#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ppb n LEU 2 N 0.00 0.18 0.00 4.03 -0.00 -1.26 -4.47 117.00 115.48 2ppb n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2ppb n LEU 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2ppb n LEU 2 CO 0.00 -0.23 0.00 -0.67 -0.00 0.00 0.00 177.39 176.49 2ppb n ASP 3 N -2.56 0.00 0.04 1.45 2.03 -1.26 -4.33 116.55 111.91 2ppb n ASP 3 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 2ppb n ASP 3 Cb 0.19 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.45 2ppb n ASP 3 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2ppb h SER 4 N 0.00 0.17 0.22 1.67 0.87 -1.98 -3.13 113.55 111.38 2ppb h SER 4 Ca 0.00 -0.24 -0.30 0.00 -1.23 0.00 0.00 61.79 60.02 2ppb h SER 4 Cb 0.00 -0.06 0.03 0.00 -0.44 0.00 0.00 62.40 61.94 2ppb h SER 4 CO 0.00 1.20 -1.31 0.50 -0.53 0.00 0.00 176.83 176.69 2ppb h LYS 5 N 0.03 0.49 -0.61 2.24 1.63 -1.96 -3.25 116.57 115.14 2ppb h LYS 5 Ca -0.18 -0.83 -0.03 0.00 -0.85 0.00 0.00 60.65 58.76 2ppb h LYS 5 Cb 1.94 0.31 -0.03 0.00 -0.60 0.00 0.00 32.23 33.85 2ppb h LYS 5 CO 0.13 1.40 0.27 1.25 -3.45 0.00 0.00 179.45 179.05 2ppb h LEU 6 N 0.03 0.80 -7.00 5.20 5.85 -1.76 -3.03 115.31 115.40 2ppb h LEU 6 Ca -0.23 -0.09 -0.53 0.00 0.84 0.00 0.00 57.88 57.87 2ppb h LEU 6 Cb 2.03 -0.20 0.04 0.00 0.37 0.00 0.00 40.66 42.90 2ppb h LEU 6 CO 0.25 0.70 1.74 1.17 -0.34 0.00 0.00 178.44 181.95 2ppb n LYS 7 N -4.34 1.19 -4.42 1.25 0.00 -1.18 -4.83 118.16 105.84 2ppb n LYS 7 Ca 0.05 -1.84 -0.26 0.00 0.00 0.00 0.00 58.31 56.27 2ppb n LYS 7 Cb 0.15 -3.09 -0.11 0.00 0.00 0.00 0.00 35.03 31.98 2ppb n LYS 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ppb s ALA 8 N 7.41 2.63 -0.30 3.14 0.00 -1.15 -4.90 121.76 128.60 2ppb s ALA 8 Ca 0.63 -1.67 -0.37 0.00 0.00 0.00 0.00 51.96 50.55 2ppb s ALA 8 Cb 0.10 -0.36 -0.13 0.00 0.00 0.00 0.00 23.12 22.73 2ppb s ALA 8 CO 0.17 0.40 2.03 -2.30 0.00 0.00 0.00 175.76 176.06 2ppb n PRO 9 N 0.04 1.24 -2.47 0.00 -0.02 -1.26 -4.50 135.00 128.03 2ppb n PRO 9 Ca -0.11 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.36 2ppb n PRO 9 Cb 0.57 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 2ppb n PRO 9 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ppb s VAL 10 N 5.84 3.75 -0.37 -1.45 1.01 0.54 -4.82 120.40 124.90 2ppb s VAL 10 Ca 1.04 0.54 -0.29 0.00 0.00 0.00 0.00 61.98 63.27 2ppb s VAL 10 Cb -0.90 -4.67 0.02 0.00 0.00 0.00 0.00 36.38 30.82 2ppb s VAL 10 CO 0.54 -1.51 1.19 0.12 0.00 0.00 0.00 175.10 175.44 2ppb s PHE 11 N 6.02 2.86 -0.09 5.22 5.36 -1.26 -3.81 117.98 132.27 2ppb s PHE 11 Ca 0.44 0.92 0.01 0.00 -0.96 0.00 0.00 56.93 57.34 2ppb s PHE 11 Cb -0.09 -4.03 -0.02 0.00 -0.34 0.00 0.00 43.02 38.54 2ppb s PHE 11 CO 0.20 -1.28 -0.11 0.95 -1.46 0.00 0.00 175.22 173.51 2ppb s THR 12 N 4.25 3.29 0.04 0.12 -4.23 -0.03 -5.02 115.64 114.06 2ppb s THR 12 Ca 0.51 -0.61 0.08 0.00 -1.18 0.00 0.00 61.69 60.49 2ppb s THR 12 Cb -0.12 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 2ppb s THR 12 CO 0.24 0.56 -0.23 0.68 -0.54 0.00 0.00 174.62 175.33 2ppb s VAL 13 N -0.26 1.82 -0.32 2.29 -7.23 -1.26 -1.69 120.40 113.74 2ppb s VAL 13 Ca 0.02 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2ppb s VAL 13 Cb -0.13 -1.57 0.14 0.00 0.56 0.00 0.00 36.38 35.38 2ppb s VAL 13 CO 0.03 0.26 0.30 -0.13 -0.31 0.00 0.00 175.10 175.25 2ppb s ARG 14 N -1.19 0.44 -0.09 4.82 0.52 -1.06 -5.04 118.95 117.34 2ppb s ARG 14 Ca 0.09 -0.55 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 2ppb s ARG 14 Cb -0.09 -0.79 0.01 0.00 0.52 0.00 0.00 34.95 34.60 2ppb s ARG 14 CO 0.02 -1.10 -0.15 -0.08 0.02 0.00 0.00 175.30 174.01 2ppb s THR 15 N 1.89 1.39 -0.22 0.02 -1.32 -1.26 -0.76 115.64 115.38 2ppb s THR 15 Ca 0.13 -0.60 -0.04 0.00 -1.21 0.00 0.00 61.69 59.97 2ppb s THR 15 Cb -0.16 -1.27 -0.01 0.00 -1.51 0.00 0.00 72.50 69.56 2ppb s THR 15 CO -0.20 0.42 -0.04 -1.10 -2.21 0.00 0.00 174.62 171.49 2ppb s GLN 16 N 0.85 3.40 2.22 7.08 -1.52 -1.05 -5.00 119.66 125.64 2ppb s GLN 16 Ca -0.10 -0.61 0.00 0.00 -1.95 0.00 0.00 55.36 52.70 2ppb s GLN 16 Cb -0.15 -3.02 0.00 0.00 -0.22 0.00 0.00 33.01 29.62 2ppb s GLN 16 CO 0.01 -0.18 0.00 0.41 -0.25 0.00 0.00 175.29 175.28 2ppb n GLY 17 N 4.74 -0.53 0.76 3.09 0.00 -1.26 -3.39 105.19 108.59 2ppb n GLY 17 Ca -0.18 -1.07 0.07 0.00 0.00 0.00 0.00 46.02 44.84 2ppb n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppb n ARG 18 N -0.49 2.41 -0.11 1.61 1.74 -1.26 -4.62 116.66 115.95 2ppb n ARG 18 Ca 0.00 -2.01 -0.18 0.00 -0.77 0.00 0.00 57.85 54.89 2ppb n ARG 18 Cb 0.00 -1.33 -0.06 0.00 -1.02 0.00 0.00 32.46 30.05 2ppb n ARG 18 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2ppb n GLU 19 N 0.79 0.55 -4.09 5.56 4.71 -1.26 -3.94 120.64 122.97 2ppb n GLU 19 Ca 0.13 0.28 -0.32 0.00 -0.01 0.00 0.00 57.16 57.25 2ppb n GLU 19 Cb 0.45 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 29.31 2ppb n GLU 19 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 2ppb s TYR 20 N -2.66 3.23 -0.30 -0.32 6.04 -1.22 0.60 117.35 122.72 2ppb s TYR 20 Ca -0.32 0.14 -0.07 0.00 0.04 0.00 0.00 57.07 56.86 2ppb s TYR 20 Cb 0.08 -1.68 0.18 0.00 -1.04 0.00 0.00 41.96 39.51 2ppb s TYR 20 CO 0.45 0.53 0.86 0.20 -1.54 0.00 0.00 175.55 176.05 2ppb s GLY 21 N -2.03 -0.74 0.28 8.97 0.00 -0.99 -2.53 107.32 110.28 2ppb s GLY 21 Ca 0.26 2.19 -0.20 0.00 0.00 0.00 0.00 44.72 46.97 2ppb s GLY 21 CO 0.18 3.71 0.79 -0.54 0.00 0.00 0.00 173.10 177.24 2ppb s GLU 22 N 2.91 4.25 -0.20 2.90 2.02 0.06 -2.41 118.70 128.22 2ppb s GLU 22 Ca 0.11 0.93 -0.03 0.00 0.02 0.00 0.00 54.97 55.99 2ppb s GLU 22 Cb -0.10 -2.69 0.07 0.00 0.10 0.00 0.00 34.13 31.50 2ppb s GLU 22 CO -0.18 0.27 0.06 -0.06 0.02 0.00 0.00 175.26 175.38 2ppb s PHE 23 N -1.72 0.82 -0.10 1.61 0.08 -0.71 -2.58 117.98 115.38 2ppb s PHE 23 Ca 0.49 -0.78 -0.04 0.00 0.12 0.00 0.00 56.93 56.71 2ppb s PHE 23 Cb -0.15 -0.98 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 2ppb s PHE 23 CO 0.20 -0.62 0.07 0.08 -0.10 0.00 0.00 175.22 174.85 2ppb s VAL 24 N 1.93 4.90 -0.20 -0.44 1.01 -0.68 -1.07 120.40 125.84 2ppb s VAL 24 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 2ppb s VAL 24 Cb -0.17 -3.10 0.10 0.00 0.00 0.00 0.00 36.38 33.21 2ppb s VAL 24 CO -0.11 0.61 0.32 -0.22 0.00 0.00 0.00 175.10 175.70 2ppb s LEU 25 N -0.97 -0.43 0.14 3.92 0.20 0.26 -0.86 118.68 120.94 2ppb s LEU 25 Ca 0.14 0.34 -0.17 0.00 0.69 0.00 0.00 54.13 55.13 2ppb s LEU 25 Cb -0.12 0.88 0.04 0.00 -0.43 0.00 0.00 46.19 46.56 2ppb s LEU 25 CO 0.03 -0.28 0.44 -1.83 -0.29 0.00 0.00 176.35 174.42 2ppb s GLU 26 N 2.47 1.14 0.59 1.98 1.03 -1.25 -2.34 118.70 122.32 2ppb s GLU 26 Ca 0.06 -0.70 -0.08 0.00 0.03 0.00 0.00 54.97 54.28 2ppb s GLU 26 Cb -0.14 0.49 -0.01 0.00 -0.80 0.00 0.00 34.13 33.67 2ppb s GLU 26 CO -0.13 -0.46 0.94 -2.14 -1.33 0.00 0.00 175.26 172.15 2ppb s PRO 27 N -3.81 3.22 0.07 -4.83 0.02 -1.26 -0.34 135.00 128.08 2ppb s PRO 27 Ca 0.04 0.32 0.04 0.00 0.02 0.00 0.00 61.00 61.42 2ppb s PRO 27 Cb 0.01 -2.20 -0.03 0.00 0.02 0.00 0.00 34.50 32.30 2ppb s PRO 27 CO -0.11 -0.61 -0.13 -0.51 -0.33 0.00 0.00 177.00 175.31 2ppb s LEU 28 N -5.05 2.29 0.00 -5.54 1.43 -0.75 -4.25 118.68 106.82 2ppb s LEU 28 Ca 0.53 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2ppb s LEU 28 Cb -0.11 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.68 2ppb s LEU 28 CO 0.49 -0.12 0.00 -0.62 0.23 0.00 0.00 176.35 176.32 2ppb n GLU 29 N 1.19 2.58 -3.31 1.70 -0.58 -1.26 -2.45 120.64 118.51 2ppb n GLU 29 Ca -0.21 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.15 2ppb n GLU 29 Cb 0.55 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.34 2ppb n GLU 29 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2ppb s ARG 30 N 0.00 4.15 -1.43 3.49 6.06 -1.26 -3.23 118.95 126.74 2ppb s ARG 30 Ca 0.00 0.28 -0.09 0.00 -2.50 0.00 0.00 55.73 53.43 2ppb s ARG 30 Cb 0.00 -3.57 0.05 0.00 0.06 0.00 0.00 34.95 31.49 2ppb s ARG 30 CO 0.00 -0.14 0.95 0.41 -2.50 0.00 0.00 