#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppb s VAL 17 N 0.00 4.60 -1.40 1.39 1.01 -0.35 -3.84 120.40 121.82 1ppb s VAL 17 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1ppb s VAL 17 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1ppb s VAL 17 CO 0.00 0.51 0.00 -0.62 0.00 0.00 0.00 175.10 174.99 1ppb n GLU 18 N 3.16 -1.12 0.00 2.72 -0.58 -1.26 -1.78 120.64 121.78 1ppb n GLU 18 Ca -0.17 0.85 0.00 0.00 -0.42 0.00 0.00 57.16 57.41 1ppb n GLU 18 Cb 0.53 -5.09 0.00 0.00 -0.57 0.00 0.00 31.44 26.31 1ppb n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ppb n GLY 19 N -1.08 2.20 3.58 0.62 0.00 -1.26 -4.73 105.19 104.52 1ppb n GLY 19 Ca -0.16 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 43.75 1ppb n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ppb s SER 20 N -0.89 0.22 0.28 1.61 1.04 -0.98 -4.94 113.70 110.05 1ppb s SER 20 Ca 0.00 -1.12 -0.30 0.00 0.48 0.00 0.00 55.95 55.01 1ppb s SER 20 Cb 0.00 0.64 -0.11 0.00 0.10 0.00 0.00 66.02 66.65 1ppb s SER 20 CO 0.00 -1.25 1.55 -1.81 0.98 0.00 0.00 173.24 172.71 1ppb s ASP 21 N -3.09 6.44 0.41 7.02 1.11 -1.26 -0.49 116.67 126.80 1ppb s ASP 21 Ca 0.24 2.88 -0.24 0.00 0.18 0.00 0.00 52.55 55.62 1ppb s ASP 21 Cb -0.01 -2.63 -0.09 0.00 1.07 0.00 0.00 42.92 41.26 1ppb s ASP 21 CO 0.13 -0.86 1.06 0.00 1.18 0.00 0.00 175.17 176.67 1ppb s ALA 22 N -0.04 3.07 0.63 5.23 0.00 -0.03 -4.77 121.76 125.86 1ppb s ALA 22 Ca 0.62 0.71 -0.16 0.00 0.00 0.00 0.00 51.96 53.14 1ppb s ALA 22 Cb -0.46 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 1ppb s ALA 22 CO 0.47 -0.25 1.11 -1.21 0.00 0.00 0.00 175.76 175.88 1ppb s GLU 23 N -2.54 2.95 0.26 0.00 2.02 -1.26 -4.92 118.70 115.20 1ppb s GLU 23 Ca 0.59 1.40 -0.29 0.00 0.02 0.00 0.00 54.97 56.68 1ppb s GLU 23 Cb -0.22 -1.97 -0.09 0.00 0.10 0.00 0.00 34.13 31.95 1ppb s GLU 23 CO 0.28 -1.14 1.21 0.42 0.02 0.00 0.00 175.26 176.05 1ppb s ILE 24 N -2.27 3.26 0.00 -1.63 1.09 -1.26 -2.81 121.20 117.58 1ppb s ILE 24 Ca 0.67 1.17 0.00 0.00 -1.10 0.00 0.00 60.65 61.39 1ppb s ILE 24 Cb -0.20 -3.74 0.00 0.00 -1.06 0.00 0.00 42.46 37.45 1ppb s ILE 24 CO 0.39 0.24 0.00 0.61 -0.10 0.00 0.00 174.94 176.08 1ppb n GLY 25 N 1.52 1.85 0.07 6.18 0.00 -1.26 -4.90 105.19 108.65 1ppb n GLY 25 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1ppb n GLY 25 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ppb n MET 26 N -2.00 0.11 -3.23 1.61 0.00 -1.12 -3.40 117.12 109.08 1ppb n MET 26 Ca 0.00 0.36 -0.24 0.00 0.00 0.00 0.00 57.70 57.81 1ppb n MET 26 Cb 0.00 -1.71 -0.07 0.00 0.00 0.00 0.00 33.22 31.45 1ppb n MET 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1ppb n SER 27 N -1.91 1.27 0.00 3.17 2.88 -1.26 -4.93 113.62 112.84 1ppb n SER 27 Ca 0.03 -2.94 0.09 0.00 -1.33 0.00 0.00 58.87 54.71 1ppb n SER 27 Cb 0.19 -0.64 