54 0.00 0.00 175.26 175.61 2ppb s TYR 623 N 1.94 3.46 0.85 5.30 4.12 -1.16 -4.94 117.35 126.92 2ppb s TYR 623 Ca 0.33 -2.59 -0.11 0.00 0.02 0.00 0.00 57.07 54.72 2ppb s TYR 623 Cb -0.16 -3.26 0.11 0.00 -1.52 0.00 0.00 41.96 37.12 2ppb s TYR 623 CO 0.12 -0.87 1.15 -2.14 0.02 0.00 0.00 175.55 173.82 2ppb s PRO 624 N 0.15 1.49 -0.10 -1.71 0.02 -1.26 -2.61 135.00 130.99 2ppb s PRO 624 Ca 0.15 1.53 0.03 0.00 0.02 0.00 0.00 61.00 62.73 2ppb s PRO 624 Cb -0.20 -1.78 0.01 0.00 0.02 0.00 0.00 34.50 32.55 2ppb s PRO 624 CO -0.04 -2.27 -0.18 -0.51 -0.33 0.00 0.00 177.00 173.67 2ppb s LEU 625 N -6.15 1.85 -0.70 -5.54 1.43 -0.83 -4.93 118.68 103.81 2ppb s LEU 625 Ca 0.67 -0.45 -0.25 0.00 -1.03 0.00 0.00 54.13 53.08 2ppb s LEU 625 Cb -0.23 -1.14 -0.13 0.00 0.03 0.00 0.00 46.19 44.71 2ppb s LEU 625 CO 0.55 0.07 2.42 0.54 0.23 0.00 0.00 176.35 180.16 2ppb n ARG 626 N 3.86 0.67 0.00 1.70 1.74 -1.26 -4.81 116.66 118.55 2ppb n ARG 626 Ca -0.20 -0.39 0.00 0.00 -0.77 0.00 0.00 57.85 56.49 2ppb n ARG 626 Cb 0.52 -3.24 0.00 0.00 -1.02 0.00 0.00 32.46 28.72 2ppb n ARG 626 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2ppb n ARG 627 N 8.61 0.00 -3.58 5.56 1.85 -1.26 -2.47 116.66 125.36 2ppb n ARG 627 Ca 0.46 0.19 -0.29 0.00 -1.00 0.00 0.00 57.85 57.21 2ppb n ARG 627 Cb 0.43 -0.83 -0.15 0.00 -1.05 0.00 0.00 32.46 30.86 2ppb n ARG 627 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2ppb s PHE 628 N -0.66 0.64 0.22 2.89 0.08 -1.26 -3.92 117.98 115.97 2ppb s PHE 628 Ca 0.00 -1.08 0.07 0.00 0.12 0.00 0.00 56.93 56.04 2ppb s PHE 628 Cb 0.00 -1.09 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 2ppb s PHE 628 CO 0.00 -0.84 0.13 0.71 -0.10 0.00 0.00 175.22 175.12 2ppb s TYR 629 N 1.98 3.03 -0.41 0.36 1.51 -1.19 -4.97 117.35 117.65 2ppb s TYR 629 Ca 0.09 -0.10 -0.21 0.00 -1.01 0.00 0.00 57.07 55.84 2ppb s TYR 629 Cb -0.16 -1.40 0.02 0.00 -0.11 0.00 0.00 41.96 40.31 2ppb s TYR 629 CO -0.34 0.53 0.67 0.50 -1.11 0.00 0.00 175.55 175.80 2ppb s ARG 630 N -3.50 3.43 0.72 -0.62 6.06 -1.26 -3.29 118.95 120.49 2ppb s ARG 630 Ca 0.31 -0.18 -0.11 0.00 -2.50 0.00 0.00 55.73 53.25 2ppb s ARG 630 Cb -0.08 -3.90 0.02 0.00 0.06 0.00 0.00 34.95 31.05 2ppb s ARG 630 CO 0.23 -0.94 1.07 -1.54 -2.50 0.00 0.00 175.30 171.62 2ppb s SER 631 N 1.96 5.06 0.22 -2.12 1.04 -1.06 -4.88 113.70 113.91 2ppb s SER 631 Ca 0.25 1.71 -0.09 0.00 0.48 0.00 0.00 55.95 58.30 2ppb s SER 631 Cb -0.14 -2.51 0.31 0.00 0.10 0.00 0.00 66.02 63.79 2ppb s SER 631 CO 0.18 -1.66 1.73 0.78 0.98 0.00 0.00 173.24 175.26 2ppb h ASN 632 N -0.83 0.19 -0.32 7.02 4.21 -1.89 0.62 115.58 124.59 2ppb h ASN 632 Ca -0.44 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.16 2ppb h ASN 632 Cb 1.22 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 2ppb h ASN 632 CO 0.55 0.11 0.00 0.00 -1.29 0.00 0.00 177.43 176.79 2ppb n GLN 633 N -5.02 2.66 -2.71 0.81 1.13 -1.26 -4.90 117.38 108.08 2ppb n GLN 633 Ca 0.10 -1.52 -0.12 0.00 -1.94 0.00 0.00 57.00 53.52 2ppb n GLN 633 Cb 0.31 -1.72 0.02 0.00 0.11 0.00 0.00 30.24 28.96 2ppb n GLN 633 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ppb n GLY 634 N 0.54 0.06 3.75 1.08 0.00 0.21 -4.94 105.19 105.89 2ppb n GLY 634 Ca 0.14 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2ppb n GLY 634 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ppb s THR 635 N -2.91 4.47 0.17 2.61 -4.23 -1.26 -2.78 115.64 111.70 2ppb s THR 635 Ca 0.18 -0.60 -0.30 0.00 -1.18 0.00 0.00 61.69 59.79 2ppb s THR 635 Cb -0.08 -3.06 -0.07 0.00 1.34 0.00 0.00 72.50 70.63 2ppb s THR 635 CO 0.22 0.28 1.01 0.00 -0.54 0.00 0.00 174.62 175.59 2ppb s ALA 636 N -1.22 3.31 -0.38 3.99 0.00 -1.25 -2.58 121.76 123.63 2ppb s ALA 636 Ca 0.24 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.91 2ppb s ALA 636 Cb -0.12 -3.29 0.11 0.00 0.00 0.00 0.00 23.12 19.81 2ppb s ALA 636 CO 0.15 -0.05 0.10 -0.51 0.00 0.00 0.00 175.76 175.45 2ppb s LEU 637 N -0.42 4.73 0.01 0.00 1.43 -1.21 -4.84 118.68 118.38 2ppb s LEU 637 Ca 0.46 -2.30 0.05 0.00 -1.03 0.00 0.00 54.13 51.31 2ppb s LEU 637 Cb -0.26 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2ppb s LEU 637 CO 0.32 -0.36 -0.14 -0.62 0.23 0.00 0.00 176.35 175.78 2ppb s ASP 638 N 0.75 1.65 -0.35 2.29 3.68 -1.25 -3.18 116.67 120.27 2ppb s ASP 638 Ca 0.12 -0.32 -0.10 0.00 2.13 0.00 0.00 52.55 54.39 2ppb s ASP 638 Cb -0.20 -0.16 0.02 0.00 -1.45 0.00 0.00 42.92 41.13 2ppb s ASP 638 CO -0.06 0.13 0.17 -1.10 0.13 0.00 0.00 175.17 174.43 2ppb s GLN 639 N -0.58 2.94 -0.41 4.34 1.11 -1.03 -3.36 119.66 122.67 2ppb s GLN 639 Ca 0.04 -0.99 -0.17 0.00 0.01 0.00 0.00 55.36 54.25 2ppb s GLN 639 Cb -0.06 -3.62 0.02 0.00 -1.01 0.00 0.00 33.01 28.34 2ppb s GLN 639 CO 0.00 -0.60 0.45 -0.98 0.01 0.00 0.00 175.29 174.17 2ppb s ARG 640 N 1.54 3.21 0.22 2.91 1.70 -1.12 -4.82 118.95 122.59 2ppb s ARG 640 Ca 0.02 -0.64 -0.32 0.00 -0.47 0.00 0.00 55.73 54.32 2ppb s ARG 640 Cb -0.18 -3.93 -0.13 0.00 -0.57 0.00 0.00 34.95 30.13 2ppb s ARG 640 CO 0.06 -0.81 1.47 -2.30 -1.08 0.00 0.00 175.30 172.64 2ppb n PRO 641 N 5.64 2.10 -0.03 3.89 -0.02 -1.26 -1.60 135.00 143.72 2ppb n PRO 641 Ca -0.07 0.75 0.03 0.00 -2.02 0.00 0.00 63.50 62.20 2ppb n PRO 641 Cb 0.48 -2.45 0.04 0.00 -0.02 0.00 0.00 33.50 31.55 2ppb n PRO 641 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ppb n ARG 642 N 2.44 0.74 -4.53 -0.52 5.12 -0.34 -4.90 116.66 114.67 2ppb n ARG 642 Ca 0.13 -1.14 -0.33 0.00 -1.93 0.00 0.00 57.85 54.57 2ppb n ARG 642 Cb 0.31 -1.13 -0.12 0.00 -1.16 0.00 0.00 32.46 30.35 2ppb n ARG 642 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2ppb s VAL 643 N -0.66 3.66 0.86 1.55 1.01 -1.21 -5.01 120.40 120.60 2ppb s VAL 643 Ca 0.09 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 2ppb s VAL 643 Cb 0.06 -2.57 0.11 0.00 0.00 0.00 0.00 36.38 33.98 2ppb s VAL 643 CO 0.08 0.52 1.16 0.68 0.00 0.00 0.00 175.10 177.55 2ppb s VAL 644 N 0.16 2.00 0.24 2.92 -7.23 -1.26 -4.91 120.40 112.31 2ppb s VAL 644 Ca -0.03 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.84 2ppb s VAL 644 Cb -0.14 -2.88 -0.10 0.00 0.56 0.00 0.00 36.38 33.82 2ppb s VAL 644 CO 0.03 0.00 1.45 -0.69 -0.31 0.00 0.00 175.10 175.59 2ppb s VAL 645 N -3.45 2.67 -0.48 1.32 1.01 -1.26 -4.04 120.40 116.17 2ppb s VAL 645 Ca 0.63 0.55 -0.05 0.00 0.00 0.00 0.00 61.98 63.12 2ppb s VAL 645 Cb -0.12 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.91 2ppb s VAL 645 CO 0.51 0.08 0.51 0.61 0.00 0.00 0.00 175.10 176.82 2ppb n GLY 646 N 2.40 -1.08 2.77 4.51 0.00 0.05 -4.95 105.19 108.88 2ppb n GLY 646 Ca 0.08 0.55 -0.20 0.00 0.00 0.00 0.00 46.02 46.45 2ppb n GLY 646 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ppb s GLN 647 N -2.72 0.33 -0.44 1.61 -0.44 -1.25 -4.74 119.66 112.01 2ppb s GLN 647 Ca 0.07 0.15 -0.28 0.00 -2.50 0.00 0.00 55.36 52.80 2ppb s GLN 647 Cb -0.02 -0.65 -0.01 0.00 -1.64 0.00 0.00 33.01 30.69 2ppb s GLN 647 CO 0.59 -0.23 1.67 -0.98 0.50 0.00 0.00 175.29 176.84 2ppb s ARG 648 N 1.57 3.24 -0.09 1.67 3.03 -1.25 -1.53 118.95 125.58 2ppb s ARG 648 Ca -0.02 1.02 -0.10 0.00 2.03 0.00 0.00 55.73 58.65 2ppb s ARG 648 Cb -0.13 -4.19 -0.05 0.00 -1.03 0.00 0.00 34.95 29.56 2ppb s ARG 648 CO -0.03 -1.98 0.24 0.14 -1.13 0.00 0.00 175.30 172.54 2ppb s VAL 649 N 6.89 5.33 0.41 4.99 -7.23 0.27 -4.92 120.40 126.14 2ppb s VAL 649 Ca 0.69 0.45 -0.22 0.00 -1.81 0.00 0.00 61.98 61.09 2ppb s VAL 649 Cb -0.17 -3.53 -0.11 0.00 0.56 0.00 0.00 36.38 33.14 2ppb s VAL 649 CO 0.30 0.57 0.96 0.00 -0.31 0.00 0.00 175.10 176.61 2ppb s ARG 650 N -0.80 4.27 -0.04 4.82 1.70 -1.26 -1.91 118.95 125.73 2ppb s ARG 650 Ca 0.18 1.18 -0.33 0.00 -0.47 0.00 0.00 55.73 56.28 2ppb s ARG 650 Cb -0.14 -2.30 -0.11 0.00 -0.57 0.00 0.00 34.95 31.83 2ppb s ARG 650 CO 0.07 0.00 1.86 1.17 -1.08 0.00 0.00 175.30 177.32 2ppb n LYS 651 N -0.42 2.31 -2.04 3.89 4.81 -1.26 -2.65 118.16 122.80 2ppb n LYS 651 Ca 0.06 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 2ppb n LYS 651 Cb 0.53 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.88 2ppb n LYS 651 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ppb n GLY 652 N 4.32 0.94 3.40 3.14 0.00 0.90 -4.97 105.19 112.92 2ppb n GLY 652 Ca 0.21 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 2ppb n GLY 652 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ppb s ASP 653 N -2.83 3.55 -0.05 1.61 -1.08 -1.09 -4.77 116.67 112.02 2ppb s ASP 653 Ca 0.00 -0.39 -0.32 0.00 -0.52 0.00 0.00 52.55 51.32 2ppb s ASP 653 Cb 0.00 -0.56 -0.10 0.00 -1.46 0.00 0.00 42.92 40.81 2ppb s ASP 653 CO 0.00 0.30 1.97 0.00 0.52 0.00 0.00 175.17 177.96 2ppb n LEU 654 N 2.09 3.73 0.00 -1.34 -0.00 -1.26 -2.16 117.00 118.06 2ppb n LEU 654 Ca -0.16 0.86 -0.15 0.00 -0.00 0.00 0.00 56.01 56.55 2ppb n LEU 654 Cb 0.52 -1.45 -0.14 0.00 -0.00 0.00 0.00 43.42 42.34 2ppb n LEU 654 CO 0.25 -0.00 -0.63 -0.07 -0.00 0.00 0.00 177.39 176.94 2ppb h LEU 655 N 10.45 0.23 -7.76 1.47 3.38 -1.01 -3.43 115.31 118.64 2ppb h LEU 655 Ca -0.48 -0.49 -0.13 0.00 0.09 0.00 0.00 57.88 56.87 2ppb h LEU 655 Cb 1.26 -0.08 -0.19 0.00 0.09 0.00 0.00 40.66 41.74 2ppb h LEU 655 CO 0.95 1.44 -0.45 0.00 0.09 0.00 0.00 178.44 180.47 2ppb s ALA 656 N -2.58 -0.32 -0.01 1.53 0.00 -1.20 -1.20 121.76 117.98 2ppb s ALA 656 Ca -0.13 -0.23 -0.10 0.00 0.00 0.00 0.00 51.96 51.50 2ppb s ALA 656 Cb 0.07 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 2ppb s ALA 656 CO 0.80 -0.28 0.31 -0.51 0.00 0.00 0.00 175.76 176.08 2ppb s ASP 657 N -1.75 6.60 1.23 0.00 1.01 -0.63 -2.10 116.67 121.04 2ppb s ASP 657 Ca -0.10 0.72 -0.12 0.00 0.71 0.00 0.00 52.55 53.76 2ppb s ASP 657 Cb -0.04 -2.16 0.19 0.00 1.01 0.00 0.00 42.92 41.93 2ppb s ASP 657 CO -0.01 0.30 0.48 0.61 0.21 0.00 0.00 175.17 176.76 2ppb n GLY 658 N 1.53 -3.58 0.38 0.21 0.00 -1.24 -2.79 105.19 99.71 2ppb n GLY 658 Ca -0.14 -1.31 0.14 0.00 0.00 0.00 0.00 46.02 44.72 2ppb n GLY 658 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ppb h PRO 659 N 0.00 0.49 0.00 1.61 0.11 -1.78 -3.09 132.00 129.34 2ppb h PRO 659 Ca -0.21 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 2ppb h PRO 659 Cb 0.69 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 2ppb h PRO 659 CO 0.13 0.33 -0.13 0.00 -0.21 0.00 0.00 178.00 178.12 2ppb n ALA 660 N -2.49 2.24 -2.84 -0.75 0.00 -1.26 -4.61 120.51 110.79 2ppb n ALA 660 Ca 0.16 -2.29 -0.35 0.00 0.00 0.00 0.00 53.44 50.96 2ppb n ALA 660 Cb 0.52 -0.41 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 2ppb n ALA 660 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ppb s SER 661 N -2.47 6.10 -0.04 0.00 1.04 -1.17 -1.67 113.70 115.48 2ppb s SER 661 Ca 0.25 0.32 -0.00 0.00 0.48 0.00 0.00 55.95 57.00 2ppb s SER 661 Cb 0.22 -1.88 -0.00 0.00 0.10 0.00 0.00 66.02 64.46 2ppb s SER 661 CO 0.02 0.33 -0.01 -0.08 0.98 0.00 0.00 173.24 174.48 2ppb h GLU 662 N 4.44 0.00 -2.34 4.02 4.81 -1.59 -3.42 114.58 120.51 2ppb h GLU 662 Ca -0.51 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.20 2ppb h GLU 662 Cb 1.20 0.00 -0.36 0.00 0.63 0.00 0.00 28.75 30.22 2ppb h GLU 662 CO 0.62 0.00 -0.82 -0.80 -0.73 0.00 0.00 179.01 177.28 2ppb s ASN 663 N -4.07 2.12 0.00 1.04 0.01 -1.26 -4.89 114.94 107.88 2ppb s ASN 663 Ca -0.00 -2.16 0.00 0.00 -0.71 0.00 0.00 52.86 49.98 2ppb s ASN 663 Cb 0.00 -0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.57 2ppb s ASN 663 CO 0.01 -0.27 0.00 0.61 -1.51 0.00 0.00 177.10 175.94 2ppb n GLY 664 N 3.87 0.00 3.67 0.66 0.00 -1.26 -4.89 105.19 107.24 2ppb n GLY 664 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2ppb n GLY 664 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ppb s PHE 665 N -0.55 3.10 0.04 1.61 2.99 -1.26 -4.34 117.98 119.57 2ppb s PHE 665 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 56.93 56.75 2ppb s PHE 665 Cb 0.00 -1.73 -0.08 0.00 0.00 0.00 0.00 43.02 41.21 2ppb s PHE 665 CO 0.00 0.45 1.75 -1.17 -0.00 0.00 0.00 175.22 176.25 2ppb s LEU 666 N -1.16 4.38 -0.06 -0.37 2.96 -0.88 -3.12 118.68 120.44 2ppb s LEU 666 Ca 0.16 2.51 -0.01 0.00 -0.22 0.00 0.00 54.13 56.57 2ppb s LEU 666 Cb -0.11 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.05 2ppb s LEU 666 CO 0.06 -0.95 0.02 0.00 -1.32 0.00 0.00 176.35 174.15 2ppb s ALA 667 N 3.35 0.52 -0.01 5.97 0.00 -0.67 -4.55 121.76 126.37 2ppb s ALA 667 Ca 0.78 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2ppb s ALA 667 Cb -0.40 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.09 2ppb s ALA 667 CO 0.34 -0.40 0.01 -0.51 0.00 0.00 0.00 175.76 175.20 2ppb s LEU 668 N 1.85 1.62 0.00 0.00 1.02 -1.25 -4.45 118.68 117.47 2ppb s LEU 668 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 54.13 54.18 2ppb s LEU 668 Cb -0.12 -0.06 0.00 0.00 0.02 0.00 0.00 46.19 46.03 2ppb s LEU 668 CO -0.04 -0.05 0.00 0.61 0.02 0.00 0.00 176.35 176.89 2ppb n GLY 669 N 3.53 -1.49 3.14 -3.19 0.00 -1.26 -4.57 105.19 101.35 2ppb n GLY 669 Ca -0.19 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 2ppb n GLY 669 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ppb s GLN 670 N -0.43 0.69 0.26 1.61 -0.21 -0.96 -3.95 119.66 116.67 2ppb s GLN 670 Ca 0.00 -0.98 -0.30 0.00 0.02 0.00 0.00 55.36 54.10 2ppb s GLN 670 Cb 0.00 0.27 -0.10 0.00 1.00 0.00 0.00 33.01 34.17 2ppb s GLN 670 CO 0.00 -0.18 1.46 -0.80 -2.12 0.00 0.00 175.29 173.64 2ppb s ASN 671 N -2.66 6.61 -0.11 5.90 0.02 -1.26 -3.30 114.94 120.13 2ppb s ASN 671 Ca 0.03 2.72 -0.10 0.00 -1.02 0.00 0.00 52.86 54.48 2ppb s ASN 671 Cb 0.04 -2.63 0.03 0.00 0.02 0.00 0.00 41.25 38.71 2ppb s ASN 671 CO -0.09 -0.73 0.30 0.54 0.02 0.00 0.00 177.10 177.15 2ppb s VAL 672 N -0.08 -0.00 0.10 1.60 0.11 -1.09 -4.98 120.40 116.05 2ppb s VAL 672 Ca 0.59 0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 59.34 2ppb s VAL 672 Cb -0.43 -0.43 -0.07 0.00 -1.53 0.00 0.00 36.38 33.92 2ppb s VAL 672 CO 0.45 0.00 1.32 -0.22 -3.33 0.00 0.00 175.10 173.32 2ppb s LEU 673 N 0.21 4.37 -0.03 2.54 0.20 -1.26 -1.51 118.68 123.19 2ppb s LEU 673 Ca -0.00 2.22 0.01 0.00 0.69 0.00 0.00 54.13 57.04 2ppb s LEU 673 Cb -0.02 -3.58 0.02 0.00 -0.43 0.00 0.00 46.19 42.17 2ppb s LEU 673 CO 0.00 -0.59 -0.04 0.54 -0.29 0.00 0.00 176.35 175.97 2ppb s VAL 674 N 1.09 0.44 -0.18 1.68 0.11 0.91 -1.19 120.40 123.26 2ppb s VAL 674 Ca 0.63 -0.12 -0.15 0.00 -2.93 0.00 0.00 61.98 59.41 2ppb s VAL 674 Cb -0.34 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 2ppb s VAL 674 CO 0.30 0.18 0.35 0.00 -3.33 0.00 0.00 175.10 172.60 2ppb s ALA 675 N 0.62 3.56 -1.13 1.54 0.00 -0.89 -1.30 121.76 124.16 2ppb s ALA 675 Ca -0.08 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 2ppb s ALA 675 Cb -0.11 -2.53 0.26 0.00 0.00 0.00 0.00 23.12 20.74 2ppb s ALA 675 CO -0.00 -0.13 1.83 -0.89 0.00 0.00 0.00 175.76 176.57 2ppb n ILE 676 N 4.01 5.50 -4.55 0.00 -0.00 -0.89 -2.15 119.36 121.28 2ppb n ILE 676 Ca -0.10 -5.46 -0.26 0.00 -0.00 0.00 0.00 62.75 56.92 2ppb n ILE 676 Cb 0.51 -1.91 -0.08 0.00 -0.00 0.00 0.00 39.64 38.16 2ppb n ILE 676 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2ppb s MET 677 N -2.67 1.94 -0.11 0.38 0.23 -0.86 -4.49 119.30 113.71 2ppb s MET 677 Ca 0.39 -2.18 -0.13 0.00 -1.03 0.00 0.00 55.69 52.75 2ppb s MET 677 Cb 0.13 -0.82 -0.05 0.00 -1.53 0.00 0.00 34.83 32.56 2ppb s MET 677 CO -0.03 -0.41 0.29 -2.14 -2.03 0.00 0.00 175.02 170.70 2ppb s PRO 678 N -3.76 3.99 0.00 3.16 0.02 -1.26 -3.89 135.00 133.25 2ppb s PRO 678 Ca 0.22 0.13 0.00 0.00 0.02 0.00 0.00 61.00 61.38 2ppb s PRO 678 Cb 0.03 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.23 2ppb s PRO 678 CO 0.13 0.48 0.00 0.34 -0.33 0.00 0.00 177.00 177.62 2ppb n PHE 679 N 2.75 -2.61 0.00 6.54 7.35 -1.26 -5.06 117.46 125.17 2ppb n PHE 679 Ca -0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.55 2ppb n PHE 679 Cb 0.53 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.36 2ppb n PHE 679 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2ppb n ASP 680 N -2.63 0.00 0.00 -2.13 9.92 -1.26 -4.61 116.55 115.84 2ppb n ASP 680 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2ppb n ASP 680 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2ppb n ASP 680 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ppb n GLY 681 N 0.00 -0.05 0.34 0.44 0.00 -1.26 -4.78 105.19 99.88 2ppb n GLY 681 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 2ppb n GLY 681 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2ppb h TYR 682 N 0.00 0.00 -2.07 1.61 0.05 -1.96 -2.03 116.97 112.57 2ppb h TYR 682 Ca 0.00 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.23 2ppb h TYR 682 Cb 0.45 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 37.79 2ppb h TYR 682 CO 0.00 0.00 -0.98 0.27 -1.05 0.00 0.00 178.16 176.40 2ppb n ASN 683 N -3.10 1.62 0.00 3.88 6.94 -1.26 -3.60 115.26 119.74 2ppb n ASN 683 Ca -0.02 -3.06 0.00 0.00 -0.02 0.00 0.00 54.58 51.48 2ppb n ASN 683 Cb 0.28 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 37.07 2ppb n ASN 683 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2ppb n PHE 684 N 0.74 0.00 -0.12 -2.53 7.35 -0.76 -4.63 117.46 117.50 2ppb n PHE 684 Ca 0.25 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.68 2ppb n PHE 684 Cb 0.53 -0.17 -0.11 0.00 0.35 0.00 0.00 39.48 40.08 2ppb n PHE 684 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2ppb n GLU 685 N -1.02 0.59 -2.76 -4.13 1.02 -1.26 -4.79 120.64 108.30 2ppb n GLU 685 Ca 0.00 0.36 -0.09 0.00 -0.02 0.00 0.00 57.16 57.41 2ppb n GLU 685 Cb 0.00 -1.59 0.08 0.00 -0.02 0.00 0.00 31.44 29.91 2ppb n GLU 685 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2ppb n ASP 686 N -4.20 -1.07 -4.69 1.62 9.92 -1.26 -4.63 116.55 112.24 2ppb n ASP 686 Ca -0.46 -2.93 -0.28 0.00 -0.53 0.00 0.00 54.79 50.59 2ppb n ASP 686 Cb 0.84 0.79 -0.08 0.00 -0.64 0.00 0.00 41.12 42.03 2ppb n ASP 686 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ppb s ALA 687 N -0.72 3.29 -0.07 2.24 0.00 -1.26 -3.20 121.76 122.04 2ppb s ALA 687 Ca 0.25 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 51.03 2ppb s ALA 687 Cb 0.37 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2ppb s ALA 687 CO -0.05 0.60 -0.20 0.42 0.00 0.00 0.00 175.76 176.53 2ppb s ILE 688 N -1.51 1.71 -0.30 0.00 1.09 0.66 -4.20 121.20 118.64 2ppb s ILE 688 Ca 0.27 -0.84 -0.13 0.00 -1.10 0.00 0.00 60.65 58.85 2ppb s ILE 688 Cb -0.11 -1.48 -0.04 0.00 -1.06 0.00 0.00 42.46 39.78 2ppb s ILE 688 CO 0.19 0.48 0.26 -0.69 -0.10 0.00 0.00 174.94 175.08 2ppb s VAL 689 N 0.25 5.26 0.03 2.92 1.01 -1.24 -0.25 120.40 128.39 2ppb s VAL 689 Ca -0.12 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2ppb s VAL 689 Cb -0.15 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2ppb s VAL 689 CO 0.05 0.13 -0.03 -0.51 0.00 0.00 0.00 175.10 174.74 2ppb s ILE 690 N 1.85 3.91 -0.09 2.22 2.07 -0.40 -1.50 121.20 129.26 2ppb s ILE 690 Ca 0.09 -0.80 -0.23 0.00 -1.41 0.00 0.00 60.65 58.30 2ppb s ILE 690 Cb -0.16 -2.77 -0.03 0.00 0.13 0.00 0.00 42.46 39.62 2ppb s ILE 690 CO 0.11 0.30 0.69 -0.55 -1.91 0.00 0.00 174.94 173.57 2ppb s SER 691 N -1.76 6.94 0.65 4.50 0.15 0.14 0.09 113.70 124.41 2ppb s SER 691 Ca 0.21 1.13 0.27 0.00 0.70 0.00 0.00 55.95 58.25 2ppb s SER 691 Cb -0.11 -2.40 1.42 0.00 -1.71 0.00 0.00 66.02 63.22 2ppb s SER 691 CO 0.12 -0.14 1.81 -0.08 1.20 0.00 0.00 173.24 176.15 2ppb h GLU 692 N 6.85 0.00 -0.18 5.44 4.81 -0.22 0.81 114.58 132.08 2ppb h GLU 692 Ca -0.40 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2ppb h GLU 692 Cb 1.