175.30 174.02 2ppb n GLY 31 N 4.03 -0.44 0.10 8.12 0.00 -1.26 -4.91 105.19 110.83 2ppb n GLY 31 Ca -0.06 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 2ppb n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ppb n PHE 32 N -4.61 0.00 -0.35 1.61 3.01 -1.26 -3.84 117.46 112.01 2ppb n PHE 32 Ca -0.07 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.47 2ppb n PHE 32 Cb 0.58 -0.92 0.25 0.00 -0.01 0.00 0.00 39.48 39.38 2ppb n PHE 32 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2ppb h GLY 33 N 2.90 1.64 0.94 1.37 0.00 -1.89 0.71 103.07 108.74 2ppb h GLY 33 Ca -0.52 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 46.34 2ppb h GLY 33 CO -0.02 0.11 -0.05 -2.08 0.00 0.00 0.00 176.54 174.50 2ppb h VAL 34 N 0.92 1.27 0.00 4.60 2.07 -1.97 0.31 116.25 123.45 2ppb h VAL 34 Ca 0.51 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 2ppb h VAL 34 Cb 0.57 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2ppb h VAL 34 CO -0.29 0.36 -0.19 0.74 0.02 0.00 0.00 177.57 178.21 2ppb h THR 35 N 0.50 1.09 0.03 2.57 2.02 -1.30 -2.29 112.91 115.53 2ppb h THR 35 Ca 0.10 -0.65 -0.37 0.00 0.77 0.00 0.00 66.41 66.27 2ppb h THR 35 Cb 0.54 1.35 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 2ppb h THR 35 CO 0.03 0.18 -2.07 0.18 0.37 0.00 0.00 175.52 174.21 2ppb n LEU 36 N -4.25 2.31 -0.13 2.58 4.77 0.11 -4.31 117.00 118.08 2ppb n LEU 36 Ca -0.02 0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 56.12 2ppb n LEU 36 Cb 0.25 -0.95 0.02 0.00 -2.33 0.00 0.00 43.42 40.41 2ppb n LEU 36 CO 0.36 0.64 1.01 1.23 -1.33 0.00 0.00 177.39 179.30 2ppb h GLY 37 N 0.13 0.58 0.91 -0.72 0.00 -0.38 -2.67 103.07 100.91 2ppb h GLY 37 Ca -0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 2ppb h GLY 37 CO -0.18 0.13 -0.05 -0.57 0.00 0.00 0.00 176.54 175.87 2ppb h ASN 38 N 0.46 -0.12 0.06 0.19 -0.00 -1.63 -1.26 115.58 113.28 2ppb h ASN 38 Ca 0.17 -0.08 0.02 0.00 -0.00 0.00 0.00 56.30 56.41 2ppb h ASN 38 Cb 0.05 0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 38.38 2ppb h ASN 38 CO -0.10 0.00 -0.15 -0.65 -0.00 0.00 0.00 177.43 176.53 2ppb h PRO 39 N -0.24 -0.27 -0.95 6.67 0.11 -1.74 -0.81 132.00 134.77 2ppb h PRO 39 Ca -0.01 0.02 0.15 0.00 0.11 0.00 0.00 66.00 66.26 2ppb h PRO 39 Cb 0.19 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 31.28 2ppb h PRO 39 CO 0.02 -0.18 0.60 -0.07 -0.21 0.00 0.00 178.00 178.17 2ppb h LEU 40 N -0.28 0.76 0.06 2.35 3.38 -1.47 -1.25 115.31 118.87 2ppb h LEU 40 Ca 0.03 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2ppb h LEU 40 Cb 0.31 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2ppb h LEU 40 CO -0.10 0.37 -0.03 -0.09 0.09 0.00 0.00 178.44 178.67 2ppb h ARG 41 N 0.80 -0.08 -0.15 1.13 2.43 -0.35 0.03 114.38 118.19 2ppb h ARG 41 Ca 0.49 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.71 2ppb h ARG 41 Cb 0.70 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2ppb h ARG 41 CO -0.26 0.06 0.11 0.00 -1.51 0.00 0.00 179.97 178.37 2ppb h ARG 42 N -0.20 0.00 0.04 0.20 3.08 -0.31 -2.64 114.38 114.55 2ppb h ARG 42 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2ppb h ARG 42 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2ppb h ARG 42 CO 0.01 0.00 -0.02 0.82 -1.07 0.00 0.00 179.97 179.71 2ppb h ILE 43 N 0.00 1.12 -0.50 2.04 1.08 -0.98 -3.13 117.51 117.13 2ppb h ILE 43 Ca 0.07 -1.67 0.15 0.00 -0.39 0.00 0.00 64.86 63.01 2ppb h ILE 43 Cb 0.29 2.04 -0.02 0.00 -3.07 0.00 0.00 36.82 36.06 2ppb h ILE 43 CO -0.00 0.35 0.48 -0.07 -0.69 0.00 0.00 178.15 178.22 2ppb h LEU 44 N -0.94 0.00 0.08 1.44 3.38 -0.73 0.30 115.31 118.84 2ppb h LEU 44 Ca -0.01 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2ppb h LEU 44 Cb 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2ppb h LEU 44 CO 0.01 0.00 -1.93 0.18 0.09 0.00 0.00 178.44 176.79 2ppb n LEU 45 N -3.85 2.49 -0.11 1.67 4.77 -1.02 -4.46 117.00 116.49 2ppb n LEU 45 Ca 0.09 0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 56.07 2ppb n LEU 45 Cb 0.68 -1.05 -0.12 0.00 -2.33 0.00 0.00 43.42 40.61 2ppb n LEU 45 CO 0.30 0.73 -1.25 -0.24 -1.33 0.00 0.00 177.39 175.60 2ppb n SER 46 N -3.69 1.99 0.27 -1.43 2.88 -1.00 -4.45 113.62 108.19 2ppb n SER 46 Ca -0.35 0.08 -0.15 0.00 -1.33 0.00 0.00 58.87 57.12 2ppb n SER 46 Cb 0.96 -0.62 -0.08 0.00 -0.75 0.00 0.00 64.21 63.72 2ppb n SER 46 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ppb h SER 47 N -0.33 -0.58 -1.05 -3.46 0.02 -0.61 -2.71 113.55 104.83 2ppb h SER 47 Ca -0.58 -0.06 -0.69 0.00 -0.84 0.00 0.00 61.79 59.62 2ppb h SER 47 Cb 1.80 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.48 2ppb h SER 47 CO -0.17 -0.27 1.31 -0.38 -1.14 0.00 0.00 176.83 176.19 2ppb n ILE 48 N -5.30 0.20 -2.17 3.27 5.41 -1.20 -4.88 119.36 114.69 2ppb n ILE 48 Ca -0.11 -0.18 -0.36 0.00 1.00 0.00 0.00 62.75 63.10 2ppb n ILE 48 Cb 0.32 -1.43 0.01 0.00 -0.71 0.00 0.00 39.64 37.83 2ppb n ILE 48 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2ppb s PRO 49 N 5.68 3.27 0.00 0.38 0.02 -1.26 -4.38 135.00 138.70 2ppb s PRO 49 Ca 1.09 1.72 0.00 0.00 0.02 0.00 0.00 61.00 63.82 2ppb s PRO 49 Cb -0.97 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 31.51 2ppb s PRO 49 CO 0.54 -0.94 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 2ppb n GLY 50 N 0.32 4.25 3.06 0.52 0.00 -0.24 -4.72 105.19 108.39 2ppb n GLY 50 Ca 0.12 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 2ppb n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ppb s THR 51 N 0.01 -0.34 0.02 2.61 -4.23 -1.20 -2.92 115.64 109.60 2ppb s THR 51 Ca 0.00 0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 60.67 2ppb s THR 51 Cb 0.00 -0.46 -0.00 0.00 1.34 0.00 0.00 72.50 73.38 2ppb s THR 51 CO 0.00 0.10 0.14 0.00 -0.54 0.00 0.00 174.62 174.31 2ppb s ALA 52 N 2.14 -0.26 -0.15 3.99 0.00 -1.13 -4.56 121.76 121.78 2ppb s ALA 52 Ca -0.02 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.38 2ppb s ALA 52 Cb -0.11 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2ppb s ALA 52 CO -0.09 -0.27 1.74 0.08 0.00 0.00 0.00 175.76 177.23 2ppb s VAL 53 N -1.92 3.50 -0.13 0.00 1.01 -1.26 -2.89 120.40 118.71 2ppb s VAL 53 Ca -0.10 0.57 0.18 0.00 0.00 0.00 0.00 61.98 62.63 2ppb s VAL 53 Cb -0.05 -3.48 -0.20 0.00 0.00 0.00 0.00 36.38 32.65 2ppb s VAL 53 CO -0.01 -0.17 0.58 0.41 0.00 0.00 0.00 175.10 175.91 2ppb n THR 54 N 6.27 0.98 -3.47 3.92 -1.04 -1.11 -4.53 114.28 115.30 2ppb n THR 54 Ca 0.20 -0.69 -0.11 0.00 -2.04 0.00 0.00 64.05 61.41 2ppb n THR 54 Cb 0.44 -0.51 -0.02 0.00 -1.82 0.00 0.00 70.33 68.42 2ppb n THR 54 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2ppb s SER 55 N -5.44 -0.50 0.01 8.00 0.15 -1.26 -1.91 113.70 112.76 2ppb s SER 55 Ca -0.06 -0.04 -0.06 0.00 0.70 0.00 0.00 55.95 56.50 2ppb s SER 55 Cb 0.09 0.55 -0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2ppb s SER 55 CO 0.83 -0.90 0.11 -0.69 1.20 0.00 0.00 173.24 173.80 2ppb s VAL 56 N -3.59 0.09 -0.29 4.45 1.01 -0.89 -0.22 120.40 120.96 2ppb s VAL 56 Ca 0.03 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 2ppb s VAL 56 Cb -0.01 -0.45 0.10 0.00 0.00 0.00 0.00 36.38 36.02 2ppb s VAL 56 CO -0.11 -0.42 0.12 -0.47 0.00 0.00 0.00 175.10 174.22 2ppb s TYR 57 N -1.51 0.73 0.27 5.22 5.04 -0.47 -1.02 117.35 125.61 2ppb s TYR 57 Ca -0.14 -1.12 -0.29 0.00 -2.44 0.00 0.00 57.07 53.08 2ppb s TYR 57 Cb -0.07 -1.14 -0.09 0.00 0.35 0.00 0.00 41.96 41.01 2ppb s TYR 57 CO 0.01 -0.84 0.95 0.42 -1.34 0.00 0.00 175.55 174.75 2ppb s ILE 58 N 1.96 4.06 0.08 3.14 -1.09 -1.26 -2.28 121.20 125.81 2ppb s ILE 58 Ca 0.09 1.98 -0.18 0.00 -2.23 0.00 0.00 60.65 60.31 2ppb s ILE 58 Cb -0.16 -4.22 -0.09 0.00 -1.58 0.00 0.00 42.46 36.41 2ppb s ILE 58 CO -0.33 0.40 1.46 -0.33 -1.23 0.00 0.00 174.94 174.90 2ppb h GLU 59 N 3.86 0.51 -0.00 2.79 4.39 -1.70 -3.17 114.58 121.27 2ppb h GLU 59 Ca -0.46 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.03 2ppb h GLU 59 Cb 1.20 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2ppb