0.43 0.00 -0.75 0.00 0.00 64.21 63.44 1ppb n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ppb n PRO 28 N 1.09 0.20 0.12 -1.46 -0.04 -1.22 -1.39 135.00 132.31 1ppb n PRO 28 Ca 0.24 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 1ppb n PRO 28 Cb 0.51 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.61 1ppb n PRO 28 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1ppb h TRP 29 N 0.00 0.00 -3.14 0.54 0.09 -1.72 -1.77 115.95 109.94 1ppb h TRP 29 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 58.89 58.42 1ppb h TRP 29 Cb 0.19 0.00 0.09 0.00 0.08 0.00 0.00 29.16 29.53 1ppb h TRP 29 CO 0.00 0.00 0.67 0.94 0.09 0.00 0.00 178.44 180.14 1ppb n GLN 30 N -2.58 2.30 -4.32 0.12 -0.06 -0.48 -0.19 117.38 112.17 1ppb n GLN 30 Ca 0.03 0.81 -0.18 0.00 -2.00 0.00 0.00 57.00 55.66 1ppb n GLN 30 Cb 0.50 -2.49 -0.14 0.00 -4.06 0.00 0.00 30.24 24.05 1ppb n GLN 30 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1ppb s VAL 31 N -0.45 0.71 -0.29 1.69 1.01 -0.63 -4.08 120.40 118.36 1ppb s VAL 31 Ca 0.62 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 62.03 1ppb s VAL 31 Cb -0.57 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1ppb s VAL 31 CO 0.54 0.13 0.12 -0.32 0.00 0.00 0.00 175.10 175.58 1ppb s MET 32 N -0.40 3.43 -0.14 2.72 1.75 -0.29 -1.03 119.30 125.34 1ppb s MET 32 Ca 0.02 -0.65 -0.21 0.00 -1.25 0.00 0.00 55.69 53.60 1ppb s MET 32 Cb -0.04 -3.49 -0.03 0.00 2.84 0.00 0.00 34.83 34.11 1ppb s MET 32 CO -0.00 -0.34 0.62 -0.51 -0.65 0.00 0.00 175.02 174.14 1ppb s LEU 33 N 1.61 4.23 -0.03 4.11 1.43 -0.18 -1.39 118.68 128.46 1ppb s LEU 33 Ca 0.05 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 1ppb s LEU 33 Cb -0.16 -2.91 0.03 0.00 0.03 0.00 0.00 46.19 43.17 1ppb s LEU 33 CO 0.05 -0.16 0.00 0.12 0.23 0.00 0.00 176.35 176.60 1ppb s PHE 34 N 1.26 0.32 0.18 0.29 5.36 -0.59 -0.73 117.98 124.07 1ppb s PHE 34 Ca 0.31 0.00 -0.17 0.00 -0.96 0.00 0.00 56.93 56.11 1ppb s PHE 34 Cb -0.16 -0.43 -0.08 0.00 -0.34 0.00 0.00 43.02 42.01 1ppb s PHE 34 CO 0.13 -0.14 0.64 0.50 -1.46 0.00 0.00 175.22 174.89 1ppb s ARG 35 N 1.11 4.14 -0.06 10.12 3.52 -0.20 -0.38 118.95 137.21 1ppb s ARG 35 Ca -0.08 0.70 -0.25 0.00 -0.13 0.00 0.00 55.73 55.96 1ppb s ARG 35 Cb -0.13 -2.93 -0.23 0.00 -1.56 0.00 0.00 34.95 30.10 1ppb s ARG 35 CO -0.02 0.45 1.04 0.87 -0.81 0.00 0.00 175.30 176.83 1ppb h LYS 36 N 3.56 0.11 -1.99 5.12 1.57 -1.40 -3.25 116.57 120.30 1ppb h LYS 36 Ca -0.48 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.05 1ppb h LYS 36 Cb 1.19 0.03 -0.29 0.00 0.08 0.00 0.00 32.23 33.24 1ppb h LYS 36 CO 0.65 0.84 -0.45 0.45 -0.57 0.00 0.00 179.45 180.37 1ppb s SER 36 N -6.16 0.09 0.38 0.86 0.15 -1.26 -3.02 113.70 104.73 1ppb s SER 36 Ca -0.16 0.40 -0.26 0.00 0.70 0.00 0.00 55.95 56.62 1ppb s SER 36 Cb 0.00 1.19 -0.09 0.00 -1.71 0.00 0.00 66.02 65.42 1ppb s SER 36 CO 0.72 -0.28 1.21 -2.16 1.20 0.00 0.00 173.24 173.92 1ppb s PRO 37 N 2.57 4.15 -0.04 5.44 0.04 -1.26 -5.06 135.00 140.83 1ppb s PRO 37 Ca 0.10 1.95 -0.34 0.00 0.04 0.00 0.00 61.00 62.76 1ppb s PRO 37 Cb -0.15 -2.81 -0.12 0.00 0.04 0.00 0.00 34.50 31.46 1ppb s PRO 37 CO -0.15 -0.27 1.84 1.04 0.04 0.00 0.00 177.00 179.50 1ppb n GLN 38 N 0.32 2.21 -3.67 4.56 3.00 -1.17 -4.67 117.38 117.96 1ppb n GLN 38 Ca 0.03 0.81 -0.11 0.00 -0.01 0.00 0.00 57.00 57.72 1ppb n GLN 38 Cb 0.45 -2.65 -0.09 0.00 0.00 0.00 0.00 30.24 27.95 1ppb n GLN 38 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1ppb s GLU 39 N 3.62 0.60 0.05 -1.09 2.12 -1.23 -4.99 118.70 117.79 1ppb s GLU 39 Ca 0.90 0.90 -0.31 0.00 0.36 0.00 0.00 54.97 56.83 1ppb s GLU 39 Cb -0.68 0.18 -0.06 0.00 0.26 0.00 0.00 34.13 33.84 1ppb s GLU 39 CO 0.49 -0.12 1.27 -1.17 -0.54 0.00 0.00 175.26 175.20 1ppb s LEU 40 N 0.92 4.35 -0.14 2.70 0.20 -1.26 -1.03 118.68 124.42 1ppb s LEU 40 Ca -0.05 2.09 0.11 0.00 0.69 0.00 0.00 54.13 56.96 1ppb s LEU 40 Cb -0.05 -3.58 -0.16 0.00 -0.43 0.00 0.00 46.19 41.97 1ppb s LEU 40 CO -0.08 -0.56 0.02 0.00 -0.29 0.00 0.00 176.35 175.44 1ppb n LEU 41 N 4.27 0.38 -3.82 -0.68 -0.00 0.09 -4.90 117.00 112.35 1ppb n LEU 41 Ca 0.10 -0.01 -0.04 0.00 -0.00 0.00 0.00 56.01 56.06 1ppb n LEU 41 Cb 0.45 0.22 0.00 0.00 -0.00 0.00 0.00 43.42 44.09 1ppb n LEU 41 CO 0.57 0.40 0.74 0.00 -0.00 0.00 0.00 177.39 179.10 1ppb s GLY 43 N -3.16 1.85 0.34 0.00 0.00 -0.07 -1.01 107.32 105.27 1ppb s GLY 43 Ca 0.17 -1.95 -0.14 0.00 0.00 0.00 0.00 44.72 42.80 1ppb s GLY 43 CO 0.04 -1.66 0.72 0.00 0.00 0.00 0.00 173.10 172.21 1ppb n ALA 44 N -2.08 -1.64 -2.91 3.20 0.00 -0.20 -4.03 120.51 112.85 1ppb n ALA 44 Ca 0.12 -1.12 -0.11 0.00 0.00 0.00 0.00 53.44 52.33 1ppb n ALA 44 Cb 0.61 0.88 -0.13 0.00 0.00 0.00 0.00 19.45 20.81 1ppb n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ppb s SER 45 N -2.87 0.05 -0.29 0.00 1.04 -0.90 -1.61 113.70 109.12 1ppb s SER 45 Ca 0.15 -0.12 -0.29 0.00 0.48 0.00 0.00 55.95 56.17 1ppb s SER 45 Cb -0.04 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.13 1ppb s SER 45 CO 0.10 -0.09 1.14 -0.22 0.98 0.00 0.00 173.24 175.16 1ppb s LEU 46 N -0.40 3.96 0.00 2.42 1.98 0.74 -0.85 118.68 126.52 1ppb s LEU 46 Ca -0.04 1.18 0.10 0.00 -2.89 0.00 0.00 54.13 52.47 1ppb s LEU 46 Cb -0.03 -3.54 0.20 0.00 0.66 0.00 0.00 46.19 43.48 1ppb s LEU 46 CO -0.00 -0.90 1.06 2.30 -1.89 0.00 0.00 176.35 176.92 1ppb n ILE 47 N 5.86 0.57 0.00 6.68 -5.35 -0.82 -1.69 119.36 124.62 1ppb n ILE 47 Ca 0.13 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 61.82 1ppb n ILE 47 Cb 0.47 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 1ppb n ILE 47 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1ppb n SER 48 