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2ppb h GLU 692 CO 0.76 0.00 0.11 0.93 -0.73 0.00 0.00 179.01 180.08 2ppb h GLU 693 N 0.00 0.25 0.00 1.92 3.07 -1.92 -0.72 114.58 117.18 2ppb h GLU 693 Ca 0.05 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.85 2ppb h GLU 693 Cb 0.94 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.78 2ppb h GLU 693 CO -0.00 0.18 -0.21 -0.07 -1.40 0.00 0.00 179.01 177.51 2ppb h LEU 694 N 0.25 0.00 0.13 1.33 3.38 -1.12 -2.83 115.31 116.45 2ppb h LEU 694 Ca 0.07 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.74 2ppb h LEU 694 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2ppb h LEU 694 CO -0.01 0.21 -1.41 -0.07 0.09 0.00 0.00 178.44 177.24 2ppb h LEU 695 N 0.00 0.44 -0.08 1.67 3.38 -1.30 -2.64 115.31 116.78 2ppb h LEU 695 Ca -0.00 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.46 2ppb h LEU 695 Cb 0.47 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 2ppb h LEU 695 CO 0.03 1.43 -0.49 0.11 0.09 0.00 0.00 178.44 179.61 2ppb h LYS 696 N 0.08 -0.54 -5.90 1.13 1.79 -1.20 -3.27 116.57 108.66 2ppb h LYS 696 Ca -0.20 0.04 -0.61 0.00 -2.18 0.00 0.00 60.65 57.70 2ppb h LYS 696 Cb 2.01 0.12 -0.11 0.00 -1.58 0.00 0.00 32.23 32.67 2ppb h LYS 696 CO 0.19 -0.36 0.44 -0.98 -1.08 0.00 0.00 179.45 177.66 2ppb s ARG 697 N -5.47 3.64 -0.64 3.15 1.70 -1.20 -4.93 118.95 115.19 2ppb s ARG 697 Ca -0.14 0.22 -0.14 0.00 -0.47 0.00 0.00 55.73 55.20 2ppb s ARG 697 Cb 0.06 -3.86 -0.16 0.00 -0.57 0.00 0.00 34.95 30.42 2ppb s ARG 697 CO 0.55 -1.00 1.78 -0.25 -1.08 0.00 0.00 175.30 175.30 2ppb n ASP 698 N 6.68 -0.31 -0.07 -2.89 10.43 -1.23 -4.56 116.55 124.60 2ppb n ASP 698 Ca 0.04 -1.57 -0.16 0.00 2.57 0.00 0.00 54.79 55.67 2ppb n ASP 698 Cb 0.48 -1.09 -0.14 0.00 1.84 0.00 0.00 41.12 42.21 2ppb n ASP 698 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 2ppb n PHE 699 N 11.57 0.52 -3.75 1.24 3.01 -1.00 -4.59 117.46 124.46 2ppb n PHE 699 Ca 0.33 0.13 -0.28 0.00 1.01 0.00 0.00 57.45 58.64 2ppb n PHE 699 Cb 0.41 -1.08 -0.11 0.00 -0.01 0.00 0.00 39.48 38.69 2ppb n PHE 699 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2ppb n TYR 700 N -3.18 2.16 -4.60 1.38 0.53 -1.26 -4.76 117.16 107.43 2ppb n TYR 700 Ca -0.35 -4.05 -0.24 0.00 -1.02 0.00 0.00 57.90 52.25 2ppb n TYR 700 Cb 1.05 -0.39 -0.16 0.00 -1.03 0.00 0.00 39.34 38.81 2ppb n TYR 700 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 2ppb s THR 701 N -1.11 1.11 -0.01 -0.72 2.01 -1.26 -1.15 115.64 114.51 2ppb s THR 701 Ca 0.28 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.78 2ppb s THR 701 Cb -0.01 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2ppb s THR 701 CO -0.17 0.34 -0.05 -0.94 -0.69 0.00 0.00 174.62 173.11 2ppb s SER 702 N 0.33 0.63 -0.05 3.53 1.04 -1.19 -3.44 113.70 114.55 2ppb s SER 702 Ca -0.08 -0.09 -0.20 0.00 0.48 0.00 0.00 55.95 56.07 2ppb s SER 702 Cb -0.12 -0.13 -0.05 0.00 0.10 0.00 0.00 66.02 65.82 2ppb s SER 702 CO 0.02 0.03 0.55 -0.63 0.98 0.00 0.00 173.24 174.20 2ppb s ILE 703 N 0.13 5.03 -0.12 -1.02 1.09 -1.26 -0.78 121.20 124.28 2ppb s ILE 703 Ca -0.01 1.14 0.00 0.00 -1.10 0.00 0.00 60.65 60.68 2ppb s ILE 703 Cb -0.05 -3.89 0.02 0.00 -1.06 0.00 0.00 42.46 37.48 2ppb s ILE 703 CO -0.00 0.38 -0.11 -2.28 -0.10 0.00 0.00 174.94 172.82 2ppb s HIS 704 N 0.15 1.76 -0.20 3.97 2.46 -0.80 -3.89 115.29 118.75 2ppb s HIS 704 Ca 0.30 -0.89 -0.05 0.00 0.47 0.00 0.00 55.06 54.89 2ppb s HIS 704 Cb -0.17 -1.35 -0.02 0.00 -0.13 0.00 0.00 32.58 30.90 2ppb s HIS 704 CO 0.15 -0.53 -0.00 0.42 -2.47 0.00 0.00 174.74 172.31 2ppb s ILE 705 N 1.40 3.94 0.02 0.89 1.01 -1.12 -1.78 121.20 125.56 2ppb s ILE 705 Ca 0.01 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.42 2ppb s ILE 705 Cb -0.13 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 2ppb s ILE 705 CO -0.06 0.44 -0.26 -0.70 0.00 0.00 0.00 174.94 174.35 2ppb s GLU 706 N 0.94 1.94 -0.88 2.79 2.56 -0.35 -4.34 118.70 121.36 2ppb s GLU 706 Ca 0.01 -1.03 -0.03 0.00 0.00 0.00 0.00 54.97 53.92 2ppb s GLU 706 Cb -0.14 -2.01 0.22 0.00 2.00 0.00 0.00 34.13 34.20 2ppb s GLU 706 CO 0.02 0.53 0.77 0.50 -0.56 0.00 0.00 175.26 176.52 2ppb s ARG 707 N -0.96 3.28 0.55 4.30 3.52 -1.26 -1.25 118.95 127.14 2ppb s ARG 707 Ca 0.11 -3.18 -0.19 0.00 -0.13 0.00 0.00 55.73 52.34 2ppb s ARG 707 Cb -0.10 -3.99 -0.05 0.00 -1.56 0.00 0.00 34.95 29.25 2ppb s ARG 707 CO 0.01 -1.25 1.14 0.71 -0.81 0.00 0.00 175.30 175.09 2ppb s TYR 708 N -1.17 2.64 -0.07 5.12 1.51 -1.02 -4.82 117.35 119.53 2ppb s TYR 708 Ca 0.26 1.54 -0.09 0.00 -1.01 0.00 0.00 57.07 57.78 2ppb s TYR 708 Cb -0.09 -3.30 0.02 0.00 -0.11 0.00 0.00 41.96 38.48 2ppb s TYR 708 CO -0.11 -1.65 0.23 -2.00 -1.11 0.00 0.00 175.55 170.91 2ppb s GLU 709 N -3.33 0.32 0.05 -0.62 2.12 -1.26 -0.60 118.70 115.38 2ppb s GLU 709 Ca 0.73 0.22 0.04 0.00 0.36 0.00 0.00 54.97 56.32 2ppb s GLU 709 Cb -0.24 0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.28 2ppb s GLU 709 CO 0.28 -0.05 -0.12 -1.50 -0.54 0.00 0.00 175.26 173.33 2ppb s ILE 710 N -0.13 0.90 -0.02 -3.70 2.07 -0.31 -4.98 121.20 115.04 2ppb s ILE 710 Ca -0.02 -1.04 0.05 0.00 -1.41 0.00 0.00 60.65 58.22 2ppb s ILE 710 Cb -0.03 -0.86 -0.01 0.00 0.13 0.00 0.00 42.46 41.69 2ppb s ILE 710 CO 0.01 -0.15 -0.16 -1.61 -1.91 0.00 0.00 174.94 171.11 2ppb s GLU 711 N -1.34 1.38 -0.74 3.50 2.02 -1.26 0.64 118.70 122.90 2ppb s GLU 711 Ca -0.02 -0.57 -0.24 0.00 0.02 0.00 0.00 54.97 54.15 2ppb s GLU 711 Cb -0.09 -1.31 0.06 0.00 0.10 0.00 0.00 34.13 32.90 2ppb s GLU 711 CO 0.01 0.32 1.12 0.00 0.02 0.00 0.00 175.26 176.73 2ppb s ALA 712 N -0.28 2.99 0.38 5.21 0.00 0.12 -4.98 121.76 125.19 2ppb s ALA 712 Ca 0.04 -1.80 -0.11 0.00 0.00 0.00 0.00 51.96 50.10 2ppb s ALA 712 Cb -0.07 -4.06 -0.07 0.00 0.00 0.00 0.00 23.12 18.93 2ppb s ALA 712 CO -0.00 -3.02 0.74 1.03 0.00 0.00 0.00 175.76 174.51 2ppb s ARG 713 N 4.56 3.80 -0.52 0.00 0.52 -1.26 -0.95 118.95 125.09 2ppb s ARG 713 Ca 0.29 0.46 -0.17 0.00 -0.52 0.00 0.00 55.73 55.79 2ppb s ARG 713 Cb -0.12 -2.42 0.10 0.00 0.52 0.00 0.00 34.95 33.03 2ppb s ARG 713 CO 0.09 0.01 0.51 0.34 0.02 0.00 0.00 175.30 176.27 2ppb s ASP 714 N -3.03 6.18 0.15 0.23 2.15 -1.02 -1.21 116.67 120.11 2ppb s ASP 714 Ca 0.51 -1.47 0.02 0.00 0.43 0.00 0.00 52.55 52.03 2ppb s ASP 714 Cb -0.10 -2.22 -0.04 0.00 -0.30 0.00 0.00 42.92 40.26 2ppb s ASP 714 CO 0.29 -0.83 0.29 -0.89 -0.17 0.00 0.00 175.17 173.87 2ppb s THR 715 N 1.89 5.31 -2.00 1.71 2.01 -1.26 -4.96 115.64 118.35 2ppb s THR 715 Ca 0.06 -0.60 0.19 0.00 0.31 0.00 0.00 61.69 61.65 2ppb s THR 715 Cb -0.26 -3.73 0.53 0.00 0.01 0.00 0.00 72.50 69.06 2ppb s THR 715 CO 0.06 -0.08 1.52 0.29 -0.69 0.00 0.00 174.62 175.72 2ppb n LYS 716 N -0.47 0.61 0.04 4.92 5.02 -1.26 -1.59 118.16 125.44 2ppb n LYS 716 Ca -0.06 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.34 2ppb n LYS 716 Cb 0.54 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.98 2ppb n LYS 716 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2ppb n LEU 717 N -0.98 0.40 0.00 -0.35 4.77 -1.26 -5.03 117.00 114.55 2ppb n LEU 717 Ca 0.14 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2ppb n LEU 717 Cb 0.06 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2ppb n LEU 717 CO 0.11 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 2ppb n GLY 718 N 1.24 4.20 3.58 -0.72 0.00 -0.62 -4.89 105.19 107.97 2ppb n GLY 718 Ca -0.02 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 2ppb n GLY 718 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ppb n PRO 719 N -0.38 1.24 -2.66 1.61 -0.02 -1.25 -3.99 135.00 129.55 2ppb n PRO 719 Ca 0.00 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 2ppb n PRO 719 Cb 0.00 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 2ppb n PRO 719 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2ppb s GLU 720 N -1.78 3.43 0.39 -0.52 2.02 -0.35 -4.82 118.70 117.07 2ppb s GLU 720 Ca 0.61 0.05 -0.18 0.00 0.02 0.00 0.00 54.97 55.47 2ppb s GLU 720 Cb -0.62 -4.04 -0.10 0.00 0.10 0.00 0.00 34.13 29.47 2ppb s GLU 720 CO 0.58 -1.65 0.86 1.03 0.02 0.00 0.00 175.26 176.09 2ppb s ARG 721 N 4.69 4.12 -0.44 1.61 0.52 -0.88 -4.40 118.95 124.17 2ppb s ARG 721 Ca 0.38 0.91 -0.07 0.00 -0.52 0.00 0.00 55.73 56.43 2ppb s ARG 721 Cb -0.09 -2.29 0.10 0.00 0.52 0.00 0.00 34.95 33.19 2ppb s ARG 721 CO 0.23 0.04 0.28 -1.50 0.02 0.00 0.00 175.30 174.36 2ppb s ILE 722 N -2.11 3.95 0.17 1.52 2.07 -1.26 -0.51 121.20 125.02 2ppb s ILE 722 Ca 0.58 -1.73 -0.05 0.00 -1.41 0.00 0.00 60.65 58.04 2ppb s ILE 722 Cb -0.10 -3.56 -0.02 0.00 0.13 0.00 0.00 42.46 38.91 2ppb s ILE 722 CO 0.16 -0.66 0.20 0.28 -1.91 0.00 0.00 174.94 173.01 2ppb s THR 723 N 1.32 0.06 -0.13 4.00 -1.32 -1.21 -4.75 115.64 113.61 2ppb s THR 723 Ca 0.05 -1.67 0.27 0.00 -1.21 0.00 0.00 61.69 59.14 2ppb s THR 723 Cb -0.24 -2.06 0.29 0.00 -1.51 0.00 0.00 72.50 68.97 2ppb s THR 723 CO -0.01 -0.27 1.83 -0.09 -2.21 0.00 0.00 174.62 173.87 2ppb h ARG 724 N 2.63 0.00 -6.53 7.08 2.43 -1.84 -3.39 114.38 114.76 2ppb h ARG 724 Ca -0.33 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.28 2ppb h ARG 724 Cb 1.22 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.72 2ppb h ARG 724 CO 0.51 0.00 1.06 -0.51 -1.51 0.00 0.00 179.97 179.52 2ppb s ASP 725 N -4.50 6.33 -0.89 -3.80 1.01 -1.26 -4.84 116.67 108.71 2ppb s ASP 725 Ca 0.00 0.62 -0.04 0.00 0.71 0.00 0.00 52.55 53.84 2ppb s ASP 725 Cb 0.09 -2.54 0.22 0.00 1.01 0.00 0.00 42.92 41.69 2ppb s ASP 725 CO 0.34 -1.48 0.79 -0.63 0.21 0.00 0.00 175.17 174.40 2ppb s ILE 726 N 5.44 4.59 0.00 0.77 1.09 -1.26 -4.81 121.20 127.01 2ppb s ILE 726 Ca 0.57 -3.63 0.00 0.00 -1.10 0.00 0.00 60.65 56.49 2ppb s ILE 726 Cb -0.12 -3.84 0.00 0.00 -1.06 0.00 0.00 42.46 37.44 2ppb s ILE 726 CO 0.31 -1.07 0.00 -2.65 -0.10 0.00 0.00 174.94 171.42 2ppb n PRO 727 N 2.60 0.00 -0.08 2.79 -0.02 -1.26 -3.76 135.00 135.27 2ppb n PRO 727 Ca 0.20 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.58 2ppb n PRO 727 Cb 0.38 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.76 2ppb n PRO 727 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2ppb n HIS 728 N -2.45 0.00 0.00 6.00 8.25 -1.26 -4.96 115.22 120.80 2ppb n HIS 728 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2ppb n HIS 728 Cb 0.00 -0.73 0.00 0.00 1.12 0.00 0.00 29.99 30.38 2ppb n HIS 728 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ppb n LEU 729 N -2.80 0.00 -3.76 2.41 4.77 -1.25 -5.14 117.00 111.24 2ppb n LEU 729 Ca -0.29 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.59 2ppb n LEU 729 Cb 0.92 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.95 2ppb n LEU 729 CO 0.26 0.00 0.02 -0.94 -1.33 0.00 0.00 177.39 175.40 2ppb s SER 730 N -2.11 -0.06 0.03 -1.43 1.04 -1.26 -4.98 113.70 104.93 2ppb s SER 730 Ca 0.00 -0.43 0.11 0.00 0.48 0.00 0.00 55.95 56.12 2ppb s SER 730 Cb 0.00 0.39 -0.20 0.00 0.10 0.00 0.00 66.02 66.30 2ppb s SER 730 CO 0.00 -0.74 0.90 -0.08 0.98 0.00 0.00 173.24 174.30 2ppb h GLU 731 N 2.74 0.00 -0.11 4.02 4.57 -1.98 -3.32 114.58 120.49 2ppb h GLU 731 Ca -0.33 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 57.88 2ppb h GLU 731 Cb 1.22 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2ppb h GLU 731 CO 0.51 0.63 0.10 0.00 -1.18 0.00 0.00 179.01 179.07 2ppb h ALA 732 N 1.06 1.86 -0.01 2.92 0.00 -2.03 0.65 119.26 123.72 2ppb h ALA 732 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2ppb h ALA 732 Cb 1.87 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2ppb h ALA 732 CO 0.09 -0.16 -0.33 0.00 0.00 0.00 0.00 179.25 178.86 2ppb n ALA 733 N -2.43 3.22 0.97 0.00 0.00 -1.25 -4.02 120.51 117.00 2ppb n ALA 733 Ca -0.00 -0.42 0.11 0.00 0.00 0.00 0.00 53.44 53.13 2ppb n ALA 733 Cb 0.21 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 2ppb n ALA 733 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ppb n LEU 734 N -0.75 1.91 0.34 0.00 7.94 0.20 -4.57 117.00 122.07 2ppb n LEU 734 Ca 0.11 -0.74 -0.16 0.00 -1.11 0.00 0.00 56.01 54.11 2ppb n LEU 734 Cb 0.35 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.23 2ppb n LEU 734 CO 0.28 0.36 0.53 0.08 -1.11 0.00 0.00 177.39 177.53 2ppb h ARG 735 N 2.17 -0.92 -0.68 1.96 0.11 -1.65 -2.75 114.38 112.62 2ppb h ARG 735 Ca 0.00 0.06 0.12 0.00 0.10 0.00 0.00 59.98 60.26 2ppb h ARG 735 Cb 0.72 0.21 -0.04 0.00 1.11 0.00 0.00 29.97 31.96 2ppb h ARG 735 CO 0.00 -0.62 0.46 -0.44 0.10 0.00 0.00 179.97 179.47 2ppb h ASP 736 N -0.96 0.42 0.00 0.08 3.45 -1.87 -2.67 116.42 114.86 2ppb h ASP 736 Ca -0.08 0.01 -0.62 0.00 0.43 0.00 0.00 57.03 56.77 2ppb h ASP 736 Cb 0.77 -0.07 0.02 0.00 -0.56 0.00 0.00 39.33 39.49 2ppb h ASP 736 CO 0.07 0.24 2.67 0.18 -1.57 0.00 0.00 179.24 180.83 2ppb n LEU 737 N -4.48 5.25 0.05 1.55 4.32 -1.04 -0.14 117.00 122.52 2ppb n LEU 737 Ca 0.12 -3.30 -0.05 0.00 -0.02 0.00 0.00 56.01 52.76 2ppb n LEU 737 Cb 0.42 -1.27 -0.03 0.00 -1.62 0.00 0.00 43.42 40.92 2ppb n LEU 737 CO 0.33 0.35 0.15 -0.78 -1.22 0.00 0.00 177.39 176.22 2ppb h ASP 738 N 6.94 -0.19 -2.58 -1.43 3.58 -1.55 -3.43 116.42 117.76 2ppb h ASP 738 Ca 0.50 -0.09 -0.53 0.00 0.42 0.00 0.00 57.03 57.33 2ppb h ASP 738 Cb 0.54 0.05 0.02 0.00 1.72 0.00 0.00 39.33 41.66 2ppb h ASP 738 CO 1.84 0.31 1.09 -1.61 -2.88 0.00 0.00 179.24 177.99 2ppb s GLU 739 N -2.46 4.17 -0.65 0.28 2.02 -1.16 -4.76 118.70 116.14 2ppb s GLU 739 Ca -0.05 2.41 -0.35 0.00 0.02 0.00 0.00 54.97 56.99 2ppb s GLU 739 Cb 0.00 -3.80 -0.19 0.00 0.10 0.00 0.00 34.13 30.25 2ppb s GLU 739 CO 0.18 -0.82 2.17 0.39 0.02 0.00 0.00 175.26 177.20 2ppb n GLU 740 N 6.34 0.00 0.00 1.61 4.71 -1.26 -0.78 120.64 131.26 2ppb n GLU 740 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 2ppb n GLU 740 Cb 0.41 -1.37 0.00 0.00 -1.01 0.00 0.00 31.44 29.47 2ppb n GLU 740 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ppb n GLY 741 N 6.44 2.54 3.84 0.62 0.00 -1.26 -4.54 105.19 112.83 2ppb n GLY 741 Ca 0.55 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2ppb n GLY 741 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 742 N 0.00 4.56 0.35 1.61 1.01 0.04 -2.98 120.40 124.99 2ppb s VAL 742 Ca 0.00 1.17 -0.25 0.00 0.00 0.00 0.00 61.98 62.89 2ppb s VAL 742 Cb 0.00 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 2ppb s VAL 742 CO 0.00 -0.28 0.97 0.54 0.00 0.00 0.00 175.10 176.33 2ppb s VAL 743 N -2.11 4.12 0.19 2.92 0.11 -1.19 -3.01 120.40 121.43 2ppb s VAL 743 Ca 0.57 1.70 -0.30 0.00 -2.93 0.00 0.00 61.98 61.02 2ppb s VAL 743 Cb -0.10 -3.91 -0.08 0.00 -1.53 0.00 0.00 36.38 30.76 2ppb s VAL 743 CO 0.17 0.08 1.03 0.00 -3.33 0.00 0.00 175.10 173.05 2ppb s ARG 744 N -2.22 4.69 0.30 1.54 1.04 0.81 -4.82 118.95 120.28 2ppb s ARG 744 Ca 0.52 1.61 -0.29 0.00 -1.04 0.00 0.00 55.73 56.53 2ppb s ARG 744 Cb -0.19 -3.29 -0.11 0.00 -2.04 0.00 0.00 34.95 29.32 2ppb s ARG 744 CO 0.24 0.23 1.47 0.42 -0.04 0.00 0.00 175.30 177.62 2ppb s ILE 745 N -0.51 2.41 0.00 4.99 1.09 -1.26 -2.67 121.20 125.25 2ppb s ILE 745 Ca 0.46 0.36 0.00 0.00 -1.10 0.00 0.00 60.65 60.37 2ppb s ILE 745 Cb -0.27 -3.23 0.00 0.00 -1.06 0.00 0.00 42.46 37.90 2ppb s ILE 745 CO 0.34 0.07 0.00 0.61 -0.10 0.00 0.00 174.94 175.85 2ppb n GLY 746 N 1.65 0.56 3.73 6.18 0.00 0.12 -4.99 105.19 112.43 2ppb n GLY 746 Ca 0.05 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 2ppb n GLY 746 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppb s ALA 747 N -2.00 3.68 -0.32 4.61 0.00 -1.09 -4.84 121.76 121.80 2ppb s ALA 747 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 2ppb s ALA 747 Cb 0.00 -2.20 -0.01 0.00 0.00 0.00 0.00 23.12 20.91 2ppb s ALA 747 CO 0.00 0.16 1.57 -2.00 0.00 0.00 0.00 175.76 175.49 2ppb s GLU 748 N 0.36 3.59 -0.33 0.00 2.12 -1.26 -1.67 118.70 121.51 2ppb s GLU 748 Ca 0.09 1.31 -0.06 0.00 0.36 0.00 0.00 54.97 56.67 2ppb s GLU 748 Cb -0.11 -4.07 0.04 0.00 0.26 0.00 0.00 34.13 30.25 2ppb s GLU 748 CO -0.01 -1.54 0.09 0.14 -0.54 0.00 0.00 175.26 173.40 2ppb s VAL 749 N 5.71 3.75 0.54 3.70 -7.23 0.14 -5.01 120.40 122.01 2ppb s VAL 749 Ca 0.69 -1.09 -0.04 0.00 -1.81 0.00 0.00 61.98 59.73 2ppb s VAL 749 Cb -0.20 -3.10 -0.00 0.00 0.56 0.00 0.00 36.38 33.64 2ppb s VAL 749 CO 0.31 -0.14 0.82 -0.54 -0.31 0.00 0.00 175.10 175.25 2ppb s LYS 750 N 1.41 3.05 0.23 4.82 3.01 -1.26 -3.39 119.74 127.61 2ppb s LYS 750 Ca -0.01 -0.10 -0.32 0.00 -1.01 0.00 0.00 55.97 54.53 2ppb s LYS 750 Cb -0.19 -2.36 -0.12 0.00 -1.01 0.00 0.00 37.83 34.14 2ppb s LYS 750 CO 0.02 -0.51 1.65 -2.30 0.51 0.00 0.00 175.35 174.72 2ppb n PRO 751 N -2.40 2.62 -0.28 -1.68 -0.02 -1.26 -2.57 135.00 129.40 2ppb n PRO 751 Ca 0.03 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2ppb n PRO 751 Cb 0.57 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2ppb n PRO 751 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppb n GLY 752 N 3.27 0.85 3.93 -1.23 0.00 -0.21 -4.93 105.19 106.87 2ppb n GLY 752 Ca 0.14 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 2ppb n GLY 752 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ppb s ASP 753 N -2.02 6.38 -0.13 1.61 1.01 -1.06 -4.74 116.67 117.71 2ppb s ASP 753 Ca 0.00 0.31 -0.29 0.00 0.71 0.00 0.00 52.55 53.28 2ppb s ASP 753 Cb 0.00 -1.97 -0.02 0.00 1.01 0.00 0.00 42.92 41.93 2ppb s ASP 753 CO 0.00 0.04 1.32 -0.63 0.21 0.00 0.00 175.17 176.11 2ppb s ILE 754 N -1.73 4.15 -0.05 0.77 -1.09 -1.26 -1.98 121.20 120.01 2ppb s ILE 754 Ca 0.37 1.41 -0.04 0.00 -2.23 0.00 0.00 60.65 60.15 2ppb s ILE 754 Cb -0.12 -3.91 -0.28 0.00 -1.58 0.00 0.00 42.46 36.58 2ppb s ILE 754 CO 0.28 -0.11 0.65 -0.07 -1.23 0.00 0.00 174.94 174.46 2ppb h LEU 755 N 9.60 0.41 -7.31 2.97 3.38 -1.63 -3.44 115.31 119.31 2ppb h LEU 755 Ca -0.29 -0.70 -0.12 0.00 0.09 0.00 0.00 57.88 56.86 2ppb h LEU 755 Cb 1.12 -0.13 -0.24 0.00 0.09 0.00 0.00 40.66 41.50 2ppb h LEU 755 CO 0.96 1.60 -0.22 -0.69 0.09 0.00 0.00 178.44 180.18 2ppb s VAL 756 N -2.59 0.00 -0.06 1.22 1.01 -1.19 -3.18 120.40 115.62 2ppb s VAL 756 Ca -0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2ppb s VAL 756 Cb 0.06 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 2ppb s VAL 756 CO 0.83 -0.01 0.15 -0.83 0.00 0.00 0.00 175.10 175.24 2ppb s GLY 757 N 0.15 2.15 -0.06 4.51 0.00 -1.16 -2.02 107.32 110.89 2ppb s GLY 757 Ca -0.01 -0.72 -0.10 0.00 0.00 0.00 0.00 44.72 43.90 2ppb s GLY 757 CO 0.01 -0.54 0.24 -1.60 0.00 0.00 0.00 173.10 171.22 2ppb s ARG 758 N -1.50 0.42 -0.16 2.90 3.52 -1.25 -3.35 118.95 119.53 2ppb s ARG 758 Ca 0.21 0.08 -0.00 0.00 -0.13 0.00 0.00 55.73 55.89 2ppb s ARG 758 Cb -0.12 0.19 0.04 0.00 -1.56 0.00 0.00 34.95 33.50 2ppb s ARG 758 CO 0.11 -0.08 -0.06 0.95 -0.81 0.00 0.00 175.30 175.41 2ppb s THR 759 N -0.50 1.16 0.10 4.11 -4.23 0.33 -2.42 115.64 114.19 2ppb s THR 759 Ca -0.06 -0.61 0.01 0.00 -1.18 0.00 0.00 61.69 59.85 2ppb s THR 759 Cb -0.04 -1.30 0.01 0.00 1.34 0.00 0.00 72.50 72.52 2ppb s THR 759 CO 0.01 0.18 0.07 -1.54 -0.54 0.00 0.00 174.62 172.80 2ppb n SER 760 N 4.86 1.46 -4.84 3.99 3.41 -0.56 -2.08 113.62 119.86 2ppb n SER 760 Ca -0.12 -1.36 -0.35 0.00 -0.26 0.00 0.00 58.87 56.77 2ppb n SER 760 Cb 0.48 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 2ppb n SER 760 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2ppb s PHE 761 N -0.62 3.45 0.08 7.33 0.40 -1.26 0.12 117.98 127.48 2ppb s PHE 761 Ca 0.05 0.36 -0.35 0.00 -0.60 0.00 0.00 56.93 56.40 2ppb s PHE 761 Cb -0.00 -1.84 -0.17 0.00 0.51 0.00 0.00 43.02 41.51 2ppb s PHE 761 CO 0.03 0.64 1.58 -0.22 0.70 0.00 0.00 175.22 177.95 2ppb h LYS 762 N 4.50 -0.97 0.00 0.44 3.64 -1.89 -3.43 116.57 118.86 2ppb h LYS 762 Ca -0.51 0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 58.78 2ppb h LYS 762 Cb 1.20 0.22 0.01 0.00 -0.41 0.00 0.00 32.23 33.25 2ppb h LYS 762 CO 0.61 -0.65 -0.03 0.41 -2.27 0.00 0.00 179.45 177.53 2ppb n GLY 763 N -1.56 2.07 0.14 5.01 0.00 -1.26 -5.01 105.19 104.58 2ppb n GLY 763 Ca -0.13 -2.17 -0.23 0.00 0.00 0.00 0.00 46.02 43.49 2ppb n GLY 763 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ppb h GLU 764 N 0.00 0.46 0.00 1.61 4.39 -1.96 -3.45 114.58 115.63 2ppb h GLU 764 Ca -0.08 -0.79 0.00 0.00 0.34 0.00 0.00 59.36 58.83 2ppb h GLU 764 Cb 0.38 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2ppb h GLU 764 CO 0.12 1.37 0.00 0.43 -1.16 0.00 0.00 179.01 179.77 2ppb n SER 765 N -3.65 0.00 -4.40 1.42 7.64 -1.26 -4.92 113.62 108.45 2ppb n SER 765 Ca -0.19 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.42 2ppb n SER 765 Cb 1.09 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 64.17 2ppb n SER 765 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2ppb s GLU 766 N -0.28 1.44 0.00 1.43 8.01 -1.26 -5.15 118.70 122.88 2ppb s GLU 766 Ca 0.00 -1.45 0.00 0.00 0.01 0.00 0.00 54.97 53.53 2ppb s GLU 766 Cb 0.00 -1.76 0.00 0.00 -4.31 0.00 0.00 34.13 28.06 2ppb s GLU 766 CO 0.00 0.39 0.00 -2.30 0.01 0.00 0.00 175.26 173.36 2ppb n PRO 767 N 0.45 1.34 -3.98 0.39 -0.02 -1.26 -4.41 135.00 127.52 2ppb n PRO 767 Ca -0.14 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.09 2ppb n PRO 767 Cb 0.55 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.86 2ppb n PRO 767 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2ppb s THR 768 N 0.00 0.86 0.34 3.45 2.01 -1.26 -4.97 115.64 116.07 2ppb s THR 768 Ca 0.00 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 61.81 2ppb s THR 768 Cb 0.00 -0.90 0.22 0.00 0.01 0.00 0.00 72.50 71.84 2ppb s THR 768 CO 0.00 0.33 1.95 -0.65 -0.69 0.00 0.00 174.62 175.57 2ppb h PRO 769 N 7.99 0.76 0.10 4.92 0.11 -1.99 0.35 132.00 144.23 2ppb h PRO 769 Ca -0.28 -0.08 -0.29 0.00 0.11 0.00 0.00 66.00 65.45 2ppb h PRO 769 Cb 1.14 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2ppb h PRO 769 CO 0.39 0.58 -1.48 0.93 -0.21 0.00 0.00 178.00 178.21 2ppb h GLU 770 N 0.76 0.21 0.00 1.05 5.08 -2.02 -3.29 114.58 116.37 2ppb h GLU 770 Ca 0.19 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2ppb h GLU 770 Cb 0.06 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2ppb h GLU 770 CO -0.03 1.06 0.00 1.49 -1.00 0.00 0.00 179.01 180.53 2ppb h GLU 771 N 0.06 0.00 -0.29 2.33 4.22 -1.97 -3.20 114.58 115.73 2ppb h GLU 771 Ca -0.22 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.08 2ppb h GLU 771 Cb 1.99 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.24 2ppb h GLU 771 CO 0.15 0.00 -0.39 -0.09 -2.18 0.00 0.00 179.01 176.51 2ppb h ARG 772 N 0.00 0.78 -0.27 1.92 9.65 -0.99 -2.32 114.38 123.14 2ppb h ARG 772 Ca 0.00 -0.45 -0.12 0.00 -1.10 0.00 0.00 59.98 58.31 2ppb h ARG 772 Cb 0.86 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.47 2ppb h ARG 772 CO 0.00 1.08 -0.31 1.25 2.80 0.00 0.00 179.97 184.78 2ppb h LEU 773 N 0.54 0.75 -0.15 3.80 5.85 -1.65 -2.69 115.31 121.77 2ppb h LEU 773 Ca 0.04 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.30 2ppb h LEU 773 Cb 0.98 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 2ppb h LEU 773 CO 0.09 1.09 -0.04 0.25 -0.34 0.00 0.00 178.44 179.49 2ppb h LEU 774 N 0.43 -0.14 0.07 2.25 5.85 -1.56 -1.33 115.31 120.88 2ppb h LEU 774 Ca 0.04 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.81 2ppb h LEU 774 Cb 0.89 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2ppb h LEU 774 CO 0.08 -0.05 -0.12 0.03 -0.34 0.00 0.00 178.44 178.04 2ppb h ARG 775 N -0.00 -0.22 -0.52 1.25 2.47 -1.47 -3.03 114.38 112.86 2ppb h ARG 775 Ca 0.07 0.02 0.09 0.00 -1.26 0.00 0.00 59.98 58.90 2ppb h ARG 775 Cb 0.11 0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 28.41 2ppb h ARG 775 CO -0.15 -0.15 0.11 1.03 0.56 0.00 0.00 179.97 181.36 2ppb h SER 776 N -0.23 0.01 -0.12 7.04 0.87 -1.21 0.70 113.55 120.61 2ppb h SER 776 Ca 0.02 0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.72 2ppb h SER 776 Cb 0.25 0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.28 2ppb h SER 776 CO -0.07 0.03 -0.23 0.40 -0.53 0.00 0.00 176.83 176.44 2ppb h ILE 777 N 0.25 0.45 0.00 2.23 2.04 -1.13 -3.08 117.51 118.27 2ppb h ILE 777 Ca 0.26 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.94 2ppb h ILE 777 Cb 0.35 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2ppb h ILE 777 CO -0.34 0.00 -1.41 -0.26 0.00 0.00 0.00 178.15 176.14 2ppb h PHE 778 N -0.30 0.00 0.00 1.37 0.04 -1.49 -3.46 116.94 113.10 2ppb h PHE 778 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2ppb h PHE 778 Cb 0.44 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.59 2ppb h PHE 778 CO -0.32 0.63 0.00 0.41 -0.60 0.00 0.00 178.31 178.43 2ppb n GLY 779 N 1.41 -1.09 0.31 -1.45 0.00 0.23 -5.04 105.19 99.56 2ppb n GLY 779 Ca -0.10 0.81 0.13 0.00 0.00 0.00 0.00 46.02 46.86 2ppb n GLY 779 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ppb h GLU 780 N 0.00 0.30 -5.60 1.61 -0.00 -1.10 -3.30 114.58 106.48 2ppb h GLU 780 Ca 0.00 -0.02 -0.37 0.00 -0.00 0.00 0.00 59.36 58.97 2ppb h GLU 780 Cb 0.00 -0.07 -0.05 0.00 -0.00 0.00 0.00 28.75 28.63 2ppb h GLU 780 CO 0.00 0.20 1.13 -1.59 -0.00 0.00 0.00 179.01 178.75 2ppb s LYS 781 N -5.90 2.73 0.02 1.06 -2.85 -1.26 -4.64 119.74 108.89 2ppb s LYS 781 Ca -0.12 -1.04 0.05 0.00 -1.00 0.00 0.00 55.97 53.86 2ppb s LYS 781 Cb 0.26 -5.24 -0.02 0.00 -2.06 0.00 0.00 37.83 30.77 2ppb s LYS 781 CO 0.77 -3.56 -0.16 0.00 0.10 0.00 0.00 175.35 172.51 2ppb s ALA 782 N 9.75 1.32 -0.47 0.59 0.00 -1.24 -5.10 121.76 126.60 2ppb s ALA 782 Ca 0.66 -0.80 -0.27 0.00 0.00 0.00 0.00 51.96 51.55 2ppb s ALA 782 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2ppb s ALA 782 CO 0.08 0.29 1.81 0.50 0.00 0.00 0.00 175.76 178.44 2ppb s ARG 783 N -0.82 2.99 0.25 0.00 3.52 -1.26 -4.84 118.95 118.78 2ppb s ARG 783 Ca 0.04 1.00 0.09 0.00 -0.13 0.00 0.00 55.73 56.73 2ppb s ARG 783 Cb -0.07 -4.28 0.47 0.00 -1.56 0.00 0.00 34.95 29.50 2ppb s ARG 783 CO 0.01 -2.28 1.11 -0.25 -0.81 0.00 0.00 175.30 173.07 2ppb n ASP 784 N 11.48 0.22 -4.76 -2.12 8.00 -1.26 -4.71 116.55 123.41 2ppb n ASP 784 Ca 0.22 0.45 -0.41 0.00 0.71 0.00 0.00 54.79 55.76 2ppb n ASP 784 Cb 0.50 -0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 2ppb n ASP 784 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ppb s VAL 785 N -3.09 3.33 0.18 2.53 0.11 -1.26 -3.50 120.40 118.70 2ppb s VAL 785 Ca -0.01 1.28 -0.09 0.00 -2.93 0.00 0.00 61.98 60.23 2ppb s VAL 785 Cb 0.02 -3.81 -0.07 0.00 -1.53 0.00 0.00 36.38 30.99 2ppb s VAL 785 CO 0.08 0.28 0.49 -0.75 -3.33 0.00 0.00 175.10 171.87 2ppb s LYS 786 N -1.23 3.78 -0.59 1.54 2.20 0.34 -4.87 119.74 120.91 2ppb s LYS 786 Ca 0.47 0.22 -0.24 0.00 -0.36 0.00 0.00 55.97 56.06 2ppb s LYS 786 Cb -0.34 -2.77 0.05 0.00 -1.51 0.00 0.00 37.83 33.26 2ppb s LYS 786 CO 0.43 0.40 0.99 0.34 -0.36 0.00 0.00 175.35 177.15 2ppb s ASP 787 N -2.21 6.29 -0.60 1.43 -1.08 -1.26 -1.50 116.67 117.74 2ppb s ASP 787 Ca 0.43 -0.49 0.06 0.00 -0.52 0.00 0.00 52.55 52.03 2ppb s ASP 787 Cb -0.12 -2.45 0.22 0.00 -1.46 0.00 0.00 42.92 39.11 2ppb s ASP 787 CO 0.21 -1.35 0.60 0.35 0.52 0.00 0.00 175.17 175.50 2ppb n THR 788 N 6.17 1.31 -4.76 1.71 -2.24 -1.02 -5.01 114.28 110.45 2ppb n THR 788 Ca 0.01 -4.75 -0.33 0.00 -2.27 0.00 0.00 64.05 56.71 2ppb n THR 788 Cb 0.47 -2.06 -0.14 0.00 -2.10 0.00 0.00 70.33 66.50 2ppb n THR 788 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2ppb s SER 789 N -1.73 4.09 -0.23 3.42 0.01 -1.25 -3.76 113.70 114.25 2ppb s SER 789 Ca 0.34 -0.29 -0.37 0.00 1.31 0.00 0.00 55.95 56.94 2ppb s SER 789 Cb 0.09 -1.52 -0.14 0.00 0.21 0.00 0.00 66.02 64.66 2ppb s SER 789 CO -0.09 0.19 1.87 -0.11 0.41 0.00 0.00 173.24 175.51 2ppb n LEU 790 N 3.35 2.72 -4.74 2.44 7.94 -0.86 -4.92 117.00 122.93 2ppb n LEU 790 Ca -0.18 0.94 -0.24 0.00 -1.11 0.00 0.00 56.01 55.42 2ppb n LEU 790 Cb 0.53 -1.24 -0.07 0.00 0.53 0.00 0.00 43.42 43.17 2ppb n LEU 790 CO 0.30 -0.34 -0.18 -0.13 -1.11 0.00 0.00 177.39 175.93 2ppb s ARG 791 N 4.18 2.31 -0.46 1.96 1.81 -1.26 -1.63 118.95 125.86 2ppb s ARG 791 Ca 0.98 -1.66 -0.29 0.00 -1.72 0.00 0.00 55.73 53.04 2ppb s ARG 791 Cb -0.91 -2.10 0.02 0.00 -0.45 0.00 0.00 34.95 31.50 2ppb s ARG 791 CO 0.59 0.02 1.31 0.08 -0.68 0.00 0.00 175.30 176.61 2ppb s VAL 792 N -2.49 4.00 0.62 3.52 1.01 -0.84 -4.83 120.40 121.39 2ppb s VAL 792 Ca 0.39 1.00 -0.18 0.00 0.00 0.00 0.00 61.98 63.19 2ppb s VAL 792 Cb -0.00 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2ppb s VAL 792 CO 0.23 -0.91 1.10 -2.65 0.00 0.00 0.00 175.10 172.87 2ppb n PRO 793 N 8.08 0.98 -1.63 2.72 -0.02 -1.26 -1.04 135.00 142.83 2ppb n PRO 793 Ca 0.14 0.38 -0.38 0.00 -2.02 0.00 0.00 63.50 61.62 2ppb n PRO 793 Cb 0.48 -2.32 0.05 0.00 -0.02 0.00 0.00 33.50 31.69 2ppb n PRO 793 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2ppb n PRO 794 N -1.40 1.08 0.00 0.52 -0.02 -1.26 -4.16 135.00 129.76 2ppb n PRO 794 Ca 0.15 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2ppb n PRO 794 Cb 0.48 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2ppb n PRO 794 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppb n GLY 795 N 1.19 1.02 3.33 -1.23 0.00 -1.26 -5.07 105.19 103.18 2ppb n GLY 795 Ca 0.13 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 2ppb n GLY 795 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ppb s GLU 796 N 0.00 0.92 0.28 1.61 0.41 -1.26 -4.83 118.70 115.82 2ppb s GLU 796 Ca 0.00 -0.31 0.03 0.00 -0.41 0.00 0.00 54.97 54.28 2ppb s GLU 796 Cb 0.00 0.41 -0.06 0.00 -1.78 0.00 0.00 34.13 32.70 2ppb s GLU 796 CO 0.00 -0.31 0.03 0.20 -0.49 0.00 0.00 175.26 174.69 2ppb s GLY 797 N -1.92 1.81 0.00 -1.39 0.00 -1.26 -4.94 107.32 99.62 2ppb s GLY 797 Ca -0.06 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 42.75 2ppb s GLY 797 CO -0.01 -1.72 0.00 0.61 0.00 0.00 0.00 173.10 171.97 2ppb n GLY 798 N -0.54 2.76 3.51 0.20 0.00 -1.22 -4.79 105.19 105.12 2ppb n GLY 798 Ca -0.03 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 2ppb n GLY 798 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ppb s ILE 799 N 2.83 3.14 -0.46 -0.61 -0.00 0.41 -0.68 121.20 125.83 2ppb s ILE 799 Ca 0.00 -1.02 -0.29 0.00 -0.00 0.00 0.00 60.65 59.34 2ppb s ILE 799 Cb 0.00 -2.34 0.02 0.00 -0.00 0.00 0.00 42.46 40.14 2ppb s ILE 799 CO 0.00 0.36 1.31 0.68 -0.00 0.00 0.00 174.94 177.29 2ppb s VAL 800 N -0.95 3.99 -0.13 8.37 -7.23 -0.67 -1.55 120.40 122.23 2ppb s VAL 800 Ca 0.16 0.99 -0.08 0.00 -1.81 0.00 0.00 61.98 61.24 2ppb s VAL 800 Cb -0.11 -4.38 -0.26 0.00 0.56 0.00 0.00 36.38 32.19 2ppb s VAL 800 CO 0.06 -0.91 0.35 1.33 -0.31 0.00 0.00 175.10 175.63 2ppb n VAL 801 N 6.98 1.77 -3.93 1.32 0.24 -0.48 0.14 118.33 124.36 2ppb n VAL 801 Ca 0.14 -0.62 -0.09 0.00 -2.04 0.00 0.00 64.34 61.74 2ppb n VAL 801 Cb 0.48 -1.76 -0.09 0.00 -1.47 0.00 0.00 33.84 31.01 2ppb n VAL 801 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2ppb s ARG 802 N -2.55 0.68 -0.03 7.34 3.52 -1.16 -4.82 118.95 121.92 2ppb s ARG 802 Ca -0.23 -0.90 -0.05 0.00 -0.13 0.00 0.00 55.73 54.42 2ppb s ARG 802 Cb 0.07 0.26 0.01 0.00 -1.56 0.00 0.00 34.95 33.73 2ppb s ARG 802 CO 0.76 -0.18 0.12 0.95 -0.81 0.00 0.00 175.30 176.14 2ppb s THR 803 N -3.26 0.02 -0.07 4.11 -4.23 -1.26 -1.13 115.64 109.82 2ppb s THR 803 Ca 0.01 -0.16 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 2ppb s THR 803 Cb 0.03 -0.23 0.02 0.00 1.34 0.00 0.00 72.50 73.66 2ppb s THR 803 CO -0.08 -0.09 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.15 2ppb s VAL 804 N -0.25 0.81 -0.11 2.29 1.01 -0.37 -4.97 120.40 118.81 2ppb s VAL 804 Ca -0.03 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2ppb s VAL 804 Cb -0.02 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.57 2ppb s VAL 804 CO 0.00 0.30 -0.11 -0.60 0.00 0.00 0.00 175.10 174.69 2ppb s ARG 805 N 1.06 1.78 -0.49 2.72 3.52 -1.26 -0.15 118.95 126.13 2ppb s ARG 805 Ca -0.08 -0.38 -0.02 0.00 -0.13 0.00 0.00 55.73 55.11 2ppb s ARG 805 Cb -0.14 -1.67 0.13 0.00 -1.56 0.00 0.00 34.95 31.71 2ppb s ARG 805 CO -0.01 -0.17 0.29 -0.51 -0.81 0.00 0.00 175.30 174.10 2ppb s LEU 806 N 1.33 5.20 0.00 -0.88 1.43 -1.01 -5.03 118.68 119.72 2ppb s LEU 806 Ca -0.01 -2.37 -0.01 0.00 -1.03 0.00 0.00 54.13 50.71 2ppb s LEU 806 Cb -0.14 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.28 2ppb s LEU 806 CO -0.05 -0.47 0.17 0.54 0.23 0.00 0.00 176.35 176.78 2ppb n ARG 807 N 4.13 0.12 0.00 1.70 1.74 -1.26 -3.40 116.66 119.69 2ppb n ARG 807 Ca 0.02 -0.34 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 2ppb n ARG 807 Cb 0.40 -0.16 0.00 0.00 -1.02 0.00 0.00 32.46 31.68 2ppb n ARG 807 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ppb n ARG 808 N -1.35 0.00 -1.97 5.56 1.74 -1.26 -3.78 116.66 115.60 2ppb n ARG 808 Ca 0.02 0.47 -0.29 0.00 -0.77 0.00 0.00 57.85 57.29 2ppb n ARG 808 Cb 0.09 -0.93 -0.06 0.00 -1.02 0.00 0.00 32.46 30.53 2ppb n ARG 808 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ppb n GLY 809 N -0.96 1.05 3.67 -0.13 0.00 -1.26 -4.94 105.19 102.62 2ppb n GLY 809 Ca 0.00 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2ppb n GLY 809 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ppb s ASP 810 N 6.46 6.53 0.06 1.61 1.01 -1.25 -4.98 116.67 126.11 2ppb s ASP 810 Ca 0.68 2.54 -0.24 0.00 0.71 0.00 0.00 52.55 56.24 2ppb s ASP 810 Cb 0.00 -2.54 -0.11 0.00 1.01 0.00 0.00 42.92 41.28 2ppb s ASP 810 CO 0.14 -0.98 1.37 -0.65 0.21 0.00 0.00 175.17 175.27 2ppb h PRO 811 N 9.52 -0.61 0.00 8.23 0.11 -1.92 -3.40 132.00 143.92 2ppb h PRO 811 Ca -0.45 0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.56 2ppb h PRO 811 Cb 1.21 0.14 -0.13 0.00 0.11 0.00 0.00 31.00 32.33 2ppb h PRO 811 CO 0.94 -0.41 -0.25 0.41 -0.21 0.00 0.00 178.00 178.49 2ppb n GLY 812 N -1.37 1.43 3.94 -0.55 0.00 -1.26 -5.13 105.19 102.26 2ppb n GLY 812 Ca -0.07 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 2ppb n GLY 812 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppb s VAL 813 N 0.09 5.30 -0.48 1.61 0.11 -1.26 -5.05 120.40 120.72 2ppb s VAL 813 Ca 0.06 -0.64 -0.00 0.00 -2.93 0.00 0.00 61.98 58.47 2ppb s VAL 813 Cb 0.31 -3.75 0.13 0.00 -1.53 0.00 0.00 36.38 31.54 2ppb s VAL 813 CO -0.09 -0.12 0.25 -1.83 -3.33 0.00 0.00 175.10 169.98 2ppb s GLU 814 N -3.29 2.06 -0.10 1.54 1.03 -1.26 -4.99 118.70 113.69 2ppb s GLU 814 Ca 0.35 -2.18 -0.25 0.00 0.03 0.00 0.00 54.97 52.92 2ppb s GLU 814 Cb -0.11 -3.51 -0.03 0.00 -0.80 0.00 0.00 34.13 29.69 2ppb s GLU 814 CO 0.29 -1.08 0.81 -1.17 -1.33 0.00 0.00 175.26 172.77 2ppb s LEU 815 N 0.49 4.27 0.90 1.83 2.96 -1.26 -4.46 118.68 123.41 2ppb s LEU 815 Ca 0.13 1.27 -0.11 0.00 -0.22 0.00 0.00 54.13 55.20 2ppb s LEU 815 Cb -0.22 -3.23 0.14 0.00 0.50 0.00 0.00 46.19 43.37 2ppb s LEU 815 CO -0.04 -0.26 1.10 -0.54 -1.32 0.00 0.00 176.35 175.29 2ppb s LYS 816 N 1.40 1.16 0.67 1.98 1.02 -1.26 -4.95 119.74 119.76 2ppb s LYS 816 Ca 0.40 1.12 -0.16 0.00 0.02 0.00 0.00 55.97 57.36 2ppb s LYS 816 Cb -0.18 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 2ppb s LYS 816 CO 0.17 -2.39 1.17 -2.14 -0.92 0.00 0.00 175.35 171.24 2ppb s PRO 817 N -4.78 2.59 0.00 -1.68 0.02 -1.26 -2.49 135.00 127.40 2ppb s PRO 817 Ca 0.64 1.66 0.00 0.00 0.02 0.00 0.00 61.00 63.32 2ppb s PRO 817 Cb -0.20 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.42 2ppb s PRO 817 CO 0.58 -1.