h GLU 59 CO 0.67 0.75 -0.46 -0.40 -1.16 0.00 0.00 179.01 178.41 2ppb n ASP 60 N -4.51 0.49 -4.81 1.42 5.68 -1.26 -4.90 116.55 108.66 2ppb n ASP 60 Ca -0.04 -0.23 -0.38 0.00 -0.50 0.00 0.00 54.79 53.64 2ppb n ASP 60 Cb 0.33 0.20 -0.06 0.00 -1.14 0.00 0.00 41.12 40.45 2ppb n ASP 60 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2ppb s VAL 61 N -2.98 4.70 -0.20 2.12 1.01 -1.20 -5.00 120.40 118.85 2ppb s VAL 61 Ca 0.12 1.26 -0.05 0.00 0.00 0.00 0.00 61.98 63.30 2ppb s VAL 61 Cb 0.18 -3.92 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 2ppb s VAL 61 CO 0.68 0.53 -0.22 0.00 0.00 0.00 0.00 175.10 176.09 2ppb n LEU 62 N 1.62 2.07 -4.79 3.92 -0.00 -1.26 -4.65 117.00 113.92 2ppb n LEU 62 Ca -0.09 0.10 -0.25 0.00 -0.00 0.00 0.00 56.01 55.77 2ppb n LEU 62 Cb 0.51 -0.62 -0.06 0.00 -0.00 0.00 0.00 43.42 43.25 2ppb n LEU 62 CO 0.42 0.59 -0.11 -1.00 -0.00 0.00 0.00 177.39 177.29 2ppb s HIS 63 N -2.37 2.46 -0.03 1.47 3.76 -1.26 -4.70 115.29 114.61 2ppb s HIS 63 Ca -0.27 -0.62 0.19 0.00 -0.15 0.00 0.00 55.06 54.21 2ppb s HIS 63 Cb 0.09 -1.98 0.48 0.00 1.11 0.00 0.00 32.58 32.28 2ppb s HIS 63 CO 0.39 0.05 1.63 1.49 -0.85 0.00 0.00 174.74 177.45 2ppb h GLU 64 N 1.26 0.00 -0.87 1.40 4.22 -1.96 -3.28 114.58 115.34 2ppb h GLU 64 Ca -0.42 0.00 -0.29 0.00 0.08 0.00 0.00 59.36 58.73 2ppb h GLU 64 Cb 1.26 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.34 2ppb h GLU 64 CO 0.66 0.35 0.37 1.19 -2.18 0.00 0.00 179.01 179.40 2ppb n PHE 65 N -3.31 2.34 -2.81 0.92 3.01 -1.26 -3.29 117.46 113.06 2ppb n PHE 65 Ca 0.01 -1.29 -0.19 0.00 1.01 0.00 0.00 57.45 56.99 2ppb n PHE 65 Cb 0.58 -0.71 0.02 0.00 -0.01 0.00 0.00 39.48 39.36 2ppb n PHE 65 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2ppb s SER 66 N -0.86 5.46 -0.06 4.37 0.01 -1.24 -4.95 113.70 116.43 2ppb s SER 66 Ca 0.48 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.59 2ppb s SER 66 Cb 0.39 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2ppb s SER 66 CO 0.11 -0.96 -0.16 0.28 0.41 0.00 0.00 173.24 172.92 2ppb s THR 67 N -2.58 1.35 -0.19 1.44 -1.32 -1.26 -1.56 115.64 111.53 2ppb s THR 67 Ca 0.56 -0.64 -0.15 0.00 -1.21 0.00 0.00 61.69 60.25 2ppb s THR 67 Cb -0.10 -1.18 -0.04 0.00 -1.51 0.00 0.00 72.50 69.66 2ppb s THR 67 CO 0.36 0.40 0.34 -0.63 -2.21 0.00 0.00 174.62 172.88 2ppb s ILE 68 N 0.31 5.25 0.74 5.08 1.01 -1.26 -4.99 121.20 127.34 2ppb s ILE 68 Ca -0.09 0.61 -0.15 0.00 0.00 0.00 0.00 60.65 61.01 2ppb s ILE 68 Cb -0.14 -3.67 0.04 0.00 0.01 0.00 0.00 42.46 38.70 2ppb s ILE 68 CO 0.03 0.31 1.21 -2.65 0.00 0.00 0.00 174.94 173.84 2ppb n PRO 69 N 4.11 0.56 -0.55 2.79 -0.02 -1.26 -1.87 135.00 138.76 2ppb n PRO 69 Ca -0.10 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2ppb n PRO 69 Cb 0.51 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2ppb n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppb n GLY 70 N 0.75 0.76 3.10 -1.23 0.00 -1.26 -4.48 105.19 102.82 2ppb n GLY 70 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2ppb n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 71 N -2.35 2.23 0.08 1.61 1.01 -0.78 0.15 120.40 122.34 2ppb s VAL 71 Ca 0.00 -1.37 -0.35 0.00 0.00 0.00 0.00 61.98 60.26 2ppb s VAL 71 Cb 0.00 -2.19 -0.17 0.00 0.00 0.00 0.00 36.38 34.02 2ppb s VAL 71 CO 0.00 0.15 1.54 0.50 0.00 0.00 0.00 175.10 177.29 2ppb h LYS 72 N 7.85 -0.94 -6.96 2.72 1.63 -1.79 -3.42 116.57 115.66 2ppb h LYS 72 Ca -0.28 0.06 -0.55 0.00 -0.85 0.00 0.00 60.65 59.03 2ppb h LYS 72 Cb 1.08 0.21 0.18 0.00 -0.60 0.00 0.00 32.23 33.10 2ppb h LYS 72 CO 0.53 -0.63 0.11 -0.85 -3.45 0.00 0.00 179.45 175.15 2ppb n GLU 73 N -5.44 0.49 -3.80 1.90 0.00 -1.26 -4.98 120.64 107.55 2ppb n GLU 73 Ca -0.12 0.22 -0.27 0.00 0.00 0.00 0.00 57.16 56.99 2ppb n GLU 73 Cb 0.45 -2.23 -0.03 0.00 0.00 0.00 0.00 31.44 29.63 2ppb n GLU 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2ppb s ASP 74 N -1.66 6.37 0.32 -1.84 2.15 -1.26 -4.49 116.67 116.26 2ppb s ASP 74 Ca 0.73 0.32 0.09 0.00 0.43 0.00 0.00 52.55 54.12 2ppb s ASP 74 Cb -0.34 -1.97 0.94 0.00 -0.30 0.00 0.00 42.92 41.24 2ppb s ASP 74 CO 0.50 0.01 1.62 0.58 -0.17 0.00 0.00 175.17 177.72 2ppb h VAL 75 N 1.65 0.18 -0.35 1.11 2.07 -1.53 0.17 116.25 119.55 2ppb h VAL 75 Ca -0.48 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2ppb h VAL 75 Cb 1.19 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2ppb h VAL 75 CO 0.69 0.03 0.20 0.58 0.02 0.00 0.00 177.57 179.08 2ppb h VAL 76 N 0.15 1.13 -0.53 2.57 2.07 -1.78 0.11 116.25 119.98 2ppb h VAL 76 Ca 0.67 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.77 2ppb h VAL 76 Cb 1.50 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2ppb h VAL 76 CO -0.73 0.14 0.03 -0.08 0.02 0.00 0.00 177.57 176.95 2ppb h GLU 77 N 0.44 0.88 0.15 1.57 4.57 -1.11 -1.91 114.58 119.17 2ppb h GLU 77 Ca 0.12 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 2ppb h GLU 77 Cb 0.05 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2ppb h GLU 77 CO -0.02 0.86 -0.07 0.82 -1.18 0.00 0.00 179.01 179.41 2ppb h ILE 78 N 0.82 0.99 -0.28 2.32 2.04 -0.78 -1.74 117.51 120.88 2ppb h ILE 78 Ca 0.16 -0.89 0.08 0.00 1.00 0.00 0.00 64.86 65.21 2ppb h ILE 78 Cb 0.45 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2ppb h ILE 78 CO 0.02 0.20 0.25 0.16 0.00 0.00 0.00 178.15 178.77 2ppb h ILE 79 N -0.65 0.61 0.10 -0.67 -0.00 -0.75 0.45 117.51 116.59 2ppb h ILE 79 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.83 2ppb h ILE 79 Cb 0.48 0.82 0.00 0.00 -0.00 0.00 0.00 36.82 38.12 2ppb h ILE 79 CO 0.03 0.00 -0.05 0.25 -0.00 0.00 0.00 178.15 178.39 2ppb h LEU 80 N 0.00 -0.11 -2.12 0.16 5.85 -1.17 -2.93 115.31 114.99 2ppb h LEU 80 Ca 0.13 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.62 2ppb h LEU 80 Cb 0.62 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2ppb h LEU 80 CO -0.00 0.24 0.17 -1.13 -0.34 0.00 0.00 178.44 177.38 2ppb h ASN 81 N -0.48 0.00 0.21 1.25 -0.00 -0.04 -0.45 115.58 116.07 2ppb h ASN 81 Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.13 2ppb h ASN 81 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.71 2ppb h ASN 81 CO 0.02 0.00 -0.59 -0.07 -0.00 0.00 0.00 177.43 176.79 2ppb h LEU 82 N 0.00 0.43 -2.02 0.34 3.38 -1.01 -2.35 115.31 114.09 2ppb h LEU 82 Ca 0.10 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 57.91 2ppb h LEU 82 Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2ppb h LEU 82 CO -0.00 0.92 0.22 0.11 0.09 0.00 0.00 178.44 179.78 2ppb h LYS 83 N 0.29 0.00 0.00 1.13 1.57 -0.92 0.19 116.57 118.83 2ppb h LYS 83 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ppb h LYS 83 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2ppb h LYS 83 CO 0.10 0.00 0.00 1.49 -0.57 0.00 0.00 179.45 180.47 2ppb h GLU 84 N 0.00 0.00 -6.39 3.15 4.57 -1.41 -3.45 114.58 111.05 2ppb h GLU 84 Ca 0.14 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.78 2ppb h GLU 84 Cb 0.58 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.17 2ppb h GLU 84 CO -0.00 0.00 0.97 -1.17 -1.18 0.00 0.00 179.01 177.63 2ppb s LEU 85 N -5.92 4.34 -0.29 1.64 2.96 0.68 -4.98 118.68 117.11 2ppb s LEU 85 Ca 0.04 2.33 -0.04 0.00 -0.22 0.00 0.00 54.13 56.24 2ppb s LEU 85 Cb 0.08 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.24 2ppb s LEU 85 CO 0.58 -0.85 0.02 0.54 -1.32 0.00 0.00 176.35 175.32 2ppb s VAL 86 N 2.86 3.38 0.24 1.68 0.11 -1.26 -4.69 120.40 122.72 2ppb s VAL 86 Ca 0.71 -0.99 0.07 0.00 -2.93 0.00 0.00 61.98 58.84 2ppb s VAL 86 Cb -0.36 -2.79 -0.04 0.00 -1.53 0.00 0.00 36.38 31.66 2ppb s VAL 86 CO 0.30 0.05 0.17 0.68 -3.33 0.00 0.00 175.10 172.97 2ppb s VAL 87 N 1.38 4.35 -0.24 2.04 -7.23 -1.26 -3.01 120.40 116.42 2ppb s VAL 87 Ca -0.00 -1.42 -0.04 0.00 -1.81 0.00 0.00 61.98 58.71 2ppb s VAL 87 Cb -0.18 -3.33 0.08 0.00 0.56 0.00 0.00 36.38 33.51 2ppb s VAL 87 CO -0.01 -0.33 0.10 -0.60 -0.31 0.00 0.00 175.10 173.96 2ppb s ARG 88 N -3.74 0.27 0.41 4.82 3.00 0.42 -4.70 118.95 119.43 2ppb s ARG 