N 0.50 0.00 0.01 7.28 2.88 -1.24 -4.79 113.62 118.26 1ppb n SER 48 Ca 0.09 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.66 1ppb n SER 48 Cb 0.35 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.94 1ppb n SER 48 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1ppb n ASP 49 N 0.00 0.03 0.00 -3.46 5.75 -1.26 -2.86 116.55 114.75 1ppb n ASP 49 Ca 0.00 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.29 1ppb n ASP 49 Cb 0.00 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 1ppb n ASP 49 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1ppb n ARG 50 N -1.54 5.48 -4.77 0.11 0.63 -1.26 -2.29 116.66 113.01 1ppb n ARG 50 Ca 0.01 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.68 1ppb n ARG 50 Cb 0.06 -0.52 -0.16 0.00 0.45 0.00 0.00 32.46 32.29 1ppb n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1ppb s TRP 51 N -1.02 1.71 -0.05 -0.14 0.52 -1.14 -0.55 118.94 118.28 1ppb s TRP 51 Ca 0.00 -0.60 0.05 0.00 0.02 0.00 0.00 56.10 55.58 1ppb s TRP 51 Cb 0.00 -1.19 -0.01 0.00 -1.15 0.00 0.00 33.47 31.12 1ppb s TRP 51 CO 0.00 -0.26 -0.21 0.08 0.02 0.00 0.00 176.95 176.58 1ppb s VAL 52 N 0.38 1.75 -0.10 4.03 1.01 0.14 -1.94 120.40 125.68 1ppb s VAL 52 Ca -0.11 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1ppb s VAL 52 Cb -0.14 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1ppb s VAL 52 CO 0.04 0.49 0.02 -0.22 0.00 0.00 0.00 175.10 175.43 1ppb s LEU 53 N -0.10 3.66 0.00 3.92 2.96 -0.03 -0.89 118.68 128.20 1ppb s LEU 53 Ca -0.03 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1ppb s LEU 53 Cb -0.12 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.72 1ppb s LEU 53 CO 0.03 0.36 0.19 1.07 -1.32 0.00 0.00 176.35 176.68 1ppb n THR 54 N 2.26 0.00 -2.98 3.68 5.66 -0.08 -2.12 114.28 120.70 1ppb n THR 54 Ca -0.19 -0.80 -0.40 0.00 -3.05 0.00 0.00 64.05 59.62 1ppb n THR 54 Cb 0.54 0.47 -0.06 0.00 -1.55 0.00 0.00 70.33 69.73 1ppb n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ppb s ALA 55 N -2.17 3.42 0.47 1.79 0.00 -1.26 -1.50 121.76 122.51 1ppb s ALA 55 Ca 0.13 0.35 0.13 0.00 0.00 0.00 0.00 51.96 52.56 1ppb s ALA 55 Cb -0.00 -2.97 1.08 0.00 0.00 0.00 0.00 23.12 21.23 1ppb s ALA 55 CO 0.09 0.23 2.09 0.00 0.00 0.00 0.00 175.76 178.17 1ppb h ALA 56 N 4.70 1.85 0.00 0.00 0.00 -1.68 -2.56 119.26 121.56 1ppb h ALA 56 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ppb h ALA 56 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ppb h ALA 56 CO 0.67 0.13 0.00 1.12 0.00 0.00 0.00 179.25 181.17 1ppb h HIS 57 N 0.19 0.00 0.00 0.00 2.07 -1.91 0.35 115.15 115.84 1ppb h HIS 57 Ca 0.05 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.53 1ppb h HIS 57 Cb 0.04 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.01 1ppb h HIS 57 CO 0.00 0.00 -0.20 0.00 -3.07 0.00 0.00 177.93 