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.20 2ppb n GLY 818 N 0.13 1.30 3.57 0.52 0.00 -1.26 -4.90 105.19 104.56 2ppb n GLY 818 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 2ppb n GLY 818 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 819 N 0.00 3.37 0.07 1.61 1.01 -1.04 -2.45 120.40 122.97 2ppb s VAL 819 Ca 0.00 0.31 -0.20 0.00 0.00 0.00 0.00 61.98 62.09 2ppb s VAL 819 Cb 0.00 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 2ppb s VAL 819 CO 0.00 -0.57 1.51 -0.09 0.00 0.00 0.00 175.10 175.95 2ppb h ARG 820 N 14.52 0.33 -2.01 2.72 2.43 -1.34 -3.43 114.38 127.60 2ppb h ARG 820 Ca -0.29 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 58.80 2ppb h ARG 820 Cb 1.18 -0.03 -0.19 0.00 -0.42 0.00 0.00 29.97 30.51 2ppb h ARG 820 CO 1.12 0.53 0.38 -2.00 -1.51 0.00 0.00 179.97 178.49 2ppb s GLU 821 N -5.02 0.87 0.24 0.20 2.12 -1.21 -4.53 118.70 111.37 2ppb s GLU 821 Ca -0.14 0.02 0.11 0.00 0.36 0.00 0.00 54.97 55.32 2ppb s GLU 821 Cb 0.07 0.41 -0.05 0.00 0.26 0.00 0.00 34.13 34.82 2ppb s GLU 821 CO 0.73 -0.31 -0.13 0.14 -0.54 0.00 0.00 175.26 175.14 2ppb s VAL 822 N -1.84 2.87 -0.21 3.70 -7.23 -1.22 0.11 120.40 116.57 2ppb s VAL 822 Ca -0.03 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.07 2ppb s VAL 822 Cb -0.00 -2.47 0.09 0.00 0.56 0.00 0.00 36.38 34.56 2ppb s VAL 822 CO 0.01 -0.27 0.19 -0.69 -0.31 0.00 0.00 175.10 174.03 2ppb s VAL 823 N -2.11 -0.27 0.09 1.32 1.01 0.21 -2.40 120.40 118.25 2ppb s VAL 823 Ca 0.27 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 2ppb s VAL 823 Cb -0.07 -0.70 -0.07 0.00 0.00 0.00 0.00 36.38 35.55 2ppb s VAL 823 CO 0.15 -0.27 0.56 -0.13 0.00 0.00 0.00 175.10 175.41 2ppb s ARG 824 N 2.28 4.16 -0.32 2.72 0.52 0.79 -1.16 118.95 127.94 2ppb s ARG 824 Ca 0.06 0.69 -0.02 0.00 -0.52 0.00 0.00 55.73 55.94 2ppb s ARG 824 Cb -0.16 -3.18 0.11 0.00 0.52 0.00 0.00 34.95 32.24 2ppb s ARG 824 CO -0.14 0.61 0.14 0.08 0.02 0.00 0.00 175.30 176.00 2ppb s VAL 825 N -1.18 0.38 -0.10 3.52 1.01 0.23 -1.23 120.40 123.02 2ppb s VAL 825 Ca 0.31 -1.24 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 2ppb s VAL 825 Cb -0.19 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 2ppb s VAL 825 CO 0.19 -0.76 0.85 -0.31 0.00 0.00 0.00 175.10 175.07 2ppb s TYR 826 N 1.67 3.52 0.07 5.22 1.51 -0.28 -2.44 117.35 126.61 2ppb s TYR 826 Ca 0.11 1.39 0.09 0.00 -1.01 0.00 0.00 57.07 57.65 2ppb s TYR 826 Cb -0.18 -3.01 -0.03 0.00 -0.11 0.00 0.00 41.96 38.63 2ppb s TYR 826 CO -0.25 -0.11 -0.25 0.08 -1.11 0.00 0.00 175.55 173.91 2ppb s VAL 827 N 1.56 2.04 0.08 0.71 1.01 -0.38 -1.39 120.40 124.04 2ppb s VAL 827 Ca 0.42 -1.45 0.05 0.00 0.00 0.00 0.00 61.98 61.00 2ppb s VAL 827 Cb -0.18 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2ppb s VAL 827 CO 0.18 0.24 -0.12 0.00 0.00 0.00 0.00 175.10 175.39 2ppb s ALA 828 N -0.89 1.13 -0.03 5.51 0.00 -0.59 -1.21 121.76 125.67 2ppb s ALA 828 Ca 0.11 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 2ppb s ALA 828 Cb -0.10 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.99 2ppb s ALA 828 CO 0.03 0.09 0.28 1.14 0.00 0.00 0.00 175.76 177.30 2ppb s GLN 829 N -2.06 0.58 -0.27 0.00 -2.07 -0.73 -0.44 119.66 114.67 2ppb s GLN 829 Ca -0.00 -0.11 -0.25 0.00 -1.82 0.00 0.00 55.36 53.18 2ppb s GLN 829 Cb -0.08 0.26 -0.00 0.00 -1.09 0.00 0.00 33.01 32.10 2ppb s GLN 829 CO 0.02 -0.14 0.86 0.15 -1.32 0.00 0.00 175.29 174.85 2ppb s LYS 830 N -1.05 4.12 -0.95 9.60 1.02 -1.26 -1.90 119.74 129.32 2ppb s LYS 830 Ca -0.11 0.89 -0.17 0.00 0.02 0.00 0.00 55.97 56.60 2ppb s LYS 830 Cb -0.05 -3.68 0.16 0.00 -0.52 0.00 0.00 37.83 33.75 2ppb s LYS 830 CO 0.03 -0.61 1.08 1.03 -0.92 0.00 0.00 175.35 175.97 2ppb s ARG 831 N 2.98 3.69 0.06 1.68 1.81 0.04 -4.93 118.95 124.29 2ppb s ARG 831 Ca 0.36 -2.09 -0.31 0.00 -1.72 0.00 0.00 55.73 51.98 2ppb s ARG 831 Cb -0.15 -4.81 -0.07 0.00 -0.45 0.00 0.00 34.95 29.48 2ppb s ARG 831 CO 0.09 -1.64 1.36 0.15 -0.68 0.00 0.00 175.30 174.58 2ppb s LYS 832 N 1.81 4.33 -0.36 3.54 1.02 -1.26 -3.14 119.74 125.67 2ppb s LYS 832 Ca 0.31 1.98 -0.41 0.00 0.02 0.00 0.00 55.97 57.86 2ppb s LYS 832 Cb -0.06 -3.39 -0.16 0.00 -0.52 0.00 0.00 37.83 33.70 2ppb s LYS 832 CO -0.08 -0.45 1.82 -0.11 -0.92 0.00 0.00 175.35 175.60 2ppb n LEU 833 N 4.47 1.94 -4.58 3.17 7.94 -0.30 -4.93 117.00 124.72 2ppb n LEU 833 Ca 0.12 0.97 -0.26 0.00 -1.11 0.00 0.00 56.01 55.72 2ppb n LEU 833 Cb 0.44 -1.07 -0.11 0.00 0.53 0.00 0.00 43.42 43.20 2ppb n LEU 833 CO 0.58 -0.58 -0.28 0.00 -1.11 0.00 0.00 177.39 175.99 2ppb s GLN 834 N 4.06 1.88 0.46 1.96 -2.07 -1.26 -4.99 119.66 119.71 2ppb s GLN 834 Ca 1.04 -2.07 0.24 0.00 -1.82 0.00 0.00 55.36 52.75 2ppb s GLN 834 Cb -1.18 -1.42 1.25 0.00 -1.09 0.00 0.00 33.01 30.57 2ppb s GLN 834 CO 0.67 -0.10 1.86 -0.24 -1.32 0.00 0.00 175.29 176.16 2ppb h VAL 835 N 1.85 0.60 0.00 3.63 3.04 -1.92 -1.53 116.25 121.92 2ppb h VAL 835 Ca -0.43 -0.08 -0.06 0.00 -1.01 0.00 0.00 66.70 65.11 2ppb h VAL 835 Cb 1.24 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 2ppb h VAL 835 CO 0.77 0.04 -0.31 1.23 -1.01 0.00 0.00 177.57 178.30 2ppb h GLY 836 N 0.24 0.00 -1.17 3.17 0.00 -1.97 -3.30 103.07 100.05 2ppb h GLY 836 Ca 0.47 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.31 2ppb h GLY 836 CO -0.12 0.00 0.30 0.99 0.00 0.00 0.00 176.54 177.70 2ppb s ASP 837 N -6.42 4.13 0.02 0.19 1.11 -0.58 -4.82 116.67 110.31 2ppb s ASP 837 Ca -0.01 1.55 0.07 0.00 0.18 0.00 0.00 52.55 54.34 2ppb s ASP 837 Cb 0.12 -2.27 -0.02 0.00 1.07 0.00 0.00 42.92 41.82 2ppb s ASP 837 CO 0.67 -2.23 -0.21 -1.59 1.18 0.00 0.00 175.17 172.99 2ppb s LYS 838 N -4.98 1.51 0.08 8.23 -2.85 -1.26 -1.56 119.74 118.91 2ppb s LYS 838 Ca 0.62 -0.86 0.02 0.00 -1.00 0.00 0.00 55.97 54.74 2ppb s LYS 838 Cb -0.17 -1.56 -0.04 0.00 -2.06 0.00 0.00 37.83 34.01 2ppb s LYS 838 CO 0.56 0.41 -0.07 -0.48 0.10 0.00 0.00 175.35 175.87 2ppb s LEU 839 N -0.90 2.41 -0.06 2.77 2.34 -0.26 -1.27 118.68 123.71 2ppb s LEU 839 Ca 0.08 -0.83 -0.30 0.00 0.06 0.00 0.00 54.13 53.14 2ppb s LEU 839 Cb -0.08 -0.11 0.07 0.00 -0.56 0.00 0.00 46.19 45.50 2ppb s LEU 839 CO 0.01 -0.36 0.66 0.00 -1.06 0.00 0.00 176.35 175.60 2ppb s ALA 840 N -2.77 -1.72 0.39 1.48 0.00 -0.05 -2.29 121.76 116.80 2ppb s ALA 840 Ca 0.04 1.31 -0.02 0.00 0.00 0.00 0.00 51.96 53.29 2ppb s ALA 840 Cb -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 2ppb s ALA 840 CO -0.03 -0.36 0.62 0.54 0.00 0.00 0.00 175.76 176.53 2ppb s ASN 841 N -1.09 6.29 0.60 0.00 6.03 -1.01 -2.01 114.94 123.75 2ppb s ASN 841 Ca -0.10 0.61 0.29 0.00 -1.03 0.00 0.00 52.86 52.63 2ppb s ASN 841 Cb -0.01 -2.11 1.44 0.00 -3.03 0.00 0.00 41.25 37.55 2ppb s ASN 841 CO 0.09 -0.38 1.85 0.03 -2.03 0.00 0.00 177.10 176.66 2ppb h ARG 842 N 0.64 0.00 0.26 3.55 3.08 -1.92 -2.67 114.38 117.33 2ppb h ARG 842 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 2ppb h ARG 842 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2ppb h ARG 842 CO 0.62 0.00 -0.13 0.45 -1.07 0.00 0.00 179.97 179.84 2ppb h HIS 843 N 0.00 -0.33 0.00 3.04 3.86 -1.93 -3.40 115.15 116.39 2ppb h HIS 843 Ca 0.22 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 2ppb h HIS 843 Cb 1.29 0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.87 2ppb h HIS 843 CO 0.00 0.04 0.00 0.41 0.86 0.00 0.00 177.93 179.24 2ppb n GLY 844 N 0.19 0.00 3.59 2.45 0.00 -1.00 -4.01 105.19 106.41 2ppb n GLY 844 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2ppb n GLY 844 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ppb s ASN 845 N 0.00 5.81 0.13 1.61 0.01 -1.26 -4.90 114.94 116.34 2ppb s ASN 845 Ca 0.00 1.18 0.06 0.00 -0.71 0.00 0.00 52.86 53.39 2ppb s ASN 845 Cb 0.00 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 2ppb s ASN 845 CO 0.00 -1.80 -0.01 -0.75 -1.51 0.00 0.00 177.10 173.03 2ppb s LYS 846 N 5.84 2.45 0.00 -0.60 2.20 -1.26 -2.41 119.74 125.96 2ppb s LYS 846 Ca 0.78 -0.97 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 2ppb s LYS 846 Cb -0.21 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.67 2ppb s LYS 846 CO 0.32 0.50 0.00 0.41 -0.36 0.00 0.00 175.35 176.22 2ppb n GLY 847 N 0.27 1.00 3.78 5.54 0.00 -0.97 -4.86 105.19 109.95 2ppb n GLY 847 Ca -0.11 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 2ppb n GLY 847 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 848 N -2.00 4.38 -0.16 1.61 1.01 -1.19 -1.10 120.40 122.94 2ppb s VAL 848 Ca 0.00 -1.11 -0.29 0.00 0.00 0.00 0.00 61.98 60.58 2ppb s VAL 848 Cb 0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 2ppb s VAL 848 CO 0.00 -0.09 1.23 -0.69 0.00 0.00 0.00 175.10 175.55 2ppb s VAL 849 N -1.72 4.34 -0.16 2.92 1.01 -0.60 -0.25 120.40 125.94 2ppb s VAL 849 Ca 0.30 1.62 0.17 0.00 0.00 0.00 0.00 61.98 64.08 2ppb s VAL 849 Cb -0.10 -4.04 -0.25 0.00 0.00 0.00 0.00 36.38 31.98 2ppb s VAL 849 CO 0.23 -0.13 0.22 0.00 0.00 0.00 0.00 175.10 175.41 2ppb n ALA 850 N 6.44 1.62 -3.65 5.51 0.00 0.66 -4.36 120.51 126.71 2ppb n ALA 850 Ca 0.13 -1.16 -0.07 0.00 0.00 0.00 0.00 53.44 52.34 2ppb n ALA 850 Cb 0.45 -0.35 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 2ppb n ALA 850 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ppb s LYS 851 N -2.60 0.61 -0.87 0.00 2.20 -1.23 -4.98 119.74 112.86 2ppb s LYS 851 Ca -0.09 1.18 -0.20 0.00 -0.36 0.00 0.00 55.97 56.51 2ppb s LYS 851 Cb 0.07 0.25 0.11 0.00 -1.51 0.00 0.00 37.83 36.76 2ppb s LYS 851 CO 0.83 -0.17 1.10 0.96 -0.36 0.00 0.00 175.35 177.71 2ppb s ILE 852 N 1.88 4.61 0.37 5.43 -5.25 -1.26 -1.27 121.20 125.71 2ppb s ILE 852 Ca -0.09 -1.27 -0.25 0.00 -0.99 0.00 0.00 60.65 58.05 2ppb s ILE 852 Cb -0.07 -4.76 -0.09 0.00 2.95 0.00 0.00 42.46 40.48 2ppb s ILE 852 CO -0.18 -1.51 1.08 -0.76 -1.79 0.00 0.00 174.94 171.79 2ppb s LEU 853 N 3.07 4.24 0.28 0.37 1.02 0.11 -4.65 118.68 123.14 2ppb s LEU 853 Ca 0.30 2.15 -0.29 0.00 0.02 0.00 0.00 54.13 56.32 2ppb s LEU 853 Cb -0.08 -4.02 -0.09 0.00 0.02 0.00 0.00 46.19 42.01 2ppb s LEU 853 CO -0.05 -0.45 1.08 -2.84 0.02 0.00 0.00 176.35 174.11 2ppb s PRO 854 N -2.21 4.63 0.66 1.29 0.02 -1.26 0.50 135.00 138.62 2ppb s PRO 854 Ca 0.55 1.75 0.28 0.00 0.02 0.00 0.00 61.00 63.60 2ppb s PRO 854 Cb -0.26 -3.15 1.51 0.00 0.02 0.00 0.00 34.50 32.62 2ppb s PRO 854 CO 0.33 0.22 1.85 -0.24 -0.33 0.00 0.00 177.00 178.83 2ppb h VAL 855 N 3.04 0.02 -0.85 3.83 3.04 -1.93 -2.26 116.25 121.13 2ppb h VAL 855 Ca -0.47 0.00 0.11 0.00 -1.01 0.00 0.00 66.70 65.33 2ppb h VAL 855 Cb 1.21 0.62 -0.08 0.00 -2.01 0.00 0.00 31.29 31.03 2ppb h VAL 855 CO 0.67 0.00 0.49 -0.33 -1.01 0.00 0.00 177.57 177.38 2ppb h GLU 856 N 0.00 0.76 0.00 4.17 5.08 -1.94 -3.32 114.58 119.34 2ppb h GLU 856 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2ppb h GLU 856 Cb 0.79 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2ppb h GLU 856 CO -0.00 0.51 0.00 -0.40 -1.00 0.00 0.00 179.01 178.12 2ppb n ASP 857 N -4.75 0.95 -4.85 1.42 3.85 -0.85 -4.67 116.55 107.65 2ppb n ASP 857 Ca 0.15 -1.32 -0.31 0.00 -0.71 0.00 0.00 54.79 52.59 2ppb n ASP 857 Cb 0.31 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.09 2ppb n ASP 857 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2ppb s MET 858 N -0.32 3.53 -0.43 0.11 0.23 -1.22 -2.39 119.30 118.80 2ppb s MET 858 Ca 0.00 0.87 -0.43 0.00 -1.03 0.00 0.00 55.69 55.10 2ppb s MET 858 Cb 0.00 -2.07 -0.19 0.00 -1.53 0.00 0.00 34.83 31.04 2ppb s MET 858 CO 0.00 -0.62 1.45 -2.30 -2.03 0.00 0.00 175.02 171.52 2ppb n PRO 859 N -2.50 0.00 -4.72 3.16 -0.02 -1.17 -4.42 135.00 125.32 2ppb n PRO 859 Ca 0.07 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.28 2ppb n PRO 859 Cb 0.54 -1.40 -0.14 0.00 -0.02 0.00 0.00 33.50 32.48 2ppb n PRO 859 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2ppb s HIS 860 N 2.58 1.96 0.77 6.00 -3.43 -0.65 -2.56 115.29 119.97 2ppb s HIS 860 Ca 0.97 -0.39 -0.11 0.00 -0.80 0.00 0.00 55.06 54.73 2ppb s HIS 860 Cb -1.38 -1.17 0.05 0.00 -1.43 0.00 0.00 32.58 28.65 2ppb s HIS 860 CO 0.75 0.10 1.08 -1.17 -2.00 0.00 0.00 174.74 173.50 2ppb s LEU 861 N -1.20 2.86 0.19 5.38 0.20 -0.96 -0.99 118.68 124.15 2ppb s LEU 861 Ca 0.09 1.58 -0.22 0.00 0.69 0.00 0.00 54.13 56.27 2ppb s LEU 861 Cb -0.09 -4.28 0.11 0.00 -0.43 0.00 0.00 46.19 41.49 2ppb s LEU 861 CO 0.02 -1.89 1.57 -0.65 -0.29 0.00 0.00 176.35 175.11 2ppb h PRO 862 N -1.03 -0.14 -6.82 0.98 0.11 -1.89 -3.35 132.00 119.85 2ppb h PRO 862 Ca -0.45 0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.17 2ppb h PRO 862 Cb 1.24 0.03 0.02 0.00 0.11 0.00 0.00 31.00 32.40 2ppb h PRO 862 CO 0.56 -0.10 0.46 0.34 -0.21 0.00 0.00 178.00 179.05 2ppb s ASP 863 N -5.21 7.21 0.13 -2.05 3.68 -1.26 -4.88 116.67 114.29 2ppb s ASP 863 Ca -0.14 2.23 0.00 0.00 2.13 0.00 0.00 52.55 56.76 2ppb s ASP 863 Cb 0.16 -2.62 0.00 0.00 -1.45 0.00 0.00 42.92 39.01 2ppb s ASP 863 CO 0.68 -0.18 0.54 0.61 0.13 0.00 0.00 175.17 176.95 2ppb n GLY 864 N 1.09 -0.10 3.61 2.66 0.00 -1.26 -4.65 105.19 106.55 2ppb n GLY 864 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2ppb n GLY 864 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ppb s THR 865 N -2.18 3.05 0.16 2.61 -4.23 -1.26 -4.78 115.64 109.01 2ppb s THR 865 Ca 0.00 0.05 -0.09 0.00 -1.18 0.00 0.00 61.69 60.47 2ppb s THR 865 Cb 0.00 -3.06 -0.06 0.00 1.34 0.00 0.00 72.50 70.72 2ppb s THR 865 CO 0.00 -0.03 0.46 -2.16 -0.54 0.00 0.00 174.62 172.35 2ppb s PRO 866 N 6.10 3.75 0.58 3.99 0.05 -1.26 -2.27 135.00 145.94 2ppb s PRO 866 Ca 0.98 0.16 -0.17 0.00 0.05 0.00 0.00 61.00 62.01 2ppb s PRO 866 Cb -0.33 -2.81 -0.04 0.00 0.05 0.00 0.00 34.50 31.36 2ppb s PRO 866 CO 0.36 0.43 1.08 0.14 0.05 0.00 0.00 177.00 179.05 2ppb s VAL 867 N -1.64 3.57 -0.24 -0.36 -7.23 -1.06 -4.98 120.40 108.46 2ppb s VAL 867 Ca 0.41 0.83 0.00 0.00 -1.81 0.00 0.00 61.98 61.42 2ppb s VAL 867 Cb -0.12 -3.32 -0.19 0.00 0.56 0.00 0.00 36.38 33.31 2ppb s VAL 867 CO 0.21 -0.36 -0.13 0.47 -0.31 0.00 0.00 175.10 174.99 2ppb n ASP 868 N -1.76 2.01 -4.15 4.85 9.92 -0.33 -4.76 116.55 122.33 2ppb n ASP 868 Ca 0.10 -0.08 -0.20 0.00 -0.53 0.00 0.00 54.79 54.08 2ppb n ASP 868 Cb 0.52 -0.49 -0.13 0.00 -0.64 0.00 0.00 41.12 40.38 2ppb n ASP 868 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2ppb s VAL 869 N -2.53 1.13 -0.28 2.53 0.11 -1.15 0.26 120.40 120.48 2ppb s VAL 869 Ca -0.33 -0.99 0.01 0.00 -2.93 0.00 0.00 61.98 57.74 2ppb s VAL 869 Cb 0.09 -1.02 0.05 0.00 -1.53 0.00 0.00 36.38 33.97 2ppb s VAL 869 CO 0.63 0.02 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.73 2ppb s ILE 870 N -0.83 2.55 -0.07 7.04 1.01 -0.56 -2.10 121.20 128.24 2ppb s ILE 870 Ca 0.02 -1.51 -0.12 0.00 0.00 0.00 0.00 60.65 59.04 2ppb s ILE 870 Cb -0.08 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 2ppb s ILE 870 CO 0.01 -0.06 0.29 -0.76 0.00 0.00 0.00 174.94 174.42 2ppb s LEU 871 N 1.17 4.41 -0.01 2.97 1.43 -0.91 -3.61 118.68 124.13 2ppb s LEU 871 Ca -0.07 0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 53.43 2ppb s LEU 871 Cb -0.20 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 2ppb s LEU 