88 Ca 0.32 -0.44 -0.04 0.00 -1.00 0.00 0.00 55.73 54.58 2ppb s ARG 88 Cb -0.08 -1.59 -0.04 0.00 0.00 0.00 0.00 34.95 33.25 2ppb s ARG 88 CO 0.24 -0.86 0.68 -0.06 0.00 0.00 0.00 175.30 175.30 2ppb s PHE 89 N 2.02 3.53 -0.51 5.12 0.08 -1.26 -2.14 117.98 124.82 2ppb s PHE 89 Ca 0.06 0.65 0.21 0.00 0.12 0.00 0.00 56.93 57.96 2ppb s PHE 89 Cb -0.16 -2.15 -0.27 0.00 -0.57 0.00 0.00 43.02 39.86 2ppb s PHE 89 CO -0.23 -0.08 0.67 -0.11 -0.10 0.00 0.00 175.22 175.37 2ppb n LEU 90 N -1.89 0.50 -3.60 -0.37 7.94 -1.07 -5.00 117.00 113.50 2ppb n LEU 90 Ca -0.01 -0.26 -0.16 0.00 -1.11 0.00 0.00 56.01 54.47 2ppb n LEU 90 Cb 0.55 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.43 2ppb n LEU 90 CO 0.51 0.12 0.29 0.54 -1.11 0.00 0.00 177.39 177.75 2ppb s ASN 91 N -3.66 -0.49 0.46 1.96 2.20 -1.26 -5.04 114.94 109.11 2ppb s ASN 91 Ca 0.00 0.47 0.35 0.00 -0.94 0.00 0.00 52.86 52.74 2ppb s ASN 91 Cb 0.15 0.46 1.52 0.00 -2.00 0.00 0.00 41.25 41.38 2ppb s ASN 91 CO 0.86 -0.57 1.59 -0.65 -2.94 0.00 0.00 177.10 175.39 2ppb h PRO 92 N 3.25 0.03 -0.48 3.55 0.11 -2.02 0.13 132.00 136.57 2ppb h PRO 92 Ca -0.28 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.97 2ppb h PRO 92 Cb 1.16 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2ppb h PRO 92 CO 0.40 0.02 0.50 0.77 -0.21 0.00 0.00 178.00 179.47 2ppb h SER 93 N 0.03 0.00 -3.43 -2.05 0.02 -2.03 -3.23 113.55 102.85 2ppb h SER 93 Ca 0.87 0.00 -0.77 0.00 -0.84 0.00 0.00 61.79 61.05 2ppb h SER 93 Cb 2.92 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 65.21 2ppb h SER 93 CO -0.37 0.00 0.39 -0.76 -1.14 0.00 0.00 176.83 174.94 2ppb s LEU 94 N -7.44 6.29 -0.18 5.07 1.43 0.45 -4.81 118.68 119.48 2ppb s LEU 94 Ca -0.04 -2.85 -0.24 0.00 -1.03 0.00 0.00 54.13 49.97 2ppb s LEU 94 Cb 0.16 -2.25 -0.21 0.00 0.03 0.00 0.00 46.19 43.91 2ppb s LEU 94 CO 0.56 -0.59 0.41 1.56 0.23 0.00 0.00 176.35 178.52 2ppb h GLN 95 N 7.61 0.00 -3.72 1.70 7.50 -1.83 -3.46 115.11 122.91 2ppb h GLN 95 Ca 0.15 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.77 2ppb h GLN 95 Cb 0.98 0.00 -0.39 0.00 0.05 0.00 0.00 27.48 28.12 2ppb h GLN 95 CO 0.90 0.99 -0.77 -0.08 -1.50 0.00 0.00 178.83 178.38 2ppb s THR 96 N -2.31 0.70 -0.14 -0.54 -1.32 -1.26 -2.87 115.64 107.90 2ppb s THR 96 Ca -0.25 -0.61 -0.01 0.00 -1.21 0.00 0.00 61.69 59.61 2ppb s THR 96 Cb 0.03 -1.12 -0.02 0.00 -1.51 0.00 0.00 72.50 69.88 2ppb s THR 96 CO 0.62 -0.13 -0.11 -0.69 -2.21 0.00 0.00 174.62 172.10 2ppb s VAL 97 N 1.78 3.19 -0.35 5.08 1.01 -0.33 -4.95 120.40 125.83 2ppb s VAL 97 Ca -0.01 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 2ppb s VAL 97 Cb -0.17 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 2ppb s VAL 97 CO -0.07 0.51 0.23 -0.89 0.00 0.00 0.00 175.10 174.87 2ppb s THR 98 N 0.48 5.06 -0.00 3.92 2.01 -1.26 -0.70 115.64 125.16 2ppb s THR 98 Ca -0.08 -0.39 -0.28 0.00 0.31 0.00 0.00 61.69 61.25 2ppb s THR 98 Cb -0.15 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2ppb s THR 98 CO 0.04 -0.06 0.89 -0.76 -0.69 0.00 0.00 174.62 174.04 2ppb s LEU 99 N 1.68 4.38 -0.06 4.42 1.02 -0.10 -4.89 118.68 125.13 2ppb s LEU 99 Ca 0.05 1.54 0.01 0.00 0.02 0.00 0.00 54.13 55.75 2ppb s LEU 99 Cb -0.18 -3.43 -0.03 0.00 0.02 0.00 0.00 46.19 42.57 2ppb s LEU 99 CO 0.09 -0.18 -0.05 -0.76 0.02 0.00 0.00 176.35 175.47 2ppb s LEU 100 N 0.76 3.26 -0.21 1.79 1.43 -1.26 -1.23 118.68 123.22 2ppb s LEU 100 Ca 0.47 -0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.40 2ppb s LEU 100 Cb -0.20 -1.75 0.06 0.00 0.03 0.00 0.00 46.19 44.33 2ppb s LEU 100 CO 0.25 0.35 0.54 -0.22 0.23 0.00 0.00 176.35 177.51 2ppb s LEU 101 N -0.96 -0.27 -0.12 1.79 2.96 -0.95 -1.92 118.68 119.22 2ppb s LEU 101 Ca 0.14 1.14 -0.04 0.00 -0.22 0.00 0.00 54.13 55.14 2ppb s LEU 101 Cb -0.11 1.86 0.06 0.00 0.50 0.00 0.00 46.19 48.50 2ppb s LEU 101 CO 0.03 -0.20 0.23 -0.75 -1.32 0.00 0.00 176.35 174.34 2ppb s LYS 102 N 0.81 0.12 0.02 1.98 2.20 -1.26 -1.21 119.74 122.40 2ppb s LYS 102 Ca -0.04 0.68 0.03 0.00 -0.36 0.00 0.00 55.97 56.28 2ppb s LYS 102 Cb -0.05 -0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.15 2ppb s LYS 102 CO -0.06 -0.28 -0.08 0.00 -0.36 0.00 0.00 175.35 174.56 2ppb s ALA 103 N 2.30 0.66 0.14 3.13 0.00 -0.68 -5.01 121.76 122.30 2ppb s ALA 103 Ca 0.01 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.46 2ppb s ALA 103 Cb -0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2ppb s ALA 103 CO -0.08 0.09 -0.09 -2.00 0.00 0.00 0.00 175.76 173.69 2ppb s GLU 104 N -0.83 1.03 2.06 0.00 2.56 -1.26 -2.57 118.70 119.69 2ppb s GLU 104 Ca -0.02 -1.44 0.00 0.00 0.00 0.00 0.00 54.97 53.51 2ppb s GLU 104 Cb -0.06 -0.54 0.00 0.00 2.00 0.00 0.00 34.13 35.53 2ppb s GLU 104 CO 0.00 0.05 0.00 0.41 -0.56 0.00 0.00 175.26 175.16 2ppb n GLY 105 N -0.18 -1.14 2.05 -1.50 0.00 -0.71 -4.34 105.19 99.38 2ppb n GLY 105 Ca -0.10 -1.23 -0.02 0.00 0.00 0.00 0.00 46.02 44.66 2ppb n GLY 105 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ppb n PRO 106 N -0.05 0.55 -4.33 1.61 -0.02 -0.64 -3.93 135.00 128.19 2ppb n PRO 106 Ca 0.00 -0.18 -0.24 0.00 -2.02 0.00 0.00 63.50 61.06 2ppb n PRO 106 Cb 0.00 -1.49 -0.12 0.00 -0.02 0.00 0.00 33.50 31.87 2ppb n PRO 106 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2ppb s LYS 107 N 1.74 1.26 0.02 -0.52 2.20 -1.18 -4.95 119.74 118.32 2ppb s LYS 107 Ca 0.12 -1.32 -0.25 0.00 -0.36 0.00 0.00 55.97 54.16 2ppb s LYS 107 Cb 0.06 -1.49 -0.05 0.00 -1.51 0.00 0.00 37.83 34.84 2ppb s LYS 107 CO 0.00 0.33 0.76 -1.21 -0.36 0.00 0.00 175.35 174.87 2ppb s GLU 108 N -2.34 4.48 -0.40 4.03 2.02 -1.26 -2.15 118.70 123.08 2ppb s GLU 108 Ca 0.12 1.04 -0.15 0.00 0.02 0.00 0.00 54.97 56.01 2ppb s GLU 108 Cb -0.08 -3.38 0.02 0.00 0.10 0.00 0.00 34.13 30.78 2ppb s GLU 108 CO 0.06 0.23 0.30 0.08 0.02 0.00 0.00 175.26 175.95 2ppb s VAL 109 N 0.16 5.25 0.38 2.63 1.01 0.79 -4.98 120.40 125.63 2ppb s VAL 109 Ca 0.39 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.84 2ppb s VAL 109 Cb -0.20 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 2ppb s VAL 109 CO 0.22 -0.29 0.46 -0.54 0.00 0.00 0.00 175.10 174.95 2ppb s LYS 110 N 1.71 2.86 0.47 2.72 1.02 -1.26 -0.33 119.74 126.92 2ppb s LYS 110 Ca 0.05 -1.22 0.31 0.00 0.02 0.00 0.00 55.97 55.14 2ppb s LYS 110 Cb -0.19 -2.67 1.34 0.00 -0.52 0.00 0.00 37.83 35.80 2ppb s LYS 110 CO 0.10 -0.08 1.93 0.00 -0.92 0.00 0.00 175.35 176.38 2ppb h ALA 111 N 0.90 1.00 0.00 5.17 0.00 0.04 -2.27 119.26 124.09 2ppb h ALA 111 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2ppb h ALA 111 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ppb h ALA 111 CO 0.52 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.66 2ppb n ARG 112 N -2.81 0.65 0.00 0.00 1.85 -1.00 -3.13 116.66 112.21 2ppb n ARG 112 Ca 0.01 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.99 2ppb n ARG 112 Cb 0.25 -1.50 0.62 0.00 -1.05 0.00 0.00 32.46 30.78 2ppb n ARG 112 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2ppb n ASP 113 N -1.18 0.00 -4.72 2.89 9.92 -0.86 -4.81 116.55 117.80 2ppb n ASP 113 Ca 0.18 0.36 -0.42 0.00 -0.53 0.00 0.00 54.79 54.38 2ppb n ASP 113 Cb 0.19 -0.45 -0.03 0.00 -0.64 0.00 0.00 41.12 40.19 2ppb n ASP 113 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2ppb s PHE 114 N -2.90 3.43 0.02 1.24 0.40 -1.18 -4.72 117.98 114.26 2ppb s PHE 114 Ca 0.16 1.31 -0.32 0.00 -0.60 0.00 0.00 56.93 57.48 2ppb s PHE 114 Cb 0.18 -3.44 -0.11 0.00 0.51 0.00 0.00 43.02 40.17 2ppb s PHE 114 CO 0.49 -1.32 1.86 1.47 0.70 0.00 0.00 175.22 178.42 2ppb n LEU 115 N 3.55 3.71 -4.66 -0.37 -0.00 -0.81 -4.88 117.00 113.54 2ppb n LEU 115 Ca 0.08 0.97 -0.42 0.00 -0.00 0.00 0.00 56.01 56.64 2ppb n LEU 115 Cb 0.46 -1.45 0.01 0.00 -0.00 0.00 0.00 43.42 42.43 2ppb n LEU 115 CO 0.56 0.03 0.75 -2.65 -0.00 0.00 0.00 177.39 176.07 2ppb n PRO 116 N 6.22 1.69 -4.93 1.47 -0.02 -1.26 -4.66 135.00 133.51 2ppb n PRO 116 Ca 0.20 0.60 -0.33 0.00 -2.02 0.00 0.00 63.50 61.96 2ppb n PRO 116 Cb 0.34 -2.19 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 2ppb n PRO 116 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2ppb s VAL 117 N -1.20 2.85 0.01 -1.45 -7.23 -1.26 -5.07 120.40 107.05 2ppb s VAL 117 Ca 0.61 -0.78 -0.01 0.00 -1.81 0.00 0.00 61.98 59.99 2ppb s VAL 117 Cb -0.55 -2.13 -0.00 0.00 0.56 0.00 0.00 36.38 34.25 2ppb s VAL 117 CO 0.58 0.57 0.88 0.00 -0.31 0.00 0.00 175.10 176.82 2ppb n ALA 118 N 2.81 -0.03 0.96 1.32 0.00 -1.26 -2.27 120.51 122.03 2ppb n ALA 118 Ca -0.17 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.41 2ppb n ALA 118 Cb 0.52 0.40 0.32 0.00 0.00 0.00 0.00 19.45 20.69 2ppb n ALA 118 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ppb n ASP 119 N -2.98 2.27 -4.62 0.00 9.92 -1.26 -4.91 116.55 114.97 2ppb n ASP 119 Ca 0.00 -1.80 -0.31 0.00 -0.53 0.00 0.00 54.79 52.14 2ppb n ASP 119 Cb 0.01 -0.14 -0.10 0.00 -0.64 0.00 0.00 41.12 40.26 2ppb n ASP 119 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2ppb s VAL 120 N -1.72 3.73 0.02 2.53 1.01 -0.96 -2.60 120.40 122.40 2ppb s VAL 120 Ca 0.34 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.49 2ppb s VAL 120 Cb 0.19 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 2ppb s VAL 120 CO 0.28 0.30 -0.13 -0.70 0.00 0.00 0.00 175.10 174.85 2ppb s GLU 121 N -1.73 0.89 -0.38 2.72 2.12 -0.91 -4.39 118.70 117.03 2ppb s GLU 121 Ca 0.20 -0.63 -0.06 0.00 0.36 0.00 0.00 54.97 54.84 2ppb s GLU 121 Cb -0.11 -0.87 0.07 0.00 0.26 0.00 0.00 34.13 33.47 2ppb s GLU 121 CO 0.11 0.22 0.17 0.42 -0.54 0.00 0.00 175.26 175.64 2ppb s ILE 122 N -0.67 3.75 -2.21 -3.70 1.01 -1.26 -0.44 121.20 117.69 2ppb s ILE 122 Ca 0.02 -1.43 0.29 0.00 0.00 0.00 0.00 60.65 59.53 2ppb s ILE 122 Cb -0.07 -3.27 0.66 0.00 0.01 0.00 0.00 42.46 39.79 2ppb s ILE 122 CO 0.01 -0.38 1.92 0.23 0.00 0.00 0.00 174.94 176.71 2ppb n MET 123 N 4.79 1.30 -2.81 2.79 2.81 -1.16 -4.12 117.12 120.71 2ppb n MET 123 Ca -0.10 -0.54 -0.28 0.00 -1.81 0.00 0.00 57.70 54.97 2ppb n MET 123 Cb 0.43 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.43 2ppb n MET 123 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2ppb n ASN 124 N -0.38 4.84 0.22 7.83 2.85 -1.24 -4.94 115.26 124.44 2ppb n ASN 124 Ca 0.20 -3.70 -0.10 0.00 -0.11 0.00 0.00 54.58 50.88 2ppb n ASN 124 Cb 0.26 -0.60 -0.05 0.00 1.24 0.00 0.00 39.78 40.63 2ppb n ASN 124 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2ppb h PRO 125 N 3.01 -0.58 0.00 1.20 0.11 -1.89 -3.19 132.00 130.66 2ppb h PRO 125 Ca 0.20 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2ppb h PRO 125 Cb 0.55 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2ppb h PRO 125 CO 0.87 -0.39 0.00 -0.25 -0.21 0.00 0.00 178.00 178.02 2ppb n ASP 126 N -3.76 0.00 -4.61 -2.05 8.00 -1.26 -0.14 116.55 112.73 2ppb n ASP 126 Ca -0.07 0.21 -0.46 0.00 0.71 0.00 0.00 54.79 55.17 2ppb n ASP 126 Cb 0.25 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 2ppb n ASP 126 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2ppb n LEU 127 N -1.30 2.01 -4.60 0.64 7.94 -1.21 -4.71 117.00 115.78 2ppb n LEU 127 Ca 0.03 1.16 -0.41 0.00 -1.11 0.00 0.00 56.01 55.68 2ppb n LEU 127 Cb 0.05 -1.29 -0.07 0.00 0.53 0.00 0.00 43.42 42.64 2ppb n LEU 127 CO 0.05 -1.14 0.37 -1.00 -1.11 0.00 0.00 177.39 174.56 2ppb s HIS 128 N -0.52 3.23 -0.17 1.96 3.76 -1.26 -2.08 115.29 120.21 2ppb s HIS 128 Ca 0.66 0.62 -0.18 0.00 -0.15 0.00 0.00 55.06 56.01 2ppb s HIS 128 Cb -0.75 -2.93 -0.15 0.00 1.11 0.00 0.00 32.58 29.86 2ppb s HIS 128 CO 0.55 -0.43 0.22 0.82 -0.85 0.00 0.00 174.74 175.05 2ppb h ILE 129 N 5.51 0.81 -2.28 0.60 1.08 -1.01 -3.48 117.51 118.74 2ppb h ILE 129 Ca -0.27 -1.86 0.18 0.00 -0.39 0.00 0.00 64.86 62.52 2ppb h ILE 129 Cb 1.12 1.78 -0.09 0.00 -3.07 0.00 0.00 36.82 36.56 2ppb h ILE 129 CO 0.79 0.27 0.50 0.00 -0.69 0.00 0.00 178.15 179.03 2ppb s ALA 130 N -2.43 -1.70 -0.31 1.87 0.00 -1.02 -4.76 121.76 113.41 2ppb s ALA 130 Ca -0.21 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 2ppb s ALA 130 Cb 0.03 0.61 0.05 0.00 0.00 0.00 0.00 23.12 23.81 2ppb s ALA 130 CO 0.48 -1.01 0.01 0.95 0.00 0.00 0.00 175.76 176.19 2ppb s THR 131 N -3.22 3.02 -0.16 0.00 -4.23 -1.26 -0.15 115.64 109.64 2ppb s THR 131 Ca 0.12 -1.43 -0.15 0.00 -1.18 0.00 0.00 61.69 59.05 2ppb s THR 131 Cb -0.01 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 2ppb s THR 131 CO 0.01 -0.15 0.34 -0.22 -0.54 0.00 0.00 174.62 174.06 2ppb s LEU 132 N 1.25 4.24 0.00 4.79 2.96 -0.91 -2.93 118.68 128.07 2ppb s LEU 132 Ca -0.04 0.57 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 2ppb s LEU 132 Cb -0.20 -2.45 0.00 0.00 0.50 0.00 0.00 46.19 44.05 2ppb s LEU 132 CO -0.01 0.07 0.00 1.21 -1.32 0.00 0.00 176.35 176.29 2ppb n GLU 133 N 3.67 0.00 -3.88 1.98 2.13 0.12 -3.07 120.64 121.58 2ppb n GLU 133 Ca -0.11 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.60 2ppb n GLU 133 Cb 0.52 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.09 2ppb n GLU 133 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2ppb s GLU 134 N 0.06 0.06 -1.51 5.31 0.41 -1.26 -1.62 118.70 120.16 2ppb s GLU 134 Ca 0.00 -0.07 -0.03 0.00 -0.41 0.00 0.00 54.97 54.45 2ppb s GLU 134 Cb 0.00 0.02 0.01 0.00 -1.78 0.00 0.00 34.13 32.39 2ppb s GLU 134 CO 0.00 -0.01 0.31 0.41 -0.49 0.00 0.00 175.26 175.48 2ppb n GLY 135 N 2.86 -0.51 3.46 -1.39 0.00 -1.26 -4.65 105.19 103.70 2ppb n GLY 135 Ca -0.14 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2ppb n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ppb s GLY 136 N -2.40 1.55 -0.37 -0.02 0.00 -1.26 -4.70 107.32 100.12 2ppb s GLY 136 Ca 0.18 -1.70 -0.09 0.00 0.00 0.00 0.00 44.72 43.10 2ppb s GLY 136 CO 0.22 1.83 0.18 -1.60 0.00 0.00 0.00 173.10 173.73 2ppb s ARG 137 N 3.44 2.73 -0.17 2.90 3.52 -1.26 -1.74 118.95 128.37 2ppb s ARG 137 Ca 0.21 -1.16 -0.01 0.00 -0.13 0.00 0.00 55.73 54.64 2ppb s ARG 137 Cb -0.17 -3.66 0.05 0.00 -1.56 0.00 0.00 34.95 29.60 2ppb s ARG 137 CO 0.13 -0.72 -0.03 -0.48 -0.81 0.00 0.00 175.30 173.38 2ppb s LEU 138 N 1.49 1.53 -0.25 -0.88 2.34 -1.06 -4.98 118.68 116.88 2ppb s LEU 138 Ca 0.01 -0.69 0.00 0.00 0.06 0.00 0.00 54.13 53.51 2ppb s LEU 138 Cb -0.20 -0.84 0.07 0.00 -0.56 0.00 0.00 46.19 44.66 2ppb s LEU 138 CO 0.05 -0.21 -0.01 0.21 -1.06 0.00 0.00 176.35 175.33 2ppb s ASN 139 N 1.68 3.79 0.14 1.48 2.47 -1.26 -1.69 114.94 121.54 2ppb s ASN 139 Ca 0.00 -1.25 0.02 0.00 0.42 0.00 0.00 52.86 52.05 2ppb s ASN 139 Cb -0.16 -1.08 -0.04 0.00 -1.45 0.00 0.00 41.25 38.52 2ppb s ASN 139 CO -0.07 -0.28 -0.05 0.00 -3.72 0.00 0.00 177.10 172.98 2ppb s MET 140 N 1.46 0.98 -0.23 0.43 0.23 -0.35 -1.58 119.30 120.24 2ppb s MET 140 Ca -0.02 -1.43 0.01 0.00 -1.03 0.00 0.00 55.69 53.22 2ppb s MET 140 Cb -0.18 -0.32 0.06 0.00 -1.53 0.00 0.00 34.83 32.85 2ppb s MET 140 CO -0.09 -0.04 -0.07 -1.21 -2.03 0.00 0.00 175.02 171.58 2ppb s GLU 141 N -3.84 1.78 -0.27 3.16 2.02 -0.97 -2.23 118.70 118.35 2ppb s GLU 141 Ca 0.17 -0.98 -0.05 0.00 0.02 0.00 0.00 54.97 54.12 2ppb s GLU 141 Cb 0.05 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.72 2ppb s GLU 141 CO -0.01 -0.55 0.03 0.14 0.02 0.00 0.00 175.26 174.89 2ppb s VAL 142 N 1.37 3.72 0.59 2.63 -7.23 -0.36 -1.37 120.40 119.74 2ppb s VAL 142 Ca -0.05 -0.63 -0.18 0.00 -1.81 0.00 0.00 61.98 59.31 2ppb s VAL 142 Cb -0.18 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 2ppb s VAL 142 CO -0.07 0.20 1.15 -0.60 -0.31 0.00 0.00 175.10 175.48 2ppb s ARG 143 N 1.48 3.10 -0.06 4.82 3.52 0.69 -0.92 118.95 131.59 2ppb s ARG 143 Ca 0.03 1.63 -0.02 0.00 -0.13 0.00 0.00 55.73 57.24 2ppb s ARG 143 Cb -0.16 -1.97 0.04 0.00 -1.56 0.00 0.00 34.95 31.30 2ppb s ARG 143 CO 0.00 -1.05 0.12 0.08 -0.81 0.00 0.00 175.30 173.64 2ppb s VAL 144 N -1.84 -0.08 0.22 7.11 1.01 0.13 -2.74 120.40 124.21 2ppb s VAL 144 Ca 0.73 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.96 2ppb s VAL 144 Cb -0.25 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 2ppb s VAL 144 CO 0.32 0.09 -0.00 -1.81 0.00 0.00 0.00 175.10 173.70 2ppb s ASP 145 N 1.32 1.69 -0.22 3.32 1.11 -1.14 -1.19 116.67 121.56 2ppb s ASP 145 Ca -0.07 -1.21 -0.07 0.00 0.18 0.00 0.00 52.55 51.37 2ppb s ASP 145 Cb -0.12 0.04 -0.03 0.00 1.07 0.00 0.00 42.92 43.87 2ppb s ASP 145 CO -0.05 -0.53 0.06 0.00 1.18 0.00 0.00 175.17 175.83 2ppb s ARG 146 N -3.88 3.75 0.00 8.23 1.70 -1.14 -2.83 118.95 124.79 2ppb s ARG 146 Ca 0.28 -0.44 0.00 0.00 -0.47 0.00 0.00 55.73 55.09 2ppb s ARG 146 Cb 0.06 -3.27 0.00 0.00 -0.57 0.00 0.00 34.95 31.17 2ppb s ARG 146 CO 0.08 -0.03 0.00 0.41 -1.08 0.00 0.00 175.30 174.68 2ppb n GLY 147 N 4.45 3.69 3.03 3.88 0.00 -1.15 -4.95 105.19 114.15 2ppb n GLY 147 Ca -0.16 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 2ppb n GLY 147 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ppb s VAL 148 N -2.00 0.04 0.00 1.61 -7.23 -1.26 -1.08 120.40 110.48 2ppb s VAL 148 Ca 0.00 -0.