871 CO -0.03 0.33 1.39 0.21 0.23 0.00 0.00 176.35 178.48 2ppb s ASN 872 N -0.83 6.86 0.24 2.29 2.47 -1.25 -2.03 114.94 122.69 2ppb s ASN 872 Ca 0.19 2.09 -0.05 0.00 0.42 0.00 0.00 52.86 55.51 2ppb s ASN 872 Cb -0.14 -2.56 0.26 0.00 -1.45 0.00 0.00 41.25 37.36 2ppb s ASN 872 CO 0.08 -0.72 1.79 -0.65 -3.72 0.00 0.00 177.10 173.88 2ppb h PRO 873 N 7.88 1.03 -0.74 0.43 0.11 -1.79 -3.17 132.00 135.75 2ppb h PRO 873 Ca -0.37 -0.21 0.20 0.00 0.11 0.00 0.00 66.00 65.73 2ppb h PRO 873 Cb 1.17 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 2ppb h PRO 873 CO 0.91 0.88 0.52 -0.07 -0.21 0.00 0.00 178.00 180.02 2ppb h LEU 874 N 1.00 0.12 0.00 2.35 3.38 -1.93 -1.03 115.31 119.20 2ppb h LEU 874 Ca 0.22 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2ppb h LEU 874 Cb 0.27 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2ppb h LEU 874 CO -0.01 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2ppb n GLY 875 N -1.63 -0.76 0.11 0.83 0.00 -1.20 -3.63 105.19 98.92 2ppb n GLY 875 Ca 0.15 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 2ppb n GLY 875 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ppb n VAL 876 N -0.78 1.19 0.47 1.61 0.31 -0.39 -4.26 118.33 116.47 2ppb n VAL 876 Ca 0.10 -0.45 -0.19 0.00 -0.01 0.00 0.00 64.34 63.79 2ppb n VAL 876 Cb 0.05 -1.26 -0.09 0.00 -0.91 0.00 0.00 33.84 31.63 2ppb n VAL 876 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2ppb h PRO 877 N -0.03 -1.15 -0.03 5.55 0.13 -1.69 -3.33 132.00 131.46 2ppb h PRO 877 Ca -0.47 0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2ppb h PRO 877 Cb 1.71 0.26 -0.01 0.00 0.13 0.00 0.00 31.00 33.09 2ppb h PRO 877 CO -0.08 -0.76 -0.05 0.66 -0.23 0.00 0.00 178.00 177.53 2ppb h SER 878 N -1.25 -0.17 -4.23 1.44 4.64 -1.84 -3.39 113.55 108.74 2ppb h SER 878 Ca -0.12 0.02 -0.53 0.00 -0.47 0.00 0.00 61.79 60.69 2ppb h SER 878 Cb 0.92 0.07 0.17 0.00 -0.31 0.00 0.00 62.40 63.25 2ppb h SER 878 CO 0.20 -0.04 0.31 -0.13 -0.87 0.00 0.00 176.83 176.30 2ppb s ARG 879 N -3.25 1.66 -0.35 4.77 3.00 -1.25 -4.96 118.95 118.56 2ppb s ARG 879 Ca -0.01 1.62 0.03 0.00 0.00 0.00 0.00 55.73 57.36 2ppb s ARG 879 Cb 0.01 -1.79 0.10 0.00 0.00 0.00 0.00 34.95 33.27 2ppb s ARG 879 CO 0.06 -2.17 0.08 -1.64 0.00 0.00 0.00 175.30 171.63 2ppb s MET 880 N -4.33 1.36 -0.46 3.54 -1.94 -1.26 -4.74 119.30 111.47 2ppb s MET 880 Ca 0.70 -1.78 0.06 0.00 -1.71 0.00 0.00 55.69 52.95 2ppb s MET 880 Cb -0.25 -2.96 0.18 0.00 2.01 0.00 0.00 34.83 33.80 2ppb s MET 880 CO 0.52 -0.97 0.56 0.54 -0.01 0.00 0.00 175.02 175.66 2ppb s ASN 881 N 0.94 -0.26 0.42 3.03 6.03 -1.26 0.68 114.94 124.51 2ppb s ASN 881 Ca 0.11 -2.05 0.29 0.00 -1.03 0.00 0.00 52.86 50.19 2ppb s ASN 881 Cb -0.19 1.03 1.14 0.00 -3.03 0.00 0.00 41.25 40.20 2ppb s ASN 881 CO -0.11 -0.12 1.85 -0.07 -2.03 0.00 0.00 177.10 176.62 2ppb h LEU 882 N 5.61 0.00 -1.45 3.54 3.38 -1.75 -3.11 115.31 121.53 2ppb h LEU 882 Ca 0.12 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.39 2ppb h LEU 882 Cb 1.05 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.71 2ppb h LEU 882 CO 0.15 0.00 0.71 1.23 0.09 0.00 0.00 178.44 180.62 2ppb h GLY 883 N 2.37 1.07 1.02 0.83 0.00 -1.81 0.39 103.07 106.94 2ppb h GLY 883 Ca 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 2ppb h GLY 883 CO 0.00 -0.15 -0.11 1.46 0.00 0.00 0.00 176.54 177.74 2ppb h GLN 884 N 0.30 0.86 0.00 4.80 4.20 -1.89 -0.86 115.11 122.52 2ppb h GLN 884 Ca 0.62 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.97 2ppb h GLN 884 Cb 1.74 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.47 2ppb h GLN 884 CO -0.28 0.97 -0.14 0.82 -0.67 0.00 0.00 178.83 179.53 2ppb h ILE 885 N 0.70 0.34 0.14 2.54 1.08 -0.54 -2.34 117.51 119.42 2ppb h ILE 885 Ca 0.11 -0.91 -0.28 0.00 -0.39 0.00 0.00 64.86 63.39 2ppb h ILE 885 Cb 0.65 1.70 0.01 0.00 -3.07 0.00 0.00 36.82 36.11 2ppb h ILE 885 CO 0.04 0.13 -1.25 0.25 -0.69 0.00 0.00 178.15 176.64 2ppb h LEU 886 N 0.00 0.57 -0.62 1.44 5.85 -0.57 -3.18 115.31 118.80 2ppb h LEU 886 Ca -0.00 -0.58 -0.07 0.00 0.84 0.00 0.00 57.88 58.07 2ppb h LEU 886 Cb 0.69 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2ppb h LEU 886 CO 0.02 1.44 0.11 -0.08 -0.34 0.00 0.00 178.44 179.58 2ppb h GLU 887 N 0.13 1.03 -0.86 1.25 4.81 -0.93 -2.30 114.58 117.71 2ppb h GLU 887 Ca -0.16 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 58.83 2ppb h GLU 887 Cb 1.95 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 31.16 2ppb h GLU 887 CO 0.22 0.95 0.55 1.15 -0.73 0.00 0.00 179.01 181.15 2ppb h THR 888 N 0.94 1.14 0.04 0.32 2.02 -1.50 0.67 112.91 116.54 2ppb h THR 888 Ca 0.19 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 2ppb h THR 888 Cb 0.42 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 2ppb h THR 888 CO 0.01 0.20 -0.02 0.45 0.37 0.00 0.00 175.52 176.53 2ppb h HIS 889 N 1.08 -0.04 -1.00 3.16 3.86 -1.50 0.23 115.15 120.92 2ppb h HIS 889 Ca 0.34 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.62 2ppb h HIS 889 Cb -0.00 0.01 -0.07 0.00 1.06 0.00 0.00 27.41 28.41 2ppb h HIS 889 CO -0.02 0.39 0.65 1.25 0.86 0.00 0.00 177.93 181.06 2ppb h LEU 890 N -0.50 1.02 -0.84 2.43 6.46 -1.17 -0.57 115.31 122.15 2ppb h LEU 890 Ca -0.00 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.80 2ppb h LEU 890 Cb 0.46 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.14 2ppb h LEU 890 CO 0.01 0.64 0.54 1.23 -0.62 0.00 0.00 178.44 180.24 2ppb h GLY 891 N 1.15 1.21 0.39 3.75 0.00 0.63 -2.31 103.07 107.90 2ppb h GLY 891 Ca 0.44 -0.42 0.05 0.00 0.00 0.00 0.00 47.33 47.41 2ppb h GLY 891 CO -0.19 0.37 -0.13 -2.00 0.00 0.00 0.00 176.54 174.60 2ppb h LEU 892 N 1.07 -0.42 -0.15 3.11 5.85 0.11 -2.02 115.31 122.86 2ppb h LEU 892 Ca 0.33 0.10 0.02 0.00 0.84 0.00 0.00 57.88 59.16 2ppb h LEU 892 Cb -0.03 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2ppb h LEU 892 CO -0.10 -0.16 0.02 0.00 -0.34 0.00 0.00 178.44 177.86 2ppb h ALA 893 N 1.06 0.14 -0.28 1.25 0.00 -1.12 -2.18 119.26 118.12 2ppb h ALA 893 Ca 0.12 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2ppb h ALA 893 Cb 0.30 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2ppb h ALA 893 CO -0.29 -0.42 0.27 0.78 0.00 0.00 0.00 179.25 179.58 2ppb h GLY 894 N 0.08 0.00 0.60 0.00 0.00 -0.99 0.18 103.07 102.95 2ppb h GLY 894 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 2ppb h GLY 894 CO -0.09 0.00 -0.29 -1.82 0.00 0.00 0.00 176.54 174.34 2ppb h TYR 895 N 0.00 -0.75 0.00 5.60 3.20 -0.70 0.17 116.97 124.49 2ppb h TYR 895 Ca 0.13 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2ppb h TYR 895 Cb 0.66 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.18 2ppb h TYR 895 CO 0.00 -0.46 0.00 0.74 -1.64 0.00 0.00 178.16 176.80 2ppb h PHE 896 N -1.01 0.00 0.00 -3.82 -1.00 -1.49 -2.77 116.94 106.84 2ppb h PHE 896 Ca -0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.70 2ppb h PHE 896 Cb 0.62 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.18 2ppb h PHE 896 CO 0.03 0.00 -0.81 1.28 -1.61 0.00 0.00 178.31 177.21 2ppb n LEU 897 N -2.84 0.66 -3.43 1.54 4.32 0.61 -4.83 117.00 113.03 2ppb n LEU 897 Ca 0.03 -0.11 -0.22 0.00 -0.02 0.00 0.00 56.01 55.69 2ppb n LEU 897 Cb 0.39 -0.14 0.06 0.00 -1.62 0.00 0.00 43.42 42.12 2ppb n LEU 897 CO 0.29 0.12 -0.01 0.61 -1.22 0.00 0.00 177.39 177.18 2ppb n GLY 898 N 1.45 -1.10 3.50 -0.72 0.00 0.57 -5.00 105.19 103.89 2ppb n GLY 898 Ca 0.04 0.53 -0.17 0.00 0.00 0.00 0.00 46.02 46.42 2ppb n GLY 898 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ppb s GLN 899 N -5.04 1.10 0.30 1.61 -2.07 -0.93 -4.40 119.66 110.23 2ppb s GLN 899 Ca 0.46 0.10 0.06 0.00 -1.82 0.00 0.00 55.36 54.17 2ppb s GLN 899 Cb -0.11 0.52 -0.02 0.00 -1.09 0.00 0.00 33.01 32.31 2ppb s GLN 899 CO 0.79 -0.38 0.37 1.03 -1.32 0.00 0.00 175.29 175.79 2ppb s ARG 900 N -1.73 3.12 0.35 9.60 1.81 -1.14 -4.47 118.95 126.49 2ppb s ARG 900 Ca -0.08 -1.00 0.04 0.00 -1.72 0.00 0.00 55.73 52.97 2ppb s ARG 900 Cb -0.00 -2.75 -0.03 0.00 -0.45 0.00 0.00 34.95 31.72 2ppb s ARG 900 CO 0.05 0.22 0.17 0.71 -0.68 0.00 0.00 175.30 175.77 2ppb s TYR 901 N -2.14 1.72 -0.34 -0.53 1.51 -0.05 -3.33 117.35 114.19 2ppb s TYR 901 Ca 0.40 -1.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.08 2ppb s TYR 901 Cb -0.08 -0.96 0.14 0.00 -0.11 0.00 0.00 41.96 40.95 2ppb s TYR 901 CO 0.29 -0.49 0.29 0.42 -1.11 0.00 0.00 175.55 174.95 2ppb s ILE 902 N -3.40 -0.21 -0.38 2.71 1.01 -1.22 0.97 121.20 120.68 2ppb s ILE 902 Ca 0.32 -1.02 -0.16 0.00 0.00 0.00 0.00 60.65 59.79 2ppb s ILE 902 Cb 0.03 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.63 2ppb s ILE 902 CO 0.18 -0.67 0.40 -0.55 0.00 0.00 0.00 174.94 174.30 2ppb s SER 903 N 1.63 6.19 1.17 3.58 0.15 0.46 -3.70 113.70 123.18 2ppb s SER 903 Ca 0.15 -0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.20 2ppb s SER 903 Cb -0.17 -2.21 0.21 0.00 -1.71 0.00 0.00 66.02 62.15 2ppb s SER 903 CO -0.13 -0.45 0.54 -2.65 1.20 0.00 0.00 173.24 171.75 2ppb n PRO 904 N 5.48 -2.19 0.06 5.44 -0.02 -1.23 -4.26 135.00 138.27 2ppb n PRO 904 Ca -0.08 -0.62 -0.05 0.00 -2.02 0.00 0.00 63.50 60.73 2ppb n PRO 904 Cb 0.48 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 2ppb n PRO 904 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2ppb h ILE 905 N -2.45 0.00 -0.00 4.25 5.03 -1.84 -2.70 117.51 119.79 2ppb h ILE 905 Ca -0.59 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.15 2ppb h ILE 905 Cb 1.35 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.14 2ppb h ILE 905 CO 0.45 0.00 -0.23 0.49 -0.68 0.00 0.00 178.15 178.17 2ppb n PHE 906 N -3.33 0.00 0.64 1.37 3.01 -1.26 -3.53 117.46 114.37 2ppb n PHE 906 Ca -0.03 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.50 2ppb n PHE 906 Cb 0.13 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.62 2ppb n PHE 906 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2ppb n ASP 907 N -1.08 1.77 0.00 4.37 2.03 -1.26 -5.00 116.55 117.37 2ppb n ASP 907 Ca 0.01 -1.38 0.00 0.00 0.52 0.00 0.00 54.79 53.94 2ppb n ASP 907 Cb 0.08 0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 2ppb n ASP 907 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ppb n GLY 908 N 1.01 -1.20 3.83 0.27 0.00 -1.02 -3.97 105.19 104.10 2ppb n GLY 908 Ca 0.07 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2ppb n GLY 908 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppb s ALA 909 N -2.67 3.00 0.24 4.61 0.00 -1.26 -3.88 121.76 121.80 2ppb s ALA 909 Ca 0.00 0.27 0.11 0.00 0.00 0.00 0.00 51.96 52.35 2ppb s ALA 909 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2ppb s ALA 909 CO 0.00 -0.27 -0.20 0.21 0.00 0.00 0.00 175.76 175.50 2ppb s LYS 910 N -3.88 1.68 0.28 0.00 2.47 -1.26 -5.03 119.74 114.01 2ppb s LYS 910 Ca 0.61 -1.64 0.03 0.00 -1.56 0.00 0.00 55.97 53.40 2ppb s LYS 910 Cb -0.11 -1.84 0.66 0.00 -1.46 0.00 0.00 37.83 35.07 2ppb s LYS 910 CO 0.29 0.36 1.76 1.49 0.16 0.00 0.00 175.35 179.40 2ppb h GLU 911 N 2.60 0.62 0.02 4.03 4.57 -1.99 -1.15 114.58 123.28 2ppb h GLU 911 Ca -0.43 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2ppb h GLU 911 Cb 1.24 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2ppb h GLU 911 CO 0.56 0.41 -0.01 -1.35 -1.18 0.00 0.00 179.01 177.44 2ppb h PRO 912 N 0.64 -0.03 -1.00 0.92 0.11 -1.99 -1.91 132.00 128.74 2ppb h PRO 912 Ca 0.53 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.73 2ppb h PRO 912 Cb 0.83 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.88 2ppb h PRO 912 CO -0.40 0.17 0.64 0.93 -0.21 0.00 0.00 178.00 179.13 2ppb h GLU 913 N -0.22 1.08 -0.18 1.05 5.08 -1.76 0.82 114.58 120.44 2ppb h GLU 913 Ca -0.00 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 2ppb h GLU 913 Cb 0.21 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2ppb h GLU 913 CO 0.00 0.71 -0.41 0.82 -1.00 0.00 0.00 179.01 179.13 2ppb h ILE 914 N 1.11 1.31 -0.21 3.13 5.03 -1.19 -1.85 117.51 124.84 2ppb h ILE 914 Ca 0.45 -1.57 -0.01 0.00 -0.12 0.00 0.00 64.86 63.61 2ppb h ILE 914 Cb 0.28 1.62 -0.01 0.00 -3.03 0.00 0.00 36.82 35.68 2ppb h ILE 914 CO -0.20 0.48 0.06 0.11 -0.68 0.00 0.00 178.15 177.92 2ppb h LYS 915 N 0.35 0.29 0.71 2.37 1.79 -0.06 -0.93 116.57 121.10 2ppb h LYS 915 Ca 0.03 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 2ppb h LYS 915 Cb 0.88 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.48 2ppb h LYS 915 CO 0.07 0.27 -0.34 1.49 -1.08 0.00 0.00 179.45 179.86 2ppb h GLU 916 N 0.30 -0.91 -0.82 3.15 4.57 -0.55 -1.65 114.58 118.68 2ppb h GLU 916 Ca 0.07 0.06 0.12 0.00 -1.18 0.00 0.00 59.36 58.44 2ppb h GLU 916 Cb 0.10 0.21 -0.08 0.00 -0.16 0.00 0.00 28.75 28.81 2ppb h GLU 916 CO -0.01 -0.61 0.43 -0.07 -1.18 0.00 0.00 179.01 177.58 2ppb h LEU 917 N -1.19 0.56 -1.03 1.64 3.38 -1.18 0.13 115.31 117.62 2ppb h LEU 917 Ca -0.10 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2ppb h LEU 917 Cb 0.73 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 2ppb h LEU 917 CO 0.16 0.28 0.64 0.25 0.09 0.00 0.00 178.44 179.86 2ppb h LEU 918 N 0.67 1.02 -1.25 1.67 5.85 -1.16 0.25 115.31 122.36 2ppb h LEU 918 Ca 0.42 0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.18 2ppb h LEU 918 Cb 0.52 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 2ppb h LEU 918 CO -0.31 0.64 0.51 0.00 -0.34 0.00 0.00 178.44 178.94 2ppb h ALA 919 N 1.47 1.49 -0.02 1.25 0.00 0.23 0.30 119.26 123.99 2ppb h ALA 919 Ca 0.44 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 2ppb h ALA 919 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2ppb h ALA 919 CO -0.18 0.46 -0.47 1.96 0.00 0.00 0.00 179.25 181.02 2ppb h GLN 920 N 1.01 0.04 -0.14 0.00 4.20 0.25 -2.78 115.11 117.68 2ppb h GLN 920 Ca 0.30 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.83 2ppb h GLN 920 Cb -0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2ppb h GLN 920 CO -0.07 0.50 -0.59 0.00 -0.67 0.00 0.00 178.83 177.99 2ppb h ALA 921 N 1.50 0.71 -0.15 3.87 0.00 0.88 -3.12 119.26 122.95 2ppb h ALA 921 Ca -0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2ppb h ALA 921 Cb 0.85 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2ppb h ALA 921 CO 0.06 0.71 0.09 0.35 0.00 0.00 0.00 179.25 180.46 2ppb h PHE 922 N 0.34 0.19 0.02 0.00 3.57 -0.72 -0.14 116.94 120.20 2ppb h PHE 922 Ca -0.00 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.28 2ppb h PHE 922 Cb 1.13 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 2ppb h PHE 922 CO 0.04 0.13 -0.95 1.49 -2.23 0.00 0.00 178.31 176.79 2ppb h GLU 923 N 0.21 0.29 -0.54 1.11 4.57 -1.60 0.33 114.58 118.96 2ppb h GLU 923 Ca 0.06 -0.33 -0.11 0.00 -1.18 0.00 0.00 59.36 57.80 2ppb h GLU 923 Cb -0.01 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2ppb h GLU 923 CO -0.01 1.05 -0.09 0.28 -1.18 0.00 0.00 179.01 179.06 2ppb h VAL 924 N 0.15 1.27 0.30 0.32 2.07 -1.23 0.47 116.25 119.59 2ppb h VAL 924 Ca -0.07 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 2ppb h VAL 924 Cb 1.60 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2ppb h VAL 924 CO 0.15 0.43 -0.14 0.22 0.02 0.00 0.00 177.57 178.26 2ppb h TYR 925 N 0.89 -0.37 0.00 1.57 5.03 -1.04 -3.32 116.97 119.73 2ppb h TYR 925 Ca 0.14 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.37 2ppb h TYR 925 Cb 0.64 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 39.03 2ppb h TYR 925 CO 0.04 -0.23 -1.18 0.34 -1.32 0.00 0.00 178.16 175.81 2ppb n PHE 926 N -4.62 0.98 0.31 -3.82 7.35 0.12 -3.78 117.46 113.99 2ppb n PHE 926 Ca -0.05 0.30 -0.17 0.00 -0.76 0.00 0.00 57.45 56.78 2ppb n PHE 926 Cb 0.16 -1.02 -0.09 0.00 0.35 0.00 0.00 39.48 38.89 2ppb n PHE 926 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 2ppb h GLY 927 N 3.88 -0.78 1.25 7.13 0.00 -0.00 -1.33 103.07 113.22 2ppb h GLY 927 Ca -0.07 0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.61 2ppb h GLY 927 CO 0.02 -0.28 0.37 1.70 0.00 0.00 0.00 176.54 178.35 2ppb h LYS 928 N -0.80 0.54 -0.84 4.80 3.64 -1.65 -1.46 116.57 120.80 2ppb h LYS 928 Ca -0.08 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 2ppb h LYS 928 Cb 0.60 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 2ppb h LYS 928 CO 0.13 0.36 0.44 0.00 -2.27 0.00 0.00 179.45 178.10 2ppb h ARG 929 N 0.55 1.18 -0.14 1.90 2.47 -1.59 0.70 114.38 119.45 2ppb h ARG 929 Ca 0.24 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 2ppb h ARG 929 Cb 0.24 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2ppb h ARG 929 CO -0.07 0.88 0.06 0.87 0.56 0.00 0.00 179.97 182.27 2ppb h LYS 930 N 1.18 0.21 0.02 0.04 1.57 -0.16 -2.90 116.57 116.53 2ppb h LYS 930 Ca 0.29 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.77 2ppb h LYS 930 Cb 0.06 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.35 2ppb h LYS 930 CO -0.04 0.29 -1.05 0.78 -0.57 0.00 0.00 179.45 178.86 2ppb h GLY 931 N 0.08 0.70 1.70 3.86 0.00 -1.28 -3.20 103.07 104.93 2ppb h GLY 931 Ca 0.05 -1.26 0.00 0.00 0.00 0.00 0.00 47.33 46.12 2ppb h GLY 931 CO -0.00 1.11 0.12 0.83 0.00 0.00 0.00 176.54 178.60 2ppb h GLU 932 N 0.34 0.00 0.00 4.80 5.08 0.38 -3.45 114.58 121.73 2ppb h GLU 932 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2ppb h GLU 932 Cb 1.