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 2ppb s VAL 148 Cb 0.00 -0.27 0.00 0.00 0.56 0.00 0.00 36.38 36.67 2ppb s VAL 148 CO 0.00 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 2ppb n GLY 149 N 2.39 0.11 3.36 2.32 0.00 -1.02 -4.77 105.19 107.57 2ppb n GLY 149 Ca -0.17 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 2ppb n GLY 149 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ppb s TYR 150 N 0.00 2.83 -0.25 1.61 5.04 -1.26 -2.49 117.35 122.84 2ppb s TYR 150 Ca 0.00 -0.69 0.01 0.00 -2.44 0.00 0.00 57.07 53.95 2ppb s TYR 150 Cb 0.00 -1.88 0.07 0.00 0.35 0.00 0.00 41.96 40.50 2ppb s TYR 150 CO 0.00 -0.26 -0.03 0.08 -1.34 0.00 0.00 175.55 174.00 2ppb s VAL 151 N 0.50 1.52 0.48 3.14 1.01 -1.04 -4.99 120.40 121.02 2ppb s VAL 151 Ca -0.08 -1.31 -0.22 0.00 0.00 0.00 0.00 61.98 60.37 2ppb s VAL 151 Cb -0.16 -1.84 -0.09 0.00 0.00 0.00 0.00 36.38 34.29 2ppb s VAL 151 CO 0.04 -0.18 0.87 -2.65 0.00 0.00 0.00 175.10 173.18 2ppb n PRO 152 N 4.66 1.04 0.31 2.72 -0.02 -1.26 -1.01 135.00 141.44 2ppb n PRO 152 Ca -0.10 0.38 0.20 0.00 -2.02 0.00 0.00 63.50 61.96 2ppb n PRO 152 Cb 0.44 -1.95 1.06 0.00 -0.02 0.00 0.00 33.50 33.02 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 1.04 1.05 0.11 3.55 0.00 -1.91 -0.74 119.26 122.36 2ppb h ALA 153 Ca -0.45 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.20 2ppb h ALA 153 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2ppb h ALA 153 CO 0.53 -0.05 -1.19 0.93 0.00 0.00 0.00 179.25 179.47 2ppb h GLU 154 N 0.00 0.26 -0.14 0.00 5.08 -1.93 -2.72 114.58 115.13 2ppb h GLU 154 Ca 0.00 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 57.88 2ppb h GLU 154 Cb 0.11 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2ppb h GLU 154 CO 0.00 1.19 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.86 2ppb h LYS 155 N 0.08 0.33 0.00 2.33 3.64 -1.46 -3.37 116.57 118.12 2ppb h LYS 155 Ca -0.12 -0.16 -0.16 0.00 -1.27 0.00 0.00 60.65 58.94 2ppb h LYS 155 Cb 1.91 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.71 2ppb h LYS 155 CO 0.19 0.70 -0.87 1.12 -2.27 0.00 0.00 179.45 178.32 2ppb h HIS 156 N -0.04 0.00 -5.53 1.91 2.07 -1.70 -3.50 115.15 108.37 2ppb h HIS 156 Ca 0.03 -0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.48 2ppb h HIS 156 Cb 0.62 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.61 2ppb h HIS 156 CO 0.08 1.34 -0.28 0.41 -3.07 0.00 0.00 177.93 176.41 2ppb n GLY 157 N 1.49 -1.21 3.81 6.13 0.00 -1.03 -4.97 105.19 109.41 2ppb n GLY 157 Ca -0.25 0.71 -0.35 0.00 0.00 0.00 0.00 46.02 46.13 2ppb n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ppb s ILE 158 N -2.84 4.35 -0.42 -0.61 -1.09 -1.26 -5.03 121.20 114.29 2ppb s ILE 158 Ca 0.08 1.58 0.07 0.00 -2.23 0.00 0.00 60.65 60.14 2ppb s ILE 158 Cb -0.02 -3.78 0.22 0.00 -1.58 0.00 0.00 42.46 37.31 2ppb s ILE 158 CO 0.77 -0.10 0.55 2.29 -1.23 0.00 0.00 174.94 177.22 2ppb n LYS 159 N -0.08 0.57 -0.03 2.79 0.00 -1.26 -4.49 118.16 115.66 2ppb n LYS 159 Ca 0.04 -2.88 -0.13 0.00 -0.00 0.00 0.00 58.31 55.34 2ppb n LYS 159 Cb 0.52 -1.39 -0.10 0.00 -0.00 0.00 0.00 35.03 34.07 2ppb n LYS 159 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2ppb h ASP 160 N 4.50 0.10 -4.10 -5.58 3.45 -1.95 -3.44 116.42 109.40 2ppb h ASP 160 Ca 0.09 -0.56 -0.69 0.00 0.43 0.00 0.00 57.03 56.30 2ppb h ASP 160 Cb 0.93 -0.03 -0.24 0.00 -0.56 0.00 0.00 39.33 39.43 2ppb h ASP 160 CO 0.38 0.64 -0.81 -0.60 -1.57 0.00 0.00 179.24 177.28 2ppb s ARG 161 N -3.98 2.16 0.34 3.56 6.06 -1.26 -5.04 118.95 120.78 2ppb s ARG 161 Ca -0.16 -0.92 0.06 0.00 -2.50 0.00 0.00 55.73 52.21 2ppb s ARG 161 Cb 0.02 -2.20 0.72 0.00 0.06 0.00 0.00 34.95 33.55 2ppb s ARG 161 CO 0.70 0.56 1.90 -0.84 -2.50 0.00 0.00 175.30 175.12 2ppb h ILE 162 N 4.14 0.94 -0.01 4.11 -0.00 -1.98 -1.82 117.51 122.88 2ppb h ILE 162 Ca -0.47 -0.28 0.00 0.00 -0.00 0.00 0.00 64.86 64.12 2ppb h ILE 162 Cb 1.15 0.07 0.00 0.00 -0.00 0.00 0.00 36.82 38.04 2ppb h ILE 162 CO 0.48 0.15 -0.21 0.59 -0.00 0.00 0.00 178.15 179.16 2ppb n ASN 163 N -4.53 1.02 -4.67 2.16 4.13 -1.26 -4.94 115.26 107.18 2ppb n ASN 163 Ca 0.15 -0.93 -0.31 0.00 1.68 0.00 0.00 54.58 55.17 2ppb n ASN 163 Cb 0.34 0.10 0.17 0.00 -1.54 0.00 0.00 39.78 38.84 2ppb n ASN 163 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ppb s ALA 164 N -2.43 1.38 -0.10 5.41 0.00 -0.69 -4.63 121.76 120.70 2ppb s ALA 164 Ca 0.27 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.72 2ppb s ALA 164 Cb 0.20 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.92 2ppb s ALA 164 CO 0.49 -2.75 -0.13 0.96 0.00 0.00 0.00 175.76 174.33 2ppb s ILE 165 N -2.67 1.32 0.74 0.00 -4.36 -0.18 -4.98 121.20 111.07 2ppb s ILE 165 Ca 0.66 -0.53 -0.13 0.00 -0.26 0.00 0.00 60.65 60.39 2ppb s ILE 165 Cb -0.22 -1.23 0.04 0.00 1.25 0.00 0.00 42.46 42.30 2ppb s ILE 165 CO 0.58 0.41 1.14 -2.84 0.24 0.00 0.00 174.94 174.47 2ppb s PRO 166 N 1.08 2.26 0.07 0.37 0.02 -1.26 -2.09 135.00 135.45 2ppb s PRO 166 Ca -0.06 1.46 0.06 0.00 0.02 0.00 0.00 61.00 62.49 2ppb s PRO 166 Cb -0.15 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.47 2ppb s PRO 166 CO -0.02 -1.69 -0.16 0.14 -0.33 0.00 0.00 177.00 174.94 2ppb s VAL 167 N -2.41 1.30 0.25 3.83 -7.23 -0.80 -4.88 120.40 110.46 2ppb s VAL 167 Ca 0.68 -1.30 -0.31 0.00 -1.81 0.00 0.00 61.98 59.24 2ppb s VAL 167 Cb -0.22 -1.21 -0.11 0.00 0.56 0.00 0.00 36.38 35.40 2ppb s VAL 167 CO 0.48 -0.11 1.60 -1.81 -0.31 0.00 0.00 175.10 174.95 2ppb s ASP 168 N -1.63 6.43 -0.12 4.85 1.01 -1.26 -4.30 116.67 121.65 2ppb s ASP 168 Ca 0.01 2.86 -0.24 0.00 0.71 0.00 0.00 52.55 55.90 2ppb s ASP 168 Cb -0.09 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.19 2ppb s ASP 168 CO 0.03 -0.89 0.76 0.00 0.21 0.00 0.00 175.17 175.27 2ppb s ALA 169 N 0.39 3.43 -0.60 5.23 0.00 -0.18 -4.78 121.76 125.26 2ppb s ALA 169 Ca 0.66 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.72 2ppb s ALA 169 Cb -0.47 -3.09 0.15 0.00 0.00 0.00 0.00 23.12 19.71 2ppb s ALA 169 CO 0.42 -0.40 0.37 0.14 0.00 0.00 0.00 175.76 176.29 2ppb s VAL 170 N 1.53 2.57 0.02 0.00 -7.23 -1.26 -2.49 120.40 113.53 2ppb s VAL 170 Ca 0.37 -3.70 0.01 0.00 -1.81 0.00 0.00 61.98 56.85 2ppb s VAL 170 Cb -0.17 -2.74 -0.26 0.00 0.56 0.00 0.00 36.38 33.77 2ppb s VAL 170 CO 0.15 -0.92 0.92 -0.26 -0.31 0.00 0.00 175.10 174.68 2ppb h PHE 171 N 5.96 0.32 -3.60 2.82 0.04 -1.77 -3.36 116.94 117.34 2ppb h PHE 171 Ca 0.04 -0.23 -0.51 0.00 2.80 0.00 0.00 57.97 60.07 2ppb h PHE 171 Cb 0.83 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.94 2ppb h PHE 171 CO 0.59 1.26 0.25 -1.12 -0.60 0.00 0.00 178.31 178.69 2ppb s SER 172 N -6.82 7.48 0.00 2.17 0.01 -1.26 -3.00 113.70 112.28 2ppb s SER 172 Ca -0.07 1.75 0.24 0.00 1.31 0.00 0.00 55.95 59.18 2ppb s SER 172 Cb 0.08 -2.54 1.07 0.00 0.21 0.00 0.00 66.02 64.83 2ppb s SER 172 CO 0.84 0.17 1.76 -2.65 0.41 0.00 0.00 173.24 173.77 2ppb n PRO 173 N 1.69 0.12 -3.52 12.44 -0.02 -1.26 -4.65 135.00 139.81 2ppb n PRO 173 Ca -0.04 0.09 -0.41 0.00 -2.02 0.00 0.00 63.50 61.12 2ppb n PRO 173 Cb 0.48 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.36 2ppb n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ppb s VAL 174 N -2.85 5.19 -0.07 -1.45 1.01 -1.26 0.34 120.40 121.30 2ppb s VAL 174 Ca 0.15 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 2ppb s VAL 174 Cb 0.16 -3.76 -0.22 0.00 0.00 0.00 0.00 36.38 32.55 2ppb s VAL 174 CO 0.41 -0.14 1.06 0.03 0.00 0.00 0.00 175.10 176.46 2ppb h ARG 175 N 8.53 -0.01 -3.49 2.72 2.47 -1.55 -3.47 114.38 119.58 2ppb h ARG 175 Ca -0.29 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.28 2ppb h ARG 175 Cb 1.14 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.25 2ppb h ARG 175 CO 0.67 0.65 -0.50 -0.98 0.56 0.00 0.00 179.97 180.37 2ppb s ARG 176 N -3.47 0.45 0.24 0.04 1.70 -1.24 -5.04 118.95 111.63 2ppb s ARG 176 Ca -0.17 -0.32 0.12 0.00 -0.47 0.00 0.00 55.73 54.89 2ppb s ARG 176 Cb -0.00 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.52 2ppb s ARG 176 CO 0.66 -0.10 -0.22 0.14 -1.08 0.00 0.00 175.30 174.70 2ppb s VAL 177 N -1.21 2.42 -0.28 4.99 -7.23 -1.26 -1.12 120.40 116.71 2ppb s VAL 177 Ca -0.13 -2.25 -0.18 0.00 -1.81 0.00 0.00 61.98 57.61 2ppb s VAL 177 Cb -0.07 -2.23 0.10 0.00 0.56 0.00 0.00 36.38 34.75 2ppb s VAL 177 CO 0.01 -0.29 0.80 0.00 -0.31 0.00 0.00 175.10 175.32 2ppb s ALA 178 N -2.17 -2.00 -0.01 1.32 0.00 -0.05 -4.97 121.76 113.89 2ppb s ALA 178 Ca 0.26 2.28 0.01 0.00 0.00 0.00 0.00 51.96 54.52 2ppb s ALA 178 Cb -0.06 -1.49 -0.00 0.00 0.00 0.00 0.00 23.12 21.57 2ppb s ALA 178 CO 0.13 -0.36 -0.04 -0.59 0.00 0.00 0.00 175.76 174.90 2ppb s PHE 179 N 1.33 0.39 0.03 0.00 -0.12 -1.26 0.23 117.98 118.58 2ppb s PHE 179 Ca -0.08 -0.07 0.08 0.00 -0.05 0.00 0.00 56.93 56.81 2ppb s PHE 179 Cb -0.05 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 42.06 2ppb s PHE 179 CO -0.15 -0.02 -0.25 -0.65 -0.05 0.00 0.00 175.22 174.10 2ppb s GLN 180 N -0.03 1.73 -0.48 1.99 1.11 0.37 -4.97 119.66 119.38 2ppb s GLN 180 Ca 0.01 -1.02 0.04 0.00 0.01 0.00 0.00 55.36 54.40 2ppb s GLN 180 Cb -0.02 -1.85 0.12 0.00 -1.01 0.00 0.00 33.01 30.25 2ppb s GLN 180 CO -0.00 0.48 0.22 0.08 0.01 0.00 0.00 175.29 176.08 2ppb s VAL 181 N -0.75 2.47 -0.04 1.09 1.01 -1.25 -1.82 120.40 121.10 2ppb s VAL 181 Ca 0.10 -3.09 -0.03 0.00 0.00 0.00 0.00 61.98 58.96 2ppb s VAL 181 Cb -0.10 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2ppb s VAL 181 CO 0.01 -0.76 0.12 -1.83 0.00 0.00 0.00 175.10 172.64 2ppb s GLU 182 N -0.03 3.26 0.58 2.72 -1.05 -1.03 -4.81 118.70 118.35 2ppb s GLU 182 Ca 0.16 -0.34 -0.20 0.00 -0.15 0.00 0.00 54.97 54.43 2ppb s GLU 182 Cb -0.25 -3.00 -0.04 0.00 -0.44 0.00 0.00 34.13 30.40 2ppb s GLU 182 CO -0.02 0.69 1.28 -0.25 0.95 0.00 0.00 175.26 177.91 2ppb n ASP 183 N 1.38 2.20 -4.11 0.83 10.43 -1.26 -2.45 116.55 123.57 2ppb n ASP 183 Ca -0.14 0.91 -0.15 0.00 2.57 0.00 0.00 54.79 57.98 2ppb n ASP 183 Cb 0.53 -1.54 -0.11 0.00 1.84 0.00 0.00 41.12 41.84 2ppb n ASP 183 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2ppb s THR 184 N -1.35 0.77 -0.21 -3.53 -1.32 -1.23 -4.88 115.64 103.89 2ppb s THR 184 Ca 0.76 -1.26 -0.04 0.00 -1.21 0.00 0.00 61.69 59.94 2ppb s THR 184 Cb -0.41 -0.89 -0.01 0.00 -1.51 0.00 0.00 72.50 69.67 2ppb s THR 184 CO 0.46 -0.38 -0.04 -0.60 -2.21 0.00 0.00 174.62 171.85 2ppb s ARG 185 N -1.90 3.44 -0.28 7.08 3.52 -1.26 -4.22 118.95 125.32 2ppb s ARG 185 Ca -0.05 -0.60 -0.06 0.00 -0.13 0.00 0.00 55.73 54.89 2ppb s ARG 185 Cb -0.08 -3.01 0.01 0.00 -1.56 0.00 0.00 34.95 30.30 2ppb s ARG 185 CO 0.01 -0.12 0.06 -1.17 -0.81 0.00 0.00 175.30 173.26 2ppb s LEU 186 N 1.30 3.69 0.00 -0.88 2.96 -1.26 -5.03 118.68 119.46 2ppb s LEU 186 Ca 0.04 -0.66 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 2ppb s LEU 186 Cb -0.14 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.69 2ppb s LEU 186 CO -0.01 -0.16 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 2ppb n GLY 187 N 4.85 0.00 0.09 7.98 0.00 -1.26 -2.39 105.19 114.46 2ppb n GLY 187 Ca -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 2ppb n GLY 187 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2ppb h GLN 188 N 0.00 -0.21 -5.18 1.61 4.20 -2.03 -3.45 115.11 110.06 2ppb h GLN 188 Ca 0.00 0.01 -0.65 0.00 0.06 0.00 0.00 58.65 58.08 2ppb h GLN 188 Cb 0.00 0.05 -0.24 0.00 0.30 0.00 0.00 27.48 27.58 2ppb h GLN 188 CO 0.00 -0.14 -0.70 -0.98 -0.67 0.00 0.00 178.83 176.35 2ppb s ARG 189 N -2.47 3.53 0.29 1.46 1.70 -1.01 -5.01 118.95 117.45 2ppb s ARG 189 Ca -0.03 -0.58 0.14 0.00 -0.47 0.00 0.00 55.73 54.79 2ppb s ARG 189 Cb 0.00 -2.93 0.38 0.00 -0.57 0.00 0.00 34.95 31.84 2ppb s ARG 189 CO 0.09 0.07 1.60 1.79 -1.08 0.00 0.00 175.30 177.77 2ppb h THR 190 N 5.40 1.20 -1.01 4.99 1.35 -1.88 -3.36 112.91 119.60 2ppb h THR 190 Ca -0.34 -2.05 -0.36 0.00 -0.55 0.00 0.00 66.41 63.10 2ppb h THR 190 Cb 1.18 2.17 -0.05 0.00 -1.73 0.00 0.00 68.15 69.73 2ppb h THR 190 CO 0.60 0.55 0.92 1.51 -0.25 0.00 0.00 175.52 178.85 2ppb s ASP 191 N -6.63 5.32 0.05 5.36 -4.77 -1.26 -4.59 116.67 110.15 2ppb s ASP 191 Ca 0.00 -0.58 -0.00 0.00 -3.30 0.00 0.00 52.55 48.67 2ppb s ASP 191 Cb 0.11 -2.56 -0.04 0.00 -1.09 0.00 0.00 42.92 39.35 2ppb s ASP 191 CO 0.74 -2.54 -0.03 -0.76 0.70 0.00 0.00 175.17 173.27 2ppb s LEU 192 N 9.31 2.44 -0.07 2.11 1.43 -1.26 -4.73 118.68 127.91 2ppb s LEU 192 Ca 0.66 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2ppb s LEU 192 Cb -0.07 0.14 -0.03 0.00 0.03 0.00 0.00 46.19 46.27 2ppb s LEU 192 CO 0.02 -0.52 -0.09 -1.81 0.23 0.00 0.00 176.35 174.19 2ppb s ASP 193 N -2.61 4.48 -0.19 2.29 1.11 -1.02 -3.56 116.67 117.17 2ppb s ASP 193 Ca 0.02 -0.08 0.00 0.00 0.18 0.00 0.00 52.55 52.68 2ppb s ASP 193 Cb 0.04 -1.13 0.05 0.00 1.07 0.00 0.00 42.92 42.95 2ppb s ASP 193 CO -0.07 0.34 -0.06 -0.75 1.18 0.00 0.00 175.17 175.81 2ppb s LYS 194 N -0.70 1.60 -0.24 8.23 2.20 -1.02 -1.81 119.74 128.00 2ppb s LYS 194 Ca 0.11 -0.70 -0.07 0.00 -0.36 0.00 0.00 55.97 54.94 2ppb s LYS 194 Cb -0.11 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.93 2ppb s LYS 194 CO 0.01 -0.47 0.07 -1.17 -0.36 0.00 0.00 175.35 173.43 2ppb s LEU 195 N 1.53 3.52 -0.16 5.43 2.96 -0.99 -2.46 118.68 128.51 2ppb s LEU 195 Ca -0.01 -0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 53.75 2ppb s LEU 195 Cb -0.16 -1.93 0.04 0.00 0.50 0.00 0.00 46.19 44.63 2ppb s LEU 195 CO -0.08 0.00 -0.08 0.42 -1.32 0.00 0.00 176.35 175.29 2ppb s THR 196 N 1.40 1.30 -0.16 3.68 -4.23 -0.76 -0.58 115.64 116.29 2ppb s THR 196 Ca 0.05 -0.66 -0.00 0.00 -1.18 0.00 0.00 61.69 59.90 2ppb s THR 196 Cb -0.15 -1.38 -0.00 0.00 1.34 0.00 0.00 72.50 72.31 2ppb s THR 196 CO 0.04 0.23 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.99 2ppb s LEU 197 N 1.57 2.55 -0.18 4.79 2.96 -0.24 -0.48 118.68 129.65 2ppb s LEU 197 Ca 0.02 -0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 53.33 2ppb s LEU 197 Cb -0.15 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 2ppb s LEU 197 CO -0.08 0.08 0.33 -0.13 -1.32 0.00 0.00 176.35 175.22 2ppb s ARG 198 N 0.85 4.22 -0.05 1.98 0.52 0.63 -1.75 118.95 125.35 2ppb s ARG 198 Ca -0.04 0.12 0.06 0.00 -0.52 0.00 0.00 55.73 55.35 2ppb s ARG 198 Cb -0.15 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 31.84 2ppb s ARG 198 CO -0.00 0.12 -0.23 0.42 0.02 0.00 0.00 175.30 175.63 2ppb s ILE 199 N 0.82 1.91 -0.11 1.52 1.01 -1.01 -0.87 121.20 124.47 2ppb s ILE 199 Ca 0.17 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2ppb s ILE 199 Cb -0.14 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 2ppb s ILE 199 CO 0.06 0.53 -0.11 0.26 0.00 0.00 0.00 174.94 175.68 2ppb s TRP 200 N -0.12 2.84 0.03 3.97 0.51 -0.28 -2.35 118.94 123.54 2ppb s TRP 200 Ca -0.04 -0.38 0.05 0.00 -2.12 0.00 0.00 56.10 53.61 2ppb s TRP 200 Cb -0.13 -1.79 -0.02 0.00 -0.81 0.00 0.00 33.47 30.72 2ppb s TRP 200 CO 0.03 -0.01 -0.15 0.99 -0.51 0.00 0.00 176.95 177.30 2ppb s THR 201 N -0.07 1.22 -0.06 2.01 2.01 0.20 -1.56 115.64 119.40 2ppb s THR 201 Ca -0.01 -0.95 0.28 0.00 0.31 0.00 0.00 61.69 