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.96 2ppb h GLU 932 CO 0.20 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.62 2ppb n GLY 933 N -1.27 1.01 3.06 -3.84 0.00 -1.21 -5.07 105.19 97.87 2ppb n GLY 933 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2ppb n GLY 933 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ppb s PHE 934 N -1.62 0.51 0.00 1.61 0.40 -1.10 -5.06 117.98 112.72 2ppb s PHE 934 Ca 0.00 -0.76 0.00 0.00 -0.60 0.00 0.00 56.93 55.57 2ppb s PHE 934 Cb 0.00 -0.34 0.00 0.00 0.51 0.00 0.00 43.02 43.19 2ppb s PHE 934 CO 0.00 -0.23 0.00 0.41 0.70 0.00 0.00 175.22 176.10 2ppb n GLY 935 N 0.84 0.53 3.88 4.36 0.00 -1.26 -4.11 105.19 109.42 2ppb n GLY 935 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2ppb n GLY 935 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ppb s VAL 936 N 2.82 5.10 0.60 1.61 -7.23 -1.26 -5.01 120.40 117.04 2ppb s VAL 936 Ca 0.00 -0.56 -0.06 0.00 -1.81 0.00 0.00 61.98 59.55 2ppb s VAL 936 Cb 0.00 -3.50 0.01 0.00 0.56 0.00 0.00 36.38 33.45 2ppb s VAL 936 CO 0.00 0.10 0.92 -1.81 -0.31 0.00 0.00 175.10 173.99 2ppb s ASP 937 N -2.59 5.55 0.38 4.85 1.11 -1.26 -4.96 116.67 119.76 2ppb s ASP 937 Ca 0.33 0.73 0.15 0.00 0.18 0.00 0.00 52.55 53.94 2ppb s ASP 937 Cb -0.12 -1.69 0.78 0.00 1.07 0.00 0.00 42.92 42.96 2ppb s ASP 937 CO 0.26 -1.10 1.83 0.50 1.18 0.00 0.00 175.17 177.84 2ppb h LYS 938 N -0.22 0.00 0.42 8.23 1.63 -2.00 -1.50 116.57 123.13 2ppb h LYS 938 Ca -0.45 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.33 2ppb h LYS 938 Cb 1.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2ppb h LYS 938 CO 0.61 0.35 -0.20 0.00 -3.45 0.00 0.00 179.45 176.76 2ppb h ARG 939 N 0.00 -0.55 -0.04 1.90 2.47 -1.98 -0.75 114.38 115.43 2ppb h ARG 939 Ca -0.00 0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.77 2ppb h ARG 939 Cb 0.67 0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 29.12 2ppb h ARG 939 CO 0.05 -0.24 0.04 0.93 0.56 0.00 0.00 179.97 181.30 2ppb h GLU 940 N -0.90 0.00 0.20 0.04 5.08 -1.90 -1.77 114.58 115.33 2ppb h GLU 940 Ca -0.06 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.98 2ppb h GLU 940 Cb 0.56 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.83 2ppb h GLU 940 CO 0.10 0.00 -1.48 0.28 -1.00 0.00 0.00 179.01 176.91 2ppb h VAL 941 N 0.00 1.26 -0.31 3.13 2.07 -1.19 -3.18 116.25 118.03 2ppb h VAL 941 Ca 0.02 -2.77 -0.08 0.00 0.82 0.00 0.00 66.70 64.70 2ppb h VAL 941 Cb 0.09 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 2ppb h VAL 941 CO -0.00 0.84 -0.10 -0.08 0.02 0.00 0.00 177.57 178.24 2ppb h GLU 942 N 0.12 0.62 -0.21 1.57 4.81 -0.52 -2.00 114.58 118.97 2ppb h GLU 942 Ca -0.24 -0.25 0.04 0.00 -0.13 0.00 0.00 59.36 58.77 2ppb h GLU 942 Cb 2.10 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.44 2ppb h GLU 942 CO 0.23 0.82 0.14 -0.24 -0.73 0.00 0.00 179.01 179.24 2ppb h VAL 943 N 0.39 0.95 -0.49 0.32 3.04 -1.48 -1.23 116.25 117.74 2ppb h VAL 943 Ca 0.08 -0.04 -0.06 0.00 -1.01 0.00 0.00 66.70 65.66 2ppb h VAL 943 Cb 0.61 0.84 -0.02 0.00 -2.01 0.00 0.00 31.29 30.71 2ppb h VAL 943 CO 0.04 0.02 0.06 -0.07 -1.01 0.00 0.00 177.57 176.61 2ppb h LEU 944 N 0.11 0.80 0.53 3.16 3.38 -1.37 0.27 115.31 122.19 2ppb h LEU 944 Ca 0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2ppb h LEU 944 Cb 0.23 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2ppb h LEU 944 CO -0.01 0.87 -0.30 -0.09 0.09 0.00 0.00 178.44 179.00 2ppb h ARG 945 N 0.70 -0.76 0.00 1.13 2.43 -0.56 0.32 114.38 117.65 2ppb h ARG 945 Ca 0.15 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2ppb h ARG 945 Cb 0.43 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2ppb h ARG 945 CO 0.01 -0.50 -0.00 0.00 -1.51 0.00 0.00 179.97 177.97 2ppb h ARG 946 N -0.79 0.00 0.09 0.20 2.47 -1.33 -0.13 114.38 114.89 2ppb h ARG 946 Ca -0.07 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.42 2ppb h ARG 946 Cb 0.63 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.97 2ppb h ARG 946 CO 0.08 0.00 -0.97 0.00 0.56 0.00 0.00 179.97 179.64 2ppb h ALA 947 N 2.00 0.00 -0.03 0.04 0.00 0.66 -2.81 119.26 119.11 2ppb h ALA 947 Ca -0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 54.91 54.03 2ppb h ALA 947 Cb 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ppb h ALA 947 CO 0.00 0.53 -0.76 1.05 0.00 0.00 0.00 179.25 180.07 2ppb h GLU 948 N 0.04 0.24 0.00 0.00 -0.00 0.17 -0.10 114.58 114.93 2ppb h GLU 948 Ca -0.15 -0.22 -0.01 0.00 -0.00 0.00 0.00 59.36 58.99 2ppb h GLU 948 Cb 1.69 0.05 -0.00 0.00 -0.00 0.00 0.00 28.75 30.49 2ppb h GLU 948 CO 0.19 0.89 -0.05 0.87 -0.00 0.00 0.00 179.01 180.91 2ppb h LYS 949 N 0.16 0.00 0.03 1.06 1.57 -1.12 -2.88 116.57 115.39 2ppb h LYS 949 Ca -0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2ppb h LYS 949 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2ppb h LYS 949 CO 0.12 0.05 -0.02 1.25 -0.57 0.00 0.00 179.45 180.28 2ppb h LEU 950 N 0.00 -0.04 0.00 2.94 7.12 -1.14 -3.49 115.31 120.70 2ppb h LEU 950 Ca -0.00 -0.24 0.00 0.00 0.13 0.00 0.00 57.88 57.77 2ppb h LEU 950 Cb 0.19 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2ppb h LEU 950 CO 0.01 0.57 0.00 0.61 -0.13 0.00 0.00 178.44 179.50 2ppb n GLY 951 N 1.60 1.65 0.03 3.75 0.00 -0.10 -5.03 105.19 107.08 2ppb n GLY 951 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2ppb n GLY 951 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ppb n LEU 952 N 0.00 0.03 -3.93 0.99 7.99 -0.95 -4.95 117.00 116.19 2ppb n LEU 952 Ca 0.00 0.01 -0.18 0.00 -0.01 0.00 0.00 56.01 55.84 2ppb n LEU 952 Cb 0.00 0.08 -0.15 0.00 -0.11 0.00 0.00 43.42 43.24 2ppb n LEU 952 CO 0.00 0.08 -0.40 0.68 -1.51 0.00 0.00 177.39 176.24 2ppb s VAL 953 N -3.33 0.46 0.09 4.08 -7.23 -1.26 -4.61 120.40 108.60 2ppb s VAL 953 Ca -0.08 -0.17 -0.31 0.00 -1.81 0.00 0.00 61.98 59.61 2ppb s VAL 953 Cb 0.12 -0.44 -0.10 0.00 0.56 0.00 0.00 36.38 36.52 2ppb s VAL 953 CO 0.89 0.17 1.86 0.42 -0.31 0.00 0.00 175.10 178.13 2ppb s THR 954 N 0.37 2.72 0.26 5.32 -4.23 -1.26 -4.62 115.64 114.20 2ppb s THR 954 Ca -0.04 0.07 -0.30 0.00 -1.18 0.00 0.00 61.69 60.24 2ppb s THR 954 Cb -0.08 -3.04 -0.10 0.00 1.34 0.00 0.00 72.50 70.61 2ppb s THR 954 CO -0.00 -0.00 1.42 -2.84 -0.54 0.00 0.00 174.62 172.66 2ppb s PRO 955 N 3.27 4.28 0.00 3.99 0.02 -1.26 -3.61 135.00 141.70 2ppb s PRO 955 Ca 0.83 2.29 0.00 0.00 0.02 0.00 0.00 61.00 64.14 2ppb s PRO 955 Cb -0.45 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 30.97 2ppb s PRO 955 CO 0.38 -0.39 0.00 0.41 -0.33 0.00 0.00 177.00 177.06 2ppb n GLY 956 N 2.03 0.95 3.93 0.52 0.00 -1.26 -5.11 105.19 106.25 2ppb n GLY 956 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 2ppb n GLY 956 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppb s LYS 957 N -0.44 3.45 0.52 1.61 1.02 -1.24 -5.07 119.74 119.60 2ppb s LYS 957 Ca 0.00 -0.50 -0.23 0.00 0.02 0.00 0.00 55.97 55.26 2ppb s LYS 957 Cb 0.00 -2.97 -0.06 0.00 -0.52 0.00 0.00 37.83 34.28 2ppb s LYS 957 CO 0.00 0.53 1.38 -2.37 -0.92 0.00 0.00 175.35 173.97 2ppb n THR 958 N -0.29 3.51 -0.30 2.17 5.66 -1.26 -4.62 114.28 119.15 2ppb n THR 958 Ca -0.06 -0.50 0.20 0.00 -3.05 0.00 0.00 64.05 60.64 2ppb n THR 958 Cb 0.53 -1.71 0.48 0.00 -1.55 0.00 0.00 70.33 68.08 2ppb n THR 958 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 2ppb h PRO 959 N 1.69 0.44 -0.47 1.09 0.11 -1.97 0.64 132.00 133.53 2ppb h PRO 959 Ca -0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2ppb h PRO 959 Cb 1.29 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2ppb h PRO 959 CO 0.58 0.29 0.26 1.49 -0.21 0.00 0.00 178.00 180.41 2ppb h GLU 960 N 0.46 0.65 -0.07 1.05 4.81 -2.00 0.12 114.58 119.60 2ppb h GLU 960 Ca 0.55 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 59.55 2ppb h GLU 960 Cb 1.31 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2ppb h GLU 960 CO -0.27 0.51 -0.66 0.93 -0.73 0.00 0.00 179.01 178.79 2ppb h GLU 961 N 0.61 0.29 -0.10 1.92 4.39 -1.12 -3.16 114.58 117.42 2ppb h GLU 961 Ca 0.16 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 2ppb h GLU 961 Cb 0.05 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2ppb h GLU 961 CO -0.03 0.85 -0.34 1.96 -1.16 0.00 0.00 179.01 180.30 2ppb h GLN 962 N 0.21 0.41 -0.65 2.33 4.20 0.46 -2.70 115.11 119.35 2ppb h GLN 962 Ca -0.02 -0.30 0.05 0.00 0.06 0.00 0.00 58.65 58.44 2ppb h GLN 962 Cb 1.20 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.00 2ppb h GLN 962 CO 0.11 0.93 0.43 1.25 -0.67 0.00 0.00 178.83 180.88 2ppb h LEU 963 N -0.04 0.61 0.30 1.46 6.46 -0.85 0.28 115.31 123.54 2ppb h LEU 963 Ca -0.01 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 2ppb h LEU 963 Cb 0.97 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.77 2ppb h LEU 963 CO 0.07 0.41 -0.14 0.50 -0.62 0.00 0.00 178.44 178.66 2ppb h LYS 964 N 0.71 -0.39 -0.70 1.25 3.64 -1.51 0.54 116.57 120.11 2ppb h LYS 964 Ca 0.27 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.80 2ppb h LYS 964 Cb 0.19 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.02 2ppb h LYS 964 CO -0.08 -0.19 0.28 1.49 -2.27 0.00 0.00 179.45 178.68 2ppb h GLU 965 N -0.51 0.44 -0.42 1.90 4.57 -1.05 0.18 114.58 119.69 2ppb h GLU 965 Ca -0.04 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.00 2ppb h GLU 965 Cb 0.38 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 2ppb h GLU 965 CO 0.07 0.29 -0.19 1.25 -1.18 0.00 0.00 179.01 179.25 2ppb h LEU 966 N 0.45 0.82 -0.62 1.64 5.85 -0.71 -2.76 115.31 119.98 2ppb h LEU 966 Ca 0.37 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2ppb h LEU 966 Cb 0.51 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2ppb h LEU 966 CO -0.36 1.00 0.01 0.15 -0.34 0.00 0.00 178.44 178.90 2ppb h PHE 967 N 0.72 1.19 0.00 1.25 3.57 0.12 -1.96 116.94 121.82 2ppb h PHE 967 Ca 0.10 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 2ppb h PHE 967 Cb 0.70 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 2ppb h PHE 967 CO 0.04 1.03 -0.06 -0.07 -2.23 0.00 0.00 178.31 177.03 2ppb h LEU 968 N 1.00 0.00 0.00 0.59 3.38 -0.55 0.74 115.31 120.47 2ppb h LEU 968 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2ppb h LEU 968 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2ppb h LEU 968 CO 0.03 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.62 2ppb n GLN 969 N -3.66 0.46 -0.21 1.13 6.02 -0.74 -4.86 117.38 115.52 2ppb n GLN 969 Ca -0.02 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2ppb n GLN 969 Cb 0.16 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.92 2ppb n GLN 969 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ppb n GLY 970 N 0.59 1.09 3.32 1.08 0.00 0.25 -5.01 105.19 106.51 2ppb n GLY 970 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2ppb n GLY 970 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ppb s LYS 971 N -0.54 1.53 0.44 1.61 -2.85 -1.21 -3.15 119.74 115.56 2ppb s LYS 971 Ca 0.00 -1.11 0.03 0.00 -1.00 0.00 0.00 55.97 53.89 2ppb s LYS 971 Cb 0.00 -1.75 -0.02 0.00 -2.06 0.00 0.00 37.83 33.99 2ppb s LYS 971 CO 0.00 0.44 0.09 0.14 0.10 0.00 0.00 175.35 176.12 2ppb s VAL 972 N -0.89 0.83 0.18 1.79 -7.23 -0.87 -3.44 120.40 110.78 2ppb s VAL 972 Ca 0.10 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.04 2ppb s VAL 972 Cb -0.10 -2.33 -0.08 0.00 0.56 0.00 0.00 36.38 34.43 2ppb s VAL 972 CO 0.03 0.00 0.74 -0.69 -0.31 0.00 0.00 175.10 174.87 2ppb s VAL 973 N -3.10 4.47 -0.01 1.32 1.01 -1.26 -1.31 120.40 121.51 2ppb s VAL 973 Ca 0.19 1.51 0.02 0.00 0.00 0.00 0.00 61.98 63.71 2ppb s VAL 973 Cb 0.03 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 2ppb s VAL 973 CO 0.11 0.40 -0.07 -0.22 0.00 0.00 0.00 175.10 175.33 2ppb s LEU 974 N -1.46 1.90 0.10 3.92 2.96 -1.26 -4.15 118.68 120.69 2ppb s LEU 974 Ca 0.38 -0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.10 2ppb s LEU 974 Cb -0.20 -0.41 -0.05 0.00 0.50 0.00 0.00 46.19 46.03 2ppb s LEU 974 CO 0.24 0.07 0.33 -0.31 -1.32 0.00 0.00 176.35 175.36 2ppb s TYR 975 N 0.01 3.51 0.28 5.38 1.51 -0.16 -0.30 117.35 127.57 2ppb s TYR 975 Ca 0.00 0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 56.58 2ppb s TYR 975 Cb -0.05 -1.98 0.42 0.00 -0.11 0.00 0.00 41.96 40.23 2ppb s TYR 975 CO -0.00 0.50 1.91 -0.44 -1.11 0.00 0.00 175.55 176.41 2ppb h ASP 976 N 3.17 1.02 0.00 2.29 3.45 -0.99 -1.72 116.42 123.64 2ppb h ASP 976 Ca -0.47 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2ppb h ASP 976 Cb 1.17 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 39.72 2ppb h ASP 976 CO 0.71 0.68 0.00 0.61 -1.57 0.00 0.00 179.24 179.67 2ppb n GLY 977 N -1.38 2.31 0.10 2.75 0.00 -1.26 -3.06 105.19 104.65 2ppb n GLY 977 Ca 0.14 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 2ppb n GLY 977 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ppb h ARG 978 N 0.00 0.10 0.00 1.61 0.11 -1.74 -3.38 114.38 111.08 2ppb h ARG 978 Ca 0.00 -0.18 -0.14 0.00 0.10 0.00 0.00 59.98 59.76 2ppb h ARG 978 Cb 0.00 0.07 -0.03 0.00 1.11 0.00 0.00 29.97 31.12 2ppb h ARG 978 CO 0.00 0.79 -1.56 -2.37 0.10 0.00 0.00 179.97 176.93 2ppb n THR 979 N -3.23 0.54 0.00 0.08 5.66 -1.26 -5.00 114.28 111.07 2ppb n THR 979 Ca -0.20 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 2ppb n THR 979 Cb 1.04 -0.72 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 2ppb n THR 979 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ppb n GLY 980 N 2.46 1.19 3.83 1.09 0.00 -1.26 -5.01 105.19 107.48 2ppb n GLY 980 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2ppb n GLY 980 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ppb s GLU 981 N -0.70 3.70 0.75 1.61 8.01 -1.26 -4.64 118.70 126.17 2ppb s GLU 981 Ca 0.00 1.02 -0.12 0.00 0.01 0.00 0.00 54.97 55.88 2ppb s GLU 981 Cb 0.00 -2.10 0.04 0.00 -4.31 0.00 0.00 34.13 27.76 2ppb s GLU 981 CO 0.00 -0.48 1.10 -1.25 0.01 0.00 0.00 175.26 174.64 2ppb s PRO 982 N -4.18 2.52 -0.61 0.39 0.05 -1.26 -0.40 135.00 131.51 2ppb s PRO 982 Ca 0.60 0.49 -0.20 0.00 0.05 0.00 0.00 61.00 61.94 2ppb s PRO 982 Cb -0.12 -1.98 0.09 0.00 0.05 0.00 0.00 34.50 32.54 2ppb s PRO 982 CO 0.35 -1.28 0.78 0.42 0.05 0.00 0.00 177.00 177.33 2ppb s ILE 983 N -3.31 4.67 -0.47 0.56 1.01 0.58 -4.73 121.20 119.51 2ppb s ILE 983 Ca 0.59 -0.82 -0.33 0.00 0.00 0.00 0.00 60.65 60.09 2ppb s ILE 983 Cb -0.12 -4.55 -0.16 0.00 0.01 0.00 0.00 42.46 37.64 2ppb s ILE 983 CO 0.52 -1.23 1.80 -0.62 0.00 0.00 0.00 174.94 175.41 2ppb n GLU 984 N 6.73 0.00 0.00 2.79 1.02 -1.26 -4.48 120.64 125.44 2ppb n GLU 984 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2ppb n GLU 984 Cb 0.43 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 2ppb n GLU 984 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ppb n GLY 985 N 5.87 2.15 3.75 0.62 0.00 -1.26 -5.01 105.19 111.31 2ppb n GLY 985 Ca 0.46 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 2ppb n GLY 985 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ppb s PRO 986 N -5.09 4.18 -0.15 1.61 0.02 -1.26 -4.83 135.00 129.48 2ppb s PRO 986 Ca 0.00 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.49 2ppb s PRO 986 Cb 0.00 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.46 2ppb s PRO 986 CO 0.00 -0.55 -0.14 0.42 -0.33 0.00 0.00 177.00 176.40 2ppb s ILE 987 N 0.00 2.81 0.62 2.83 1.01 -0.43 -4.82 121.20 123.21 2ppb s ILE 987 Ca 0.62 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 60.37 2ppb s ILE 987 Cb -0.45 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 2ppb s ILE 987 CO 0.46 0.52 1.13 0.68 0.00 0.00 0.00 174.94 177.73 2ppb s VAL 988 N 0.66 3.09 0.05 2.92 -7.23 -1.26 -2.04 120.40 116.59 2ppb s VAL 988 Ca -0.07 0.58 -0.13 0.00 -1.81 0.00 0.00 61.98 60.55 2ppb s VAL 988 Cb -0.16 -3.14 0.02 0.00 0.56 0.00 0.00 36.38 33.66 2ppb s VAL 988 CO 0.02 -0.24 0.29 0.68 -0.31 0.00 0.00 175.10 175.55 2ppb s VAL 989 N -2.04 0.09 0.00 1.32 -7.23 -1.19 -2.10 120.40 109.25 2ppb s VAL 989 Ca 0.71 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 2ppb s VAL 989 Cb -0.23 -0.97 0.00 0.00 0.56 0.00 0.00 36.38 35.74 2ppb s VAL 989 CO 0.36 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 2ppb n GLY 990 N 0.51 -0.44 3.55 2.32 0.00 -0.42 -4.48 105.19 106.24 2ppb n GLY 990 Ca -0.18 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 2ppb n GLY 990 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ppb s GLN 991 N -2.00 3.42 -0.12 1.61 -0.21 -1.24 -0.06 119.66 121.06 2ppb s GLN 991 Ca 0.00 -0.01 0.01 0.00 0.02 0.00 0.00 55.36 55.37 2ppb s GLN 991 Cb 0.00 -4.03 -0.01 0.00 1.00 0.00 0.00 33.01 29.97 2ppb s GLN 991 CO 0.00 -1.55 -0.14 1.41 -2.12 0.00 0.00 175.29 172.88 2ppb s MET 992 N 4.38 3.30 -0.28 2.91 1.75 -0.57 -4.32 119.30 126.47 2ppb s MET 992 Ca 0.36 -0.71 -0.29 0.00 -1.25 0.00 0.00 55.69 53.81 2ppb s MET 992 Cb -0.10 -2.58 -0.01 0.00 2.84 0.00 0.00 34.83 34.98 2ppb s MET 992 CO 0.22 0.23 1.38 0.12 -0.65 0.00 0.00 175.02 176.33 2ppb s PHE 993 N 0.29 2.54 -0.07 4.11 5.99 -1.26 -2.66 117.98 126.92 2ppb s PHE 993 Ca -0.11 0.79 0.01 0.00 0.00 0.00 0.00 56.93 57.62 2ppb s PHE 993 Cb -0.16 -3.93 0.02 0.00 0.00 0.00 0.00 43.02 38.95 2ppb s PHE 993 CO 0.06 -2.02 -0.09 0.42 -0.00 0.00 0.00 175.22 173.59 2ppb s ILE 994 N 4.59 0.89 0.21 3.12 1.01 -1.21 -4.31 121.20 125.51 2ppb s ILE 994 Ca 0.60 -0.31 0.06 0.00 0.00 0.00 0.00 60.65 61.00 2ppb s ILE 994 Cb -0.19 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 2ppb s ILE 994 CO 0.25 0.31 0.17 0.00 0.00 0.00 0.00 174.94 175.67 2ppb s MET 995 N 0.95 2.92 -0.15 2.79 0.23 -0.85 -2.27 119.30 122.92 2ppb s MET 995 Ca -0.10 -0.97 -0.13 0.00 -1.03 0.00 0.00 55.69 53.47 2ppb s MET 995 Cb -0.15 -2.60 -0.05 0.00 -1.53 0.00 0.00 34.83 30.50 2ppb s MET 995 CO 0.00 0.44 0.26 0.21 -2.03 0.00 0.00 175.02 173.91 2ppb s LYS 996 N -3.50 4.17 0.26 3.16 2.36 -1.26 -0.87 119.74 124.05 2ppb s LYS 996 Ca 0.32 0.05 -0.11 0.00 -2.55 0.00 0.00 55.97 53.68 2ppb s LYS 996 Cb -0.09 -3.40 -0.08 0.00 -1.05 0.00 0.00 37.83 33.22 2ppb s LYS 996 CO 0.24 0.31 0.60 -0.51 1.55 0.00 0.00 175.35 177.55 2ppb s LEU 997 N 0.25 4.14 0.23 5.43 1.43 -0.40 -3.60 118.68 126.17 2ppb s LEU 997 Ca 0.16 1.03 -0.32 0.00 -1.03 0.00 0.00 54.13 53.96 2ppb s LEU 997 Cb -0.13 -3.80 -0.12 0.00 0.03 0.00 0.00 46.19 42.17 2ppb s LEU 997 CO 0.04 -0.11 1.67 0.00 0.23 0.00 0.00 176.35 178.17 2ppb n TYR 998 N -0.20 2.70 -2.81 0.29 9.36 -1.16 -4.71 117.16 120.63 2ppb n TYR 998 Ca 0.01 0.13 -0.43 0.00 3.32 0.00 0.00 57.90 60.94 2ppb n TYR 998 Cb 0.53 -2.63 -0.04 0.00 -0.63 0.00 0.00 39.34 36.56 2ppb n TYR 998 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 2ppb s HIS 999 N 0.81 2.63 0.83 2.98 3.76 -1.26 -5.02 115.29 120.03 2ppb s HIS 999 Ca 0.73 -0.41 -0.12 0.00 -0.15 0.00 0.00 55.06 55.11 2ppb s HIS 999 Cb -0.53 -4.31 0.12 0.00 1.11 0.00 0.00 32.58 28.97 2ppb s HIS 999 CO 0.37 -1.67 1.18 1.41 -0.85 0.00 0.00 174.74 175.19 2ppb s MET 1000N 4.28 1.54 0.00 1.40 1.75 -1.26 -4.89 119.30 122.12 2ppb s MET 1000Ca 0.25 -0.22 0.14 0.00 -1.25 0.00 0.00 55.69 54.61 2ppb s MET 1000Cb -0.15 -1.98 0.85 0.00 2.84 0.00 0.00 34.83 36.38 2ppb s MET 1000CO 0.12 -1.79 1.27 0.28 -0.65 0.00 0.00 175.02 174.24 2ppb n VAL 1001N -3.36 0.00 0.05 10.11 0.31 -1.26 -1.16 118.33 123.02 2ppb n VAL 1001Ca 0.11 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.37 2ppb n VAL 1001Cb 0.60 -0.77 -0.11 0.00 -0.91 0.00 0.00 33.84 32.65 2ppb n VAL 1001CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2ppb h GLU 1002N 0.00 0.00 0.02 5.55 4.11 -1.97 -3.34 114.58 118.95 2ppb h GLU 1002Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ppb h GLU 1002Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ppb h GLU 1002CO 0.00 0.87 -0.01 0.38 0.07 0.00 0.00 179.01 180.32 2ppb h ASP 1003N 0.00 -0.03 -0.41 3.06 2.03 -1.48 -3.39 116.42 116.21 2ppb h ASP 1003Ca -0.06 -0.70 -0.25 0.00 -0.73 0.00 0.00 57.03 55.30 2ppb h ASP 1003Cb 1.78 0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 40.26 2ppb h ASP 1003CO 0.12 0.72 0.80 -0.54 -1.03 0.00 0.00 179.24 179.30 2ppb s LYS 1004N -3.04 2.19 0.00 4.15 -0.14 -1.15 -4.88 119.74 116.87 2ppb s LYS 1004Ca -0.16 -0.90 0.00 0.00 -1.36 0.00 0.00 55.97 53.55 2ppb s LYS 1004Cb -0.01 -5.16 0.00 0.00 -1.68 0.00 0.00 37.83 30.98 2ppb s LYS 1004CO 0.63 -4.29 0.00 0.00 -0.76 0.00 0.00 175.35 170.93 2ppb n MET 1005N 8.32 0.00 -3.79 1.68 0.00 -1.26 -4.91 117.12 117.16 2ppb n MET 1005Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.84 2ppb n MET 1005Cb 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.53 2ppb n MET 1005CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 2ppb s HIS 1006N 0.00 1.86 -0.13 3.17 3.76 -1.26 -4.86 115.29 117.83 2ppb s HIS 1006Ca 0.00 -1.68 0.03 0.00 -0.15 0.00 0.00 55.06 53.26 2ppb s HIS 1006Cb 0.00 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 32.03 2ppb s HIS 1006CO 0.00 -0.82 -0.21 0.00 -0.85 0.00 0.00 174.74 172.86 2ppb s ALA 1007N 1.57 2.27 -0.06 -1.40 0.00 -1.26 -5.02 121.76 117.85 2ppb s ALA 1007Ca 0.05 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.01 2ppb s ALA 1007Cb -0.18 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 21.97 2ppb s ALA 1007CO -0.17 0.09 -0.18 0.50 0.00 0.00 0.00 175.76 175.99 2ppb s ARG 1008N 0.64 2.14 0.00 0.00 3.00 -1.26 -4.75 118.95 118.72 2ppb s ARG 1008Ca -0.11 -0.65 0.00 0.00 -1.00 0.00 0.00 55.73 53.97 2ppb s ARG 1008Cb -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 34.95 33.03 2ppb s ARG 1008CO 0.02 0.19 0.00 0.45 0.00 0.00 0.00 175.30 175.96 2ppb n SER 1009N 3.39 0.00 -4.27 -2.12 2.88 -1.26 -5.01 113.62 107.23 2ppb n SER 1009Ca -0.20 0.08 -0.15 0.00 -1.33 0.00 0.00 58.87 57.28 2ppb n SER 1009Cb 0.53 -0.13 -0.10 0.00 -0.75 0.00 0.00 64.21 63.75 2ppb n SER 1009CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2ppb s THR 1010N -0.26 0.83 -0.44 2.46 2.01 -1.26 -5.13 115.64 113.85 2ppb s THR 1010Ca 0.00 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.00 2ppb s THR 1010Cb 0.00 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.34 2ppb s THR 1010CO 0.00 -0.45 0.00 0.61 -0.69 0.00 0.00 174.62 174.09 2ppb n GLY 1011N -0.29 -0.56 3.38 4.40 0.00 -1.26 -4.97 105.19 105.89 2ppb n GLY 1011Ca -0.06 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 2ppb n GLY 1011CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ppb s PRO 1012N -0.18 -2.24 -0.05 1.61 0.02 -1.25 -4.94 135.00 127.97 2ppb s PRO 1012Ca 0.00 0.29 -0.12 0.00 0.02 0.00 0.00 61.00 61.19 2ppb s PRO 1012Cb 0.00 -1.44 0.02 0.00 0.02 0.00 0.00 34.50 33.10 2ppb s PRO 1012CO 0.00 -4.46 0.29 0.71 -0.33 0.00 0.00 177.00 173.21 2ppb s TYR 1013N -2.40 -0.22 0.60 6.54 2.02 -1.26 -3.23 117.35 119.40 2ppb s TYR 1013Ca 0.69 0.45 -0.20 0.00 -0.37 0.00 0.00 57.07 57.64 2ppb s TYR 1013Cb -0.16 0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.46 2ppb s TYR 1013CO 0.59 -0.28 1.31 0.45 -1.57 0.00 0.00 175.55 176.05 2ppb n SER 1014N 1.98 2.29 -0.01 2.29 2.88 -0.30 -4.86 113.62 117.90 2ppb n SER 1014Ca -0.18 0.89 -0.18 0.00 -1.33 0.00 0.00 58.87 58.08 2ppb n SER 1014Cb 0.57 -1.56 -0.09 0.00 -0.75 0.00 0.00 64.21 62.38 2ppb n SER 1014CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2ppb h LEU 1015N 0.92 0.82 0.00 2.46 5.85 -1.98 -3.39 115.31 119.99 2ppb h LEU 1015Ca -0.51 -0.68 -0.29 0.00 0.84 0.00 0.00 57.88 57.25 2ppb h LEU 1015Cb 1.33 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 2ppb h LEU 1015CO 0.55 1.37 -1.74 2.30 -0.34 0.00 0.00 178.44 180.58 2ppb n ILE 1016N -4.02 1.52 -3.09 4.05 -0.00 -1.26 -4.86 119.36 111.69 2ppb n ILE 1016Ca -0.09 -0.14 -0.35 0.00 -0.00 0.00 0.00 62.75 62.17 2ppb n ILE 1016Cb 0.74 -2.04 -0.06 0.00 -0.00 0.00 0.00 39.64 38.27 2ppb n ILE 1016CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2ppb s THR 1017N -2.49 4.58 -0.42 7.28 -1.32 -1.26 -4.95 115.64 117.06 2ppb s THR 1017Ca -0.32 1.22 0.01 0.00 -1.21 0.00 0.00 61.69 61.39 2ppb s THR 1017Cb 0.09 -3.79 0.47 0.00 -1.51 0.00 0.00 72.50 67.77 2ppb s THR 1017CO 0.49 0.08 1.84 0.00 -2.21 0.00 0.00 174.62 174.82 2ppb n GLN 1018N 0.37 2.12 -3.27 7.08 1.13 -1.26 -3.67 117.38 119.88 2ppb n GLN 1018Ca -0.00 -2.47 -0.37 0.00 -1.94 0.00 0.00 57.00 52.22 2ppb n GLN 1018Cb 0.52 -1.97 -0.06 0.00 0.11 0.00 0.00 30.24 28.84 2ppb n GLN 1018CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2ppb s GLN 1019N -2.77 4.13 0.27 -1.09 -0.21 -1.26 -4.46 119.66 114.26 2ppb s GLN 1019Ca 0.48 0.67 -0.30 0.00 0.02 0.00 0.00 55.36 56.23 2ppb s GLN 1019Cb 0.39 -3.04 -0.14 0.00 1.00 0.00 0.00 33.01 31.23 2ppb s GLN 1019CO 0.05 0.52 1.24 -2.30 -2.12 0.00 0.00 175.29 172.69 2ppb n PRO 1020N 1.13 1.77 -3.68 2.91 -0.02 -1.26 -1.14 135.00 134.70 2ppb n PRO 1020Ca -0.06 0.62 -0.14 0.00 -2.02 0.00 0.00 63.50 61.89 2ppb n PRO 1020Cb 0.51 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.74 2ppb n PRO 1020CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ppb s LEU 1021N -0.02 0.20 0.00 2.45 1.43 -1.20 -4.38 118.68 117.16 2ppb s LEU 1021Ca 0.63 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 2ppb s LEU 1021Cb -0.67 1.74 0.00 0.00 0.03 0.00 0.00 46.19 47.29 2ppb s LEU 1021CO 0.56 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 177.37 2ppb n GLY 1022N 1.79 1.42 0.00 -3.19 0.00 -1.25 -3.94 105.19 100.02 2ppb n GLY 1022Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2ppb n GLY 1022CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppb n GLY 1023N 5.00 1.15 0.00 -0.02 0.00 -0.94 -4.90 105.19 105.48 2ppb n GLY 1023Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2ppb n GLY 1023CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ppb n LYS 1024N 0.00 0.00 -0.04 1.61 5.02 -1.26 -4.70 118.16 118.80 2ppb n LYS 1024Ca 0.00 0.09 -0.02 0.00 -2.02 0.00 0.00 58.31 56.36 2ppb n LYS 1024Cb 0.00 -1.07 -0.08 0.00 -0.02 0.00 0.00 35.03 33.87 2ppb n LYS 1024CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ppb n ALA 1025N -0.77 1.94 -2.55 7.82 0.00 -1.26 -4.89 120.51 120.80 2ppb n ALA 1025Ca 0.00 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 2ppb n ALA 1025Cb 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.31 2ppb n ALA 1025CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2ppb s GLN 1026N -2.37 3.54 0.38 0.00 1.11 -1.26 -4.50 119.66 116.55 2ppb s GLN 1026Ca -0.04 -0.16 0.21 0.00 0.01 0.00 0.00 55.36 55.37 2ppb s GLN 1026Cb 0.04 -3.85 1.27 0.00 -1.01 0.00 0.00 33.01 29.46 2ppb s GLN 1026CO 0.40 -0.77 1.62 0.74 0.01 0.00 0.00 175.29 177.30 2ppb h PHE 1027N 8.57 0.79 0.00 0.91 0.04 -1.88 -2.49 116.94 122.88 2ppb h PHE 1027Ca -0.27 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.54 2ppb h PHE 1027Cb 1.11 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.07 2ppb h PHE 1027CO 0.73 -0.30 0.00 0.41 -0.60 0.00 0.00 178.31 178.55 2ppb n GLY 1028N -1.33 -0.01 3.78 -1.45 0.00 -1.26 -4.26 105.19 100.66 2ppb n GLY 1028Ca 0.35 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 2ppb n GLY 1028CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ppb s GLY 1029N -0.56 1.78 0.40 -0.02 0.00 -1.26 -4.76 107.32 102.90 2ppb s GLY 1029Ca 0.00 0.27 -0.17 0.00 0.00 0.00 0.00 44.72 44.83 2ppb s GLY 1029CO 0.00 0.61 0.86 1.62 0.00 0.00 0.00 173.10 176.18 2ppb s GLN 1030N -4.75 4.04 0.27 2.90 2.00 -1.26 -4.97 119.66 117.89 2ppb s GLN 1030Ca 0.61 0.84 -0.26 0.00 -2.00 0.00 0.00 55.36 54.55 2ppb s GLN 1030Cb -0.17 -2.29 -0.09 0.00 0.80 0.00 0.00 33.01 31.26 2ppb s GLN 1030CO 0.52 -0.01 0.90 1.03 -0.50 0.00 0.00 175.29 177.23 2ppb s ARG 1031N -3.36 4.63 0.00 1.67 0.52 -1.26 -4.99 118.95 116.15 2ppb s ARG 1031Ca 0.57 1.30 0.17 0.00 -0.52 0.00 0.00 55.73 57.26 2ppb s ARG 1031Cb -0.10 -3.01 0.11 0.00 0.52 0.00 0.00 34.95 32.46 2ppb s ARG 1031CO 0.20 0.40 1.01 0.34 0.02 0.00 0.00 175.30 177.28 2ppb n PHE 1032N 0.99 0.00 -0.32 -0.53 7.35 -1.26 -5.09 117.46 118.60 2ppb n PHE 1032Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 2ppb n PHE 1032Cb 0.49 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.32 2ppb n PHE 1032CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2ppb n GLY 1033N 1.02 0.00 0.33 7.13 0.00 -1.26 -3.60 105.19 108.81 2ppb n GLY 1033Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 2ppb n GLY 1033CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ppb h GLU 1034N 0.00 0.95 -0.86 1.61 4.11 -1.98 0.07 114.58 118.48 2ppb h GLU 1034Ca 0.00 -0.06 0.22 0.00 0.07 0.00 0.00 59.36 59.59 2ppb h GLU 1034Cb 0.00 -0.21 -0.13 0.00 0.50 0.00 0.00 28.75 28.90 2ppb h GLU 1034CO 0.00 0.63 0.24 0.52 0.07 0.00 0.00 179.01 180.47 2ppb h MET 1035N 0.98 0.23 0.03 1.06 2.86 -2.01 0.35 114.93 118.44 2ppb h MET 1035Ca 0.41 -0.01 -0.22 0.00 -2.06 0.00 0.00 59.70 57.82 2ppb h MET 1035Cb 0.26 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2ppb h MET 1035CO -0.20 0.15 -0.99 0.93 1.06 0.00 0.00 176.91 177.87 2ppb h GLU 1036N 0.24 0.22 -0.14 1.72 3.07 -1.17 -3.00 114.58 115.52 2ppb h GLU 1036Ca 0.53 -0.28 0.04 0.00 -0.50 0.00 0.00 59.36 59.15 2ppb h GLU 1036Cb 1.04 0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 29.00 2ppb h GLU 1036CO -0.62 1.04 -0.09 0.28 -1.40 0.00 0.00 179.01 178.23 2ppb h VAL 1037N 0.10 0.73 -0.75 3.13 2.07 0.13 -1.82 116.25 119.85 2ppb h VAL 1037Ca -0.07 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.58 2ppb h VAL 1037Cb 1.65 0.73 -0.09 0.00 -1.52 0.00 0.00 31.29 32.07 2ppb h VAL 1037CO 0.15 0.00 0.32 -0.50 0.02 0.00 0.00 177.57 177.57 2ppb h TRP 1038N -0.09 0.56 -0.49 1.57 6.55 -0.84 0.44 115.95 123.65 2ppb h TRP 1038Ca 0.08 0.03 0.09 0.00 0.95 0.00 0.00 58.89 60.05 2ppb h TRP 1038Cb 0.21 -0.14 -0.08 0.00 -0.86 0.00 0.00 29.16 28.30 2ppb h TRP 1038CO -0.22 0.11 0.04 0.00 -1.05 0.00 0.00 178.44 177.32 2ppb h ALA 1039N 1.52 0.50 -0.27 1.49 0.00 -1.20 0.89 119.26 122.18 2ppb h ALA 1039Ca 0.40 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 55.30 2ppb h ALA 1039Cb 0.56 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2ppb h ALA 1039CO -0.36 -0.36 -0.40 -0.07 0.00 0.00 0.00 179.25 178.05 2ppb h LEU 1040N 0.16 0.67 -0.36 0.00 4.07 -0.59 -2.67 115.31 116.59 2ppb h LEU 1040Ca 0.25 -0.30 0.06 0.00 0.08 0.00 0.00 57.88 57.97 2ppb h LEU 1040Cb 0.36 -0.19 -0.06 0.00 1.08 0.00 0.00 40.66 41.85 2ppb h LEU 1040CO -0.38 1.00 0.01 -0.33 -1.08 0.00 0.00 178.44 177.65 2ppb h GLU 1041N 0.52 0.10 -0.06 1.13 5.08 0.26 -2.26 114.58 119.36 2ppb h GLU 1041Ca 0.04 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2ppb h GLU 1041Cb 0.92 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.09 2ppb h GLU 1041CO 0.08 0.07 -0.52 0.00 -1.00 0.00 0.00 179.01 177.64 2ppb h ALA 1042N 1.31 -0.92 -2.08 3.43 0.00 0.83 -3.41 119.26 118.42 2ppb h ALA 1042Ca 0.18 -0.07 -0.46 0.00 0.00 0.00 0.00 54.91 54.56 2ppb h ALA 1042Cb 0.24 0.97 0.22 0.00 0.00 0.00 0.00 17.79 19.22 2ppb h ALA 1042CO -0.29 -1.09 -0.17 0.66 0.00 0.00 0.00 179.25 178.36 2ppb n TYR 1043N -5.35 -0.99 0.46 0.00 4.02 -0.85 -4.87 117.16 109.59 2ppb n TYR 1043Ca -0.07 -0.01 0.03 0.00 -0.01 0.00 0.00 57.90 57.84 2ppb n TYR 1043Cb 0.38 -1.73 0.14 0.00 -0.02 0.00 0.00 39.34 38.11 2ppb n TYR 1043CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ppb n GLY 1044N 1.08 1.77 3.57 2.72 0.00 -1.26 -4.77 105.19 108.31 2ppb n GLY 1044Ca 0.04 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 2ppb n GLY 1044CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppb s ALA 1045N -1.62 1.99 -0.13 4.61 0.00 -1.25 -4.70 121.76 120.66 2ppb s ALA 1045Ca 0.19 -2.12 -0.18 0.00 0.00 0.00 0.00 51.96 49.85 2ppb s ALA 1045Cb 0.14 -4.64 -0.16 0.00 0.00 0.00 0.00 23.12 18.45 2ppb s ALA 1045CO 0.06 -4.84 0.44 0.00 0.00 0.00 0.00 175.76 171.42 2ppb h ALA 1046N 9.79 0.02 -0.57 0.00 0.00 -1.87 -3.03 119.26 123.61 2ppb h ALA 1046Ca 0.22 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2ppb h ALA 1046Cb 0.95 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2ppb h ALA 1046CO 1.26 0.07 -0.06 0.45 0.00 0.00 0.00 179.25 180.97 2ppb h HIS 1047N -1.00 1.15 -0.93 0.00 3.86 -1.98 0.24 115.15 116.50 2ppb h HIS 1047Ca -0.03 -0.22 0.08 0.00 -1.16 0.00 0.00 60.37 59.04 2ppb h HIS 1047Cb 0.67 -0.29 -0.07 0.00 1.06 0.00 0.00 27.41 28.79 2ppb h HIS 1047CO 0.15 1.05 0.60 1.15 0.86 0.00 0.00 177.93 181.74 2ppb h THR 1048N 0.93 1.02 -0.13 2.45 2.02 -1.94 0.77 112.91 118.02 2ppb h THR 1048Ca 0.15 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.89 2ppb h THR 1048Cb 0.63 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2ppb h THR 1048CO 0.04 0.18 -0.32 0.25 0.37 0.00 0.00 175.52 176.04 2ppb h LEU 1049N 1.00 0.51 -0.63 2.58 5.85 -1.26 -2.55 115.31 120.80 2ppb h LEU 1049Ca 0.42 -0.58 0.09 0.00 0.84 0.00 0.00 57.88 58.65 2ppb h LEU 1049Cb 0.30 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 2ppb h LEU 1049CO -0.17 1.00 0.25 -0.61 -0.34 0.00 0.00 178.44 178.57 2ppb h GLN 1050N 0.05 0.43 -0.44 1.25 5.75 0.63 -1.20 115.11 121.58 2ppb h GLN 1050Ca -0.00 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.55 2ppb h GLN 1050Cb 0.93 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.32 2ppb h GLN 1050CO 0.07 0.29 0.07 1.49 -2.65 0.00 0.00 178.83 178.10 2ppb h GLU 1051N 0.45 0.19 -0.77 1.69 4.81 0.56 0.72 114.58 122.22 2ppb h GLU 1051Ca 0.32 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2ppb h GLU 1051Cb 0.38 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 2ppb h GLU 1051CO -0.30 0.13 0.47 0.52 -0.73 0.00 0.00 179.01 179.10 2ppb h MET 1052N 0.20 1.04 0.00 1.92 2.86 -0.82 -0.68 114.93 119.46 2ppb h MET 1052Ca 0.22 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2ppb h MET 1052Cb 0.29 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2ppb h MET 1052CO -0.30 0.72 -0.62 1.28 1.06 0.00 0.00 176.91 179.05 2ppb n LEU 1053N -4.39 0.67 0.00 1.22 4.77 -0.69 -4.12 117.00 114.47 2ppb n LEU 1053Ca 0.08 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2ppb n LEU 1053Cb 0.06 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2ppb n LEU 1053CO 0.37 -0.04 0.00 0.41 -1.33 0.00 0.00 177.39 176.80 2ppb n THR 1054N -2.05 0.00 -0.31 -5.08 -1.04 0.19 -3.94 114.28 102.05 2ppb n THR 1054Ca 0.03 0.00 0.24 0.00 -2.04 0.00 0.00 64.05 62.28 2ppb n THR 1054Cb 0.43 -0.20 0.54 0.00 -1.82 0.00 0.00 70.33 69.28 2ppb n THR 1054CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2ppb h LEU 1055N 0.00 0.39 0.00 -4.42 3.38 -1.60 -1.04 115.31 112.02 2ppb h LEU 1055Ca 0.00 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 2ppb h LEU 1055Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2ppb h LEU 1055CO 0.00 0.09 -1.20 0.11 0.09 0.00 0.00 178.44 177.52 2ppb h LYS 1056N 0.35 0.00 0.00 1.13 1.57 -1.38 -3.33 116.57 114.91 2ppb h LYS 1056Ca 0.57 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.35 2ppb h LYS 1056Cb 1.