61.32 2ppb s THR 201 Cb -0.14 -1.08 0.29 0.00 0.01 0.00 0.00 72.50 71.59 2ppb s THR 201 CO 0.03 0.11 1.86 -2.24 -0.69 0.00 0.00 174.62 173.70 2ppb h ASP 202 N 5.11 0.00 0.00 3.53 2.03 -0.41 -3.36 116.42 123.32 2ppb h ASP 202 Ca -0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 2ppb h ASP 202 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 2ppb h ASP 202 CO 0.45 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.27 2ppb n GLY 203 N -0.76 1.26 0.35 7.15 0.00 -1.26 -4.98 105.19 106.96 2ppb n GLY 203 Ca -0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.62 2ppb n GLY 203 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ppb h SER 204 N 2.00 -1.22 -1.56 1.61 0.87 -1.89 -3.42 113.55 109.94 2ppb h SER 204 Ca 0.00 0.23 -0.61 0.00 -1.23 0.00 0.00 61.79 60.18 2ppb h SER 204 Cb 0.00 0.59 -0.12 0.00 -0.44 0.00 0.00 62.40 62.44 2ppb h SER 204 CO 0.00 -0.31 -0.56 0.68 -0.53 0.00 0.00 176.83 176.11 2ppb s VAL 205 N -5.97 2.05 0.17 2.23 -7.23 -1.26 -5.14 120.40 105.25 2ppb s VAL 205 Ca -0.14 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 2ppb s VAL 205 Cb 0.15 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 2ppb s VAL 205 CO 0.69 0.00 0.23 0.28 -0.31 0.00 0.00 175.10 175.98 2ppb s THR 206 N -2.69 4.94 0.23 5.32 -1.32 -1.26 -4.74 115.64 116.13 2ppb s THR 206 Ca 0.35 -0.91 -0.06 0.00 -1.21 0.00 0.00 61.69 59.87 2ppb s THR 206 Cb 0.08 -3.56 0.19 0.00 -1.51 0.00 0.00 72.50 67.70 2ppb s THR 206 CO 0.19 -0.13 1.75 -0.65 -2.21 0.00 0.00 174.62 173.56 2ppb h PRO 207 N 2.12 0.47 -0.12 7.08 0.11 -1.84 0.41 132.00 140.24 2ppb h PRO 207 Ca -0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2ppb h PRO 207 Cb 1.20 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2ppb h PRO 207 CO 0.65 0.31 0.06 1.25 -0.21 0.00 0.00 178.00 180.06 2ppb h LEU 208 N 0.48 0.14 -0.42 2.35 5.85 -1.94 -1.34 115.31 120.44 2ppb h LEU 208 Ca 0.37 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 59.08 2ppb h LEU 208 Cb 0.50 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 2ppb h LEU 208 CO -0.34 0.19 0.06 -0.33 -0.34 0.00 0.00 178.44 177.67 2ppb h GLU 209 N 0.09 0.17 -0.07 1.25 3.07 -1.75 -1.93 114.58 115.42 2ppb h GLU 209 Ca 0.04 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.93 2ppb h GLU 209 Cb 0.08 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.90 2ppb h GLU 209 CO -0.01 0.12 -0.19 0.00 -1.40 0.00 0.00 179.01 177.53 2ppb h ALA 210 N 1.33 -0.18 -0.47 3.43 0.00 -0.68 -1.19 119.26 121.50 2ppb h ALA 210 Ca 0.20 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.23 2ppb h ALA 210 Cb 0.26 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 2ppb h ALA 210 CO -0.29 -0.66 -0.06 1.25 0.00 0.00 0.00 179.25 179.49 2ppb h LEU 211 N -0.27 -0.32 -0.24 0.00 5.85 -0.88 0.48 115.31 119.94 2ppb h LEU 211 Ca 0.08 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.95 2ppb h LEU 211 Cb 0.38 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 2ppb h LEU 211 CO -0.22 -0.11 0.06 0.78 -0.34 0.00 0.00 178.44 178.61 2ppb h ASN 212 N 0.06 0.05 -0.74 1.25 -0.26 -0.97 -0.22 115.58 114.75 2ppb h ASN 212 Ca 0.23 0.03 0.04 0.00 -0.56 0.00 0.00 56.30 56.04 2ppb h ASN 212 Cb 0.36 0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 37.60 2ppb h ASN 212 CO -0.44 0.06 0.46 1.56 -1.06 0.00 0.00 177.43 178.01 2ppb h GLN 213 N 0.16 0.86 0.67 0.81 7.50 -0.46 -2.42 115.11 122.24 2ppb h GLN 213 Ca 0.11 -0.05 -0.03 0.00 0.50 0.00 0.00 58.65 59.18 2ppb h GLN 213 Cb 0.09 -0.19 -0.00 0.00 0.05 0.00 0.00 27.48 27.43 2ppb h GLN 213 CO -0.13 0.57 -0.39 0.00 -1.50 0.00 0.00 178.83 177.38 2ppb h ALA 214 N 1.33 -1.01 -0.25 3.87 0.00 -0.20 -1.08 119.26 121.91 2ppb h ALA 214 Ca 0.30 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2ppb h ALA 214 Cb 0.06 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2ppb h ALA 214 CO -0.13 -1.08 0.18 -0.39 0.00 0.00 0.00 179.25 177.83 2ppb h VAL 215 N -0.99 0.87 -0.15 0.00 -1.51 -0.99 -1.80 116.25 111.68 2ppb h VAL 215 Ca -0.09 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.32 2ppb h VAL 215 Cb 0.79 0.88 -0.00 0.00 -2.13 0.00 0.00 31.29 30.83 2ppb h VAL 215 CO 0.10 0.00 -0.17 -0.08 -1.23 0.00 0.00 177.57 176.19 2ppb h GLU 216 N 0.00 0.38 0.00 5.19 4.57 -1.07 -0.79 114.58 122.86 2ppb h GLU 216 Ca 0.12 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2ppb h GLU 216 Cb 0.48 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2ppb h GLU 216 CO -0.00 0.77 -0.01 0.82 -1.18 0.00 0.00 179.01 179.40 2ppb h ILE 217 N 0.01 0.99 -0.01 2.32 2.04 -0.39 0.11 117.51 122.57 2ppb h ILE 217 Ca 0.02 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 2ppb h ILE 217 Cb 0.71 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2ppb h ILE 217 CO 0.04 0.01 -0.24 0.25 0.00 0.00 0.00 178.15 178.22 2ppb h LEU 218 N 0.00 0.23 -0.27 1.44 5.85 -1.25 -2.87 115.31 118.44 2ppb h LEU 218 Ca -0.00 -0.75 -0.01 0.00 0.84 0.00 0.00 57.88 57.96 2ppb h LEU 218 Cb 0.02 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2ppb h LEU 218 CO 0.00 0.94 0.13 -0.09 -0.34 0.00 0.00 178.44 179.08 2ppb h ARG 219 N -0.46 0.39 -0.68 1.25 2.43 -0.69 -1.41 114.38 115.20 2ppb h ARG 219 Ca -0.03 -0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.20 2ppb h ARG 219 Cb 0.97 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 2ppb h ARG 219 CO 0.05 0.38 0.45 1.49 -1.51 0.00 0.00 179.97 180.84 2ppb h GLU 220 N 0.30 0.44 0.00 0.20 4.57 -0.90 0.13 114.58 119.31 2ppb h GLU 220 Ca 0.09 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.12 2ppb h GLU 220 Cb 0.13 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 2ppb h GLU 220 CO -0.01 0.29 -0.61 0.45 -1.18 0.00 0.00 179.01 177.94 2ppb h HIS 221 N 0.45 0.00 0.00 0.92 3.86 -1.20 -3.11 115.15 116.07 2ppb h HIS 221 Ca 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 2ppb h HIS 221 Cb 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2ppb h HIS 221 CO -0.00 0.61 0.00 -0.07 0.86 0.00 0.00 177.93 179.33 2ppb h LEU 222 N 0.00 0.00 0.00 2.43 3.38 0.32 -2.84 115.31 118.61 2ppb h LEU 222 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2ppb h LEU 222 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 2ppb h LEU 222 CO 0.08 0.00 -0.77 0.74 0.09 0.00 0.00 178.44 178.58 2ppb h THR 223 N 0.00 0.08 0.00 0.22 2.02 -1.35 -3.33 112.91 110.54 2ppb h THR 223 Ca 0.00 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.05 2ppb h THR 223 Cb 0.62 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 2ppb h THR 223 CO 0.00 0.04 0.00 -1.22 0.37 0.00 0.00 175.52 174.71 2ppb n TYR 224 N -2.82 0.00 -0.13 3.16 4.01 -1.07 -2.10 117.16 118.21 2ppb n TYR 224 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 2ppb n TYR 224 Cb 0.58 -0.07 0.25 0.00 -0.31 0.00 0.00 39.34 39.79 2ppb n TYR 224 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2ppb n PHE 225 N -1.07 1.25 0.01 -0.72 0.99 -1.25 -4.66 117.46 112.01 2ppb n PHE 225 Ca 0.08 -0.44 -0.01 0.00 -0.00 0.00 0.00 57.45 57.07 2ppb n PHE 225 Cb 0.05 -0.33 -0.00 0.00 -1.00 0.00 0.00 39.48 38.19 2ppb n PHE 225 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2ppb h SER 226 N 2.52 -0.05 -3.59 4.37 4.64 -1.73 -3.44 113.55 116.27 2ppb h SER 226 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 2ppb h SER 226 Cb 1.36 0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 63.33 2ppb h SER 226 CO 0.28 0.05 0.25 0.20 -0.87 0.00 0.00 176.83 176.74 2ppb s ASN 227 N -3.28 6.41 0.85 4.97 0.01 -1.26 -5.05 114.94 117.59 2ppb s ASN 227 Ca -0.01 -0.06 -0.11 0.00 -0.71 0.00 0.00 52.86 51.98 2ppb s ASN 227 Cb 0.00 -2.36 0.10 0.00 0.41 0.00 0.00 41.25 39.41 2ppb s ASN 227 CO 0.02 -0.78 1.09 -2.84 -1.51 0.00 0.00 177.10 173.09 2ppb s PRO 228 N 3.00 1.59 0.00 -0.60 0.02 -1.26 -5.20 135.00 132.55 2ppb s PRO 228 Ca 0.27 0.98 0.00 0.00 0.02 0.00 0.00 61.00 62.27 2ppb s PRO 228 Cb -0.13 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.55 2ppb s PRO 228 CO 0.19 -2.06 0.00 1.04 -0.33 0.00 0.00 177.00 175.84