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.85 2ppb h LYS 1056CO -0.25 0.32 -0.43 0.45 -0.57 0.00 0.00 179.45 178.98 2ppb n SER 1057N -2.95 0.13 -0.06 0.86 2.88 -0.75 -4.87 113.62 108.86 2ppb n SER 1057Ca -0.07 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.41 2ppb n SER 1057Cb 0.81 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.18 2ppb n SER 1057CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2ppb n ASP 1058N -2.65 2.33 -4.55 -3.46 10.43 -0.99 -4.30 116.55 113.35 2ppb n ASP 1058Ca 0.00 -0.01 -0.26 0.00 2.57 0.00 0.00 54.79 57.09 2ppb n ASP 1058Cb 0.21 0.61 -0.05 0.00 1.84 0.00 0.00 41.12 43.74 2ppb n ASP 1058CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2ppb s ASP 1059N -4.55 4.18 0.13 -2.24 -1.08 -0.47 -3.65 116.67 109.00 2ppb s ASP 1059Ca -0.08 0.62 -0.21 0.00 -0.52 0.00 0.00 52.55 52.36 2ppb s ASP 1059Cb 0.04 -2.52 -0.02 0.00 -1.46 0.00 0.00 42.92 38.95 2ppb s ASP 1059CO 0.44 -3.34 1.68 -0.29 0.52 0.00 0.00 175.17 174.18 2ppb h ILE 1060N 7.69 0.68 0.00 4.11 6.09 -1.88 0.17 117.51 134.36 2ppb h ILE 1060Ca -0.13 0.00 -0.15 0.00 -1.37 0.00 0.00 64.86 63.21 2ppb h ILE 1060Cb 1.15 0.68 -0.02 0.00 0.47 0.00 0.00 36.82 39.09 2ppb h ILE 1060CO 1.09 0.00 -0.70 -0.33 -3.07 0.00 0.00 178.15 175.14 2ppb h GLU 1061N -0.11 0.00 0.23 2.19 5.08 -1.94 -3.13 114.58 116.89 2ppb h GLU 1061Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2ppb h GLU 1061Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2ppb h GLU 1061CO -0.23 0.70 -0.11 0.78 -1.00 0.00 0.00 179.01 179.15 2ppb h GLY 1062N 2.11 -0.32 1.44 -3.84 0.00 -1.68 -2.24 103.07 98.54 2ppb h GLY 1062Ca -0.01 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.46 2ppb h GLY 1062CO 0.09 -0.12 0.34 0.07 0.00 0.00 0.00 176.54 176.93 2ppb h ARG 1063N -0.55 0.62 0.49 4.80 -0.00 -0.78 0.47 114.38 119.43 2ppb h ARG 1063Ca -0.03 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.98 59.89 2ppb h ARG 1063Cb 0.41 -0.14 0.00 0.00 -0.00 0.00 0.00 29.97 30.24 2ppb h ARG 1063CO 0.05 0.41 -0.24 -0.91 -0.00 0.00 0.00 179.97 179.29 2ppb h ASN 1064N 0.64 -0.56 -0.13 0.08 2.35 -1.48 -1.80 115.58 114.68 2ppb h ASN 1064Ca 0.20 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 2ppb h ASN 1064Cb 0.01 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2ppb h ASN 1064CO -0.05 -0.20 0.04 0.00 -1.65 0.00 0.00 177.43 175.58 2ppb h ALA 1065N -0.67 1.71 0.41 -0.83 0.00 -1.19 -2.60 119.26 116.08 2ppb h ALA 1065Ca -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2ppb h ALA 1065Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2ppb h ALA 1065CO 0.11 0.23 -0.28 0.00 0.00 0.00 0.00 179.25 179.31 2ppb h ALA 1066N 1.78 -0.67 0.11 0.00 0.00 0.05 -0.14 119.26 120.38 2ppb h ALA 1066Ca 0.07 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2ppb h ALA 1066Cb 0.12 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2ppb h ALA 1066CO -0.00 -0.89 -0.38 -0.92 0.00 0.00 0.00 179.25 177.05 2ppb h TYR 1067N -0.67 -1.10 -0.74 0.00 3.20 -1.04 -1.14 116.97 115.48 2ppb h TYR 1067Ca -0.04 0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.02 2ppb h TYR 1067Cb 0.56 0.46 -0.13 0.00 1.54 0.00 0.00 36.73 39.17 2ppb h TYR 1067CO -0.11 -0.43 0.02 1.49 -1.64 0.00 0.00 178.16 177.49 2ppb h GLU 1068N -0.56 0.12 -0.46 1.82 4.81 -1.47 0.14 114.58 118.98 2ppb h GLU 1068Ca -0.01 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2ppb h GLU 1068Cb 0.55 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 2ppb h GLU 1068CO -0.19 0.08 0.25 0.00 -0.73 0.00 0.00 179.01 178.41 2ppb h ALA 1069N 1.69 0.58 -0.69 2.92 0.00 -0.53 -1.89 119.26 121.33 2ppb h ALA 1069Ca 0.41 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 2ppb h ALA 1069Cb 0.71 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2ppb h ALA 1069CO -0.64 -0.09 0.21 0.82 0.00 0.00 0.00 179.25 179.55 2ppb h ILE 1070N 0.49 1.25 -0.95 0.00 2.04 0.24 0.81 117.51 121.40 2ppb h ILE 1070Ca 0.19 -0.88 0.12 0.00 1.00 0.00 0.00 64.86 65.29 2ppb h ILE 1070Cb 0.07 0.50 -0.08 0.00 -0.74 0.00 0.00 36.82 36.57 2ppb h ILE 1070CO -0.11 0.34 0.61 0.40 0.00 0.00 0.00 178.15 179.38 2ppb h ILE 1071N 1.02 0.91 0.00 -0.67 1.08 -0.07 -1.70 117.51 118.09 2ppb h ILE 1071Ca 0.22 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2ppb h ILE 1071Cb 0.30 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 2ppb h ILE 1071CO -0.01 0.17 -0.57 0.11 -0.69 0.00 0.00 178.15 177.16 2ppb h LYS 1072N 0.91 0.00 -0.25 2.37 1.57 -0.92 -3.48 116.57 116.77 2ppb h LYS 1072Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2ppb h LYS 1072Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2ppb h LYS 1072CO -0.23 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.06 2ppb n GLY 1073N 1.18 0.95 4.01 3.86 0.00 -0.31 -5.08 105.19 109.81 2ppb n GLY 1073Ca 0.02 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 2ppb n GLY 1073CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ppb s GLU 1074N -3.08 2.62 -0.41 1.61 2.02 0.27 -4.99 118.70 116.73 2ppb s GLU 1074Ca 0.00 -1.31 -0.16 0.00 0.02 0.00 0.00 54.97 53.53 2ppb s GLU 1074Cb 0.00 -2.69 0.02 0.00 0.10 0.00 0.00 34.13 31.56 2ppb s GLU 1074CO 0.00 -0.51 0.33 -0.51 0.02 0.00 0.00 175.26 174.59 2ppb s ASP 1075N -4.46 6.13 0.13 -0.19 -0.00 -1.26 -4.36 116.67 112.67 2ppb s ASP 1075Ca 0.58 -0.83 -0.15 0.00 -0.00 0.00 0.00 52.55 52.14 2ppb s ASP 1075Cb -0.09 -2.18 -0.09 0.00 -0.00 0.00 0.00 42.92 40.56 2ppb s ASP 1075CO 0.36 -0.48 0.26 1.33 -0.00 0.00 0.00 175.17 176.63 2ppb n VAL 1076N 5.23 1.01 -1.56 -1.27 0.24 -1.26 -4.92 118.33 115.80 2ppb n VAL 1076Ca -0.10 -0.28 -0.29 0.00 -2.04 0.00 0.00 64.34 61.63 2ppb n VAL 1076Cb 0.47 0.00 0.12 0.00 -1.47 0.00 0.00 33.84 32.96 2ppb n VAL 1076CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 2ppb s PRO 1077N -0.56 1.49 0.13 7.34 0.02 -1.26 -5.01 135.00 137.15 2ppb s PRO 1077Ca 0.36 0.39 -0.30 0.00 0.02 0.00 0.00 61.00 61.47 2ppb s PRO 1077Cb -0.50 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 32.09 2ppb s PRO 1077CO 0.32 -1.98 0.94 -1.21 -0.33 0.00 0.00 177.00 174.75 2ppb s GLU 1078N -5.26 4.71 -0.21 5.54 0.41 -1.26 -4.95 118.70 117.68 2ppb s GLU 1078Ca 0.63 1.43 -0.41 0.00 -0.41 0.00 0.00 54.97 56.20 2ppb s GLU 1078Cb -0.14 -3.36 -0.19 0.00 -1.78 0.00 0.00 34.13 28.66 2ppb s GLU 1078CO 0.53 0.27 1.24 -2.30 -0.49 0.00 0.00 175.26 174.52 2ppb n PRO 1079N 2.56 0.00 -2.62 0.39 -0.02 -1.26 -5.00 135.00 129.05 2ppb n PRO 1079Ca 0.01 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.27 2ppb n PRO 1079Cb 0.49 -1.44 0.04 0.00 -0.02 0.00 0.00 33.50 32.57 2ppb n PRO 1079CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ppb s SER 1080N 1.23 5.32 0.38 2.55 0.15 -1.26 -5.05 113.70 117.02 2ppb s SER 1080Ca 0.93 0.15 -0.26 0.00 0.70 0.00 0.00 55.95 57.47 2ppb s SER 1080Cb -1.31 -1.06 -0.09 0.00 -1.71 0.00 0.00 66.02 61.85 2ppb s SER 1080CO 0.65 -1.13 1.20 -0.69 1.20 0.00 0.00 173.24 174.46 2ppb s VAL 1081N -2.81 3.06 0.39 4.45 1.01 -1.26 -4.77 120.40 120.46 2ppb s VAL 1081Ca 0.56 0.93 -0.25 0.00 0.00 0.00 0.00 61.98 63.22 2ppb s VAL 1081Cb -0.10 -3.54 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 2ppb s VAL 1081CO 0.40 0.12 1.15 -2.84 0.00 0.00 0.00 175.10 173.93 2ppb s PRO 1082N -2.16 4.12 0.35 2.72 0.02 -1.26 -4.59 135.00 134.19 2ppb s PRO 1082Ca 0.55 1.80 0.04 0.00 0.02 0.00 0.00 61.00 63.41 2ppb s PRO 1082Cb -0.33 -2.70 0.66 0.00 0.02 0.00 0.00 34.50 32.15 2ppb s PRO 1082CO 0.42 -0.25 1.95 0.93 -0.33 0.00 0.00 177.00 179.71 2ppb h GLU 1083N 2.72 0.63 -0.70 5.54 4.39 -1.92 -1.65 114.58 123.59 2ppb h GLU 1083Ca -0.49 -0.08 0.09 0.00 0.34 0.00 0.00 59.36 59.23 2ppb h GLU 1083Cb 1.23 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.72 2ppb h GLU 1083CO 0.63 0.52 0.46 0.66 -1.16 0.00 0.00 179.01 180.12 2ppb h SER 1084N 0.63 0.52 0.25 1.42 4.64 -1.92 0.87 113.55 119.97 2ppb h SER 1084Ca 0.16 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 2ppb h SER 1084Cb 0.12 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2ppb h SER 1084CO -0.02 0.32 -0.12 0.15 -0.87 0.00 0.00 176.83 176.29 2ppb h PHE 1085N 0.58 -0.31 -0.11 4.77 -0.00 -1.69 -0.18 116.94 120.00 2ppb h PHE 1085Ca 0.32 -0.01 0.04 0.00 -0.00 0.00 0.00 57.97 58.32 2ppb h PHE 1085Cb 0.48 0.10 -0.05 0.00 -0.00 0.00 0.00 35.95 36.48 2ppb h PHE 1085CO -0.00 0.04 -0.18 0.00 -0.00 0.00 0.00 178.31 178.17 2ppb h ARG 1086N -0.73 -0.23 -0.51 1.11 3.08 -1.04 0.27 114.38 116.33 2ppb h ARG 1086Ca -0.03 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.10 2ppb h ARG 1086Cb 0.49 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2ppb h ARG 1086CO 0.06 -0.15 0.35 -0.24 -1.07 0.00 0.00 179.97 178.91 2ppb h VAL 1087N -0.24 0.95 0.10 2.04 3.04 0.73 -1.55 116.25 121.32 2ppb h VAL 1087Ca 0.09 -0.14 -0.00 0.00 -1.01 0.00 0.00 66.70 65.63 2ppb h VAL 1087Cb 0.37 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 2ppb h VAL 1087CO -0.25 0.08 -0.05 0.25 -1.01 0.00 0.00 177.57 176.59 2ppb h LEU 1088N 0.41 -0.11 0.10 3.16 6.46 0.10 -0.06 115.31 125.38 2ppb h LEU 1088Ca 0.23 -0.13 0.02 0.00 -0.12 0.00 0.00 57.88 57.88 2ppb h LEU 1088Cb 0.37 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.28 2ppb h LEU 1088CO -0.06 0.06 -0.38 0.58 -0.62 0.00 0.00 178.44 178.02 2ppb h VAL 1089N -0.28 0.22 -0.80 1.05 2.07 0.35 0.11 116.25 118.98 2ppb h VAL 1089Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2ppb h VAL 1089Cb 0.23 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 2ppb h VAL 1089CO 0.02 0.00 0.52 0.11 0.02 0.00 0.00 177.57 178.24 2ppb h LYS 1090N -0.60 1.05 -0.56 1.57 1.79 -1.28 0.26 116.57 118.80 2ppb h LYS 1090Ca 0.03 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2ppb h LYS 1090Cb 0.64 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 2ppb h LYS 1090CO -0.23 0.71 0.35 0.93 -1.08 0.00 0.00 179.45 180.13 2ppb h GLU 1091N 1.08 0.76 0.00 3.15 5.08 -0.27 0.68 114.58 125.05 2ppb h GLU 1091Ca 0.29 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 2ppb h GLU 1091Cb -0.11 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 2ppb h GLU 1091CO -0.06 0.53 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.28 2ppb h LEU 1092N 0.76 0.00 0.02 1.33 3.38 0.67 -1.46 115.31 120.01 2ppb h LEU 1092Ca 0.20 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.92 2ppb h LEU 1092Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2ppb h LEU 1092CO -0.04 0.13 -1.13 1.56 0.09 0.00 0.00 178.44 179.05 2ppb h GLN 1093N 0.00 0.26 -0.98 1.13 1.08 0.75 -3.02 115.11 114.33 2ppb h GLN 1093Ca -0.00 -0.39 0.23 0.00 -1.45 0.00 0.00 58.65 57.03 2ppb h GLN 1093Cb 0.26 0.14 -0.08 0.00 -0.05 0.00 0.00 27.48 27.75 2ppb h GLN 1093CO 0.02 1.15 0.63 0.00 -0.95 0.00 0.00 178.83 179.68 2ppb h ALA 1094N 0.69 2.14 -2.34 3.87 0.00 0.14 -3.37 119.26 120.39 2ppb h ALA 1094Ca -0.10 0.04 -0.50 0.00 0.00 0.00 0.00 54.91 54.35 2ppb h ALA 1094Cb 1.84 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2ppb h ALA 1094CO 0.18 -0.49 0.07 -0.51 0.00 0.00 0.00 179.25 178.50 2ppb s LEU 1095N -9.63 3.94 0.11 0.00 1.02 -1.12 -4.98 118.68 108.03 2ppb s LEU 1095Ca -0.09 1.11 -0.22 0.00 0.02 0.00 0.00 54.13 54.96 2ppb s LEU 1095Cb 0.24 -3.96 -0.05 0.00 0.02 0.00 0.00 46.19 42.44 2ppb s LEU 1095CO 0.79 -0.30 1.11 0.00 0.02 0.00 0.00 176.35 177.97 2ppb n ALA 1096N -0.93 -0.45 -0.48 4.21 0.00 -1.26 -4.70 120.51 116.90 2ppb n ALA 1096Ca 0.02 0.60 -0.17 0.00 0.00 0.00 0.00 53.44 53.89 2ppb n ALA 1096Cb 0.54 -0.09 -0.01 0.00 0.00 0.00 0.00 19.45 19.89 2ppb n ALA 1096CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ppb n LEU 1097N -4.84 -0.39 -4.19 0.00 7.99 -1.26 -4.88 117.00 109.44 2ppb n LEU 1097Ca 0.01 0.38 -0.35 0.00 -0.01 0.00 0.00 56.01 56.05 2ppb n LEU 1097Cb 0.18 -0.32 -0.14 0.00 -0.11 0.00 0.00 43.42 43.03 2ppb n LEU 1097CO -0.11 -0.98 -0.37 -0.62 -1.51 0.00 0.00 177.39 173.79 2ppb s ASP 1098N -0.31 4.70 -0.35 -1.43 2.15 -1.26 -4.10 116.67 116.07 2ppb s ASP 1098Ca 0.22 -1.11 -0.08 0.00 0.43 0.00 0.00 52.55 52.01 2ppb s ASP 1098Cb -0.32 -1.70 0.04 0.00 -0.30 0.00 0.00 42.92 40.63 2ppb s ASP 1098CO 0.19 -0.21 0.13 -0.69 -0.17 0.00 0.00 175.17 174.42 2ppb s VAL 1099N 1.29 4.00 -0.09 1.11 1.01 -1.26 -5.07 120.40 121.39 2ppb s VAL 1099Ca -0.03 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 60.93 2ppb s VAL 1099Cb -0.19 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2ppb s VAL 1099CO -0.02 -0.19 -0.20 -1.58 0.00 0.00 0.00 175.10 173.10 2ppb s GLN 1100N 1.45 2.62 0.70 2.72 2.00 -1.26 -5.05 119.66 122.84 2ppb s GLN 1100Ca -0.01 -0.74 -0.12 0.00 -2.00 0.00 0.00 55.36 52.49 2ppb s GLN 1100Cb -0.19 -2.02 0.02 0.00 0.80 0.00 0.00 33.01 31.62 2ppb s GLN 1100CO 0.04 0.14 1.08 -0.08 -0.50 0.00 0.00 175.29 175.97 2ppb s THR 1101N 0.41 3.58 0.33 -0.34 -1.32 -1.26 -5.06 115.64 111.98 2ppb s THR 1101Ca -0.17 0.58 0.04 0.00 -1.21 0.00 0.00 61.69 60.93 2ppb s THR 1101Cb -0.17 -3.15 -0.04 0.00 -1.51 0.00 0.00 72.50 67.63 2ppb s THR 1101CO 0.07 -0.60 0.15 -0.76 -2.21 0.00 0.00 174.62 171.27 2ppb s LEU 1102N -5.42 1.77 0.00 9.08 1.02 -1.26 -3.84 118.68 120.03 2ppb s LEU 1102Ca 0.62 -1.58 0.00 0.00 0.02 0.00 0.00 54.13 53.19 2ppb s LEU 1102Cb -0.17 0.12 0.00 0.00 0.02 0.00 0.00 46.19 46.16 2ppb s LEU 1102CO 0.50 -0.89 0.00 -0.67 0.02 0.00 0.00 176.35 175.32 2ppb n ASP 1103N -1.02 0.29 0.24 2.29 2.03 0.56 -4.65 116.55 116.29 2ppb n ASP 1103Ca -0.00 -0.77 -0.17 0.00 0.52 0.00 0.00 54.79 54.37 2ppb n ASP 1103Cb 0.65 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.96 2ppb n ASP 1103CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2ppb h GLU 1104N 0.00 -0.86 -6.53 -0.67 3.07 -1.94 -3.38 114.58 104.27 2ppb h GLU 1104Ca 0.00 0.06 -0.52 0.00 -0.50 0.00 0.00 59.36 58.39 2ppb h GLU 1104Cb 0.00 0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 2ppb h GLU 1104CO 0.00 -0.57 0.13 -1.59 -1.40 0.00 0.00 179.01 175.57 2ppb s LYS 1105N -5.88 4.36 -0.80 2.33 -2.85 -1.26 -4.92 119.74 110.72 2ppb s LYS 1105Ca -0.17 0.97 -0.26 0.00 -1.00 0.00 0.00 55.97 55.50 2ppb s LYS 1105Cb 0.05 -3.03 -0.14 0.00 -2.06 0.00 0.00 37.83 32.65 2ppb s LYS 1105CO 0.61 0.47 2.41 -0.25 0.10 0.00 0.00 175.35 178.69 2ppb n ASP 1106N 1.09 1.78 -3.92 0.03 8.00 -1.26 -4.78 116.55 117.49 2ppb n ASP 1106Ca -0.04 -1.53 -0.09 0.00 0.71 0.00 0.00 54.79 53.84 2ppb n ASP 1106Cb 0.50 -1.67 -0.08 0.00 -0.02 0.00 0.00 41.12 39.86 2ppb n ASP 1106CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2ppb s ASN 1107N 10.79 0.17 0.95 -2.24 0.01 -1.26 -4.90 114.94 118.45 2ppb s ASN 1107Ca 0.93 -0.76 -0.11 0.00 -0.71 0.00 0.00 52.86 52.21 2ppb s ASN 1107Cb -0.13 0.33 0.16 0.00 0.41 0.00 0.00 41.25 42.02 2ppb s ASN 1107CO 0.09 -0.73 1.11 -2.84 -1.51 0.00 0.00 177.10 173.22 2ppb s PRO 1108N -3.89 0.80 -0.03 -0.60 0.02 -1.26 0.21 135.00 130.24 2ppb s PRO 1108Ca 0.08 1.30 -0.15 0.00 0.02 0.00 0.00 61.00 62.25 2ppb s PRO 1108Cb 0.05 -1.72 0.03 0.00 0.02 0.00 0.00 34.50 32.88 2ppb s PRO 1108CO -0.09 -2.70 0.33 0.08 -0.33 0.00 0.00 177.00 174.29 2ppb s VAL 1109N -2.67 0.05 -0.18 3.83 1.01 -1.25 -4.28 120.40 116.92 2ppb s VAL 1109Ca 0.66 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2ppb s VAL 1109Cb -0.22 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.55 2ppb s VAL 1109CO 0.59 -0.22 -0.17 -0.62 0.00 0.00 0.00 175.10 174.68 2ppb s ASP 1110N -1.12 3.41 -0.09 3.32 -1.08 -1.26 -4.63 116.67 115.22 2ppb s ASP 1110Ca -0.12 -0.57 -0.00 0.00 -0.52 0.00 0.00 52.55 51.34 2ppb s ASP 1110Cb -0.05 -1.53 -0.00 0.00 -1.46 0.00 0.00 42.92 39.88 2ppb s ASP 1110CO 0.04 0.02 -0.00 0.16 0.52 0.00 0.00 175.17 175.91 2ppb h ILE 1111N 5.84 0.00 -2.23 4.11 3.07 -2.02 -3.41 117.51 122.87 2ppb h ILE 1111Ca -0.41 -0.92 -0.54 0.00 1.55 0.00 0.00 64.86 64.54 2ppb h ILE 1111Cb 1.16 0.00 -0.02 0.00 -0.27 0.00 0.00 36.82 37.69 2ppb h ILE 1111CO 0.61 0.00 1.38 -0.36 -1.05 0.00 0.00 178.15 178.73 2ppb s PHE 1112N -1.52 1.56 0.32 0.16 0.40 -1.26 -4.86 117.98 112.79 2ppb s PHE 1112Ca -0.00 0.80 0.10 0.00 -0.60 0.00 0.00 56.93 57.23 2ppb s PHE 1112Cb 0.00 -4.00 0.90 0.00 0.51 0.00 0.00 43.02 40.43 2ppb s PHE 1112CO 0.00 -2.89 1.73 1.49 0.70 0.00 0.00 175.22 176.26 2ppb h GLU 1113N 14.76 0.55 0.00 0.44 4.57 -2.02 -3.38 114.58 129.50 2ppb h GLU 1113Ca -0.31 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2ppb h GLU 1113Cb 1.19 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 2ppb h GLU 1113CO 1.09 0.37 0.00 0.41 -1.18 0.00 0.00 179.01 179.69 2ppb n GLY 1114N -1.32 0.57 0.10 1.92 0.00 -1.26 -4.95 105.19 100.26 2ppb n GLY 1114Ca 0.27 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.40 2ppb n GLY 1114CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ppb n LEU 1115N 0.00 1.09 0.01 0.99 4.32 -1.26 -4.18 117.00 117.97 2ppb n LEU 1115Ca 0.00 -0.43 -0.07 0.00 -0.02 0.00 0.00 56.01 55.49 2ppb n LEU 1115Cb 0.29 -0.06 -0.12 0.00 -1.62 0.00 0.00 43.42 41.91 2ppb n LEU 1115CO 0.00 0.25 -0.35 0.00 -1.22 0.00 0.00 177.39 176.07 2ppb h ALA 1116N 3.20 0.69 -2.83 -1.18 0.00 -1.93 -3.46 119.26 113.75 2ppb h ALA 1116Ca 0.00 -1.25 -0.56 0.00 0.00 0.00 0.00 54.91 53.10 2ppb h ALA 1116Cb 0.55 0.33 0.14 0.00 0.00 0.00 0.00 17.79 18.81 2ppb h ALA 1116CO 0.00 1.40 0.37 0.43 0.00 0.00 0.00 179.25 181.45 2ppb n SER 1117N -3.08 1.86 -4.86 0.00 7.64 -1.26 -4.94 113.62 108.99 2ppb n SER 1117Ca -0.12 0.95 -0.35 0.00 1.01 0.00 0.00 58.87 60.36 2ppb n SER 1117Cb 0.99 -1.47 -0.06 0.00 -1.01 0.00 0.00 64.21 62.66 2ppb n SER 1117CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2ppb s LYS 1118N -2.61 3.78 0.00 1.43 1.02 -1.26 -5.10 119.74 117.00 2ppb s LYS 1118Ca 0.70 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.90 2ppb s LYS 1118Cb -0.45 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 2ppb s LYS 1118CO 0.51 0.59 0.00 0.54 -0.92 0.00 0.00 175.35 176.06