174.66 1ppb n LEU 59 N -3.84 2.64 -3.76 0.00 4.77 -0.38 -4.86 117.00 111.57 1ppb n LEU 59 Ca -0.02 -0.03 -0.23 0.00 -0.03 0.00 0.00 56.01 55.71 1ppb n LEU 59 Cb 0.30 -0.61 -0.18 0.00 -2.33 0.00 0.00 43.42 40.60 1ppb n LEU 59 CO 0.33 0.72 -0.38 -0.22 -1.33 0.00 0.00 177.39 176.52 1ppb s LEU 60 N -6.25 0.58 0.25 2.23 2.96 -0.03 -0.35 118.68 118.06 1ppb s LEU 60 Ca -0.25 -0.11 -0.15 0.00 -0.22 0.00 0.00 54.13 53.40 1ppb s LEU 60 Cb 0.07 -0.42 0.00 0.00 0.50 0.00 0.00 46.19 46.34 1ppb s LEU 60 CO 0.40 -0.21 0.53 -0.47 -1.32 0.00 0.00 176.35 175.28 1ppb s TYR 60 N 1.98 0.22 0.00 5.38 5.04 -0.35 -3.80 117.35 125.83 1ppb s TYR 60 Ca 0.05 -0.60 0.00 0.00 -2.44 0.00 0.00 57.07 54.08 1ppb s TYR 60 Cb -0.12 0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.49 1ppb s TYR 60 CO -0.05 -1.04 0.00 -2.30 -1.34 0.00 0.00 175.55 170.82 1ppb n PRO 60 N -0.39 0.00 -0.73 4.97 -0.02 -1.26 -1.95 135.00 135.62 1ppb n PRO 60 Ca -0.03 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.51 1ppb n PRO 60 Cb 0.61 -0.18 0.33 0.00 -0.02 0.00 0.00 33.50 34.24 1ppb n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1ppb n TRP 60 N 0.00 1.64 -3.41 6.00 8.01 -1.26 -4.94 117.44 123.47 1ppb n TRP 60 Ca 0.00 -0.89 -0.20 0.00 -1.31 0.00 0.00 57.50 55.10 1ppb n TRP 60 Cb 0.00 -0.46 0.05 0.00 -2.01 0.00 0.00 31.31 28.89 1ppb n TRP 60 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1ppb n ASP 60 N -0.01 -6.23 -3.95 -0.99 -0.08 -1.22 -4.99 116.55 99.08 1ppb n ASP 60 Ca 0.27 -0.76 -0.28 0.00 -1.51 0.00 0.00 54.79 52.51 1ppb n ASP 60 Cb 1.10 -4.38 -0.17 0.00 2.34 0.00 0.00 41.12 40.01 1ppb n ASP 60 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1ppb s LYS 60 N -4.85 1.80 -0.48 -0.67 2.20 -0.82 -5.02 119.74 111.90 1ppb s LYS 60 Ca 0.39 -0.41 0.06 0.00 -0.36 0.00 0.00 55.97 55.65 1ppb s LYS 60 Cb -0.09 -1.84 0.20 0.00 -1.51 0.00 0.00 37.83 34.58 1ppb s LYS 60 CO 0.79 -0.28 0.66 -1.71 -0.36 0.00 0.00 175.35 174.46 1ppb n ASN 60 N 4.87 -2.47 -4.75 1.43 2.85 -1.22 -1.21 115.26 114.76 1ppb n ASN 60 Ca -0.14 -2.86 -0.40 0.00 -0.11 0.00 0.00 54.58 51.07 1ppb n ASN 60 Cb 0.50 1.11 -0.06 0.00 1.24 0.00 0.00 39.78 42.57 1ppb n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1ppb s PHE 60 N 0.51 3.92 0.43 1.20 0.08 0.52 -5.00 117.98 119.65 1ppb s PHE 60 Ca 0.31 1.87 0.07 0.00 0.12 0.00 0.00 56.93 59.31 1ppb s PHE 60 Cb 0.07 -3.03 -0.03 0.00 -0.57 0.00 0.00 43.02 39.46 1ppb s PHE 60 CO -0.12 0.30 0.28 0.99 -0.10 0.00 0.00 175.22 176.57 1ppb s THR 60 N -0.99 2.33 0.58 0.64 2.01 -1.26 -4.86 115.64 114.08 1ppb s THR 60 Ca 0.42 -1.54 0.28 0.00 0.31 0.00 0.00 61.69 61.17 1ppb s THR 60 Cb -0.26 -2.86 0.38 0.00 0.01 0.00 0.00 72.50 69.76 1ppb s THR 60 CO 0.33 0.00 1.99 -0.33 -0.69 0.00 0.00 174.62 175.92 1ppb h GLU 61 N 1.18 0.00 -0.60 4.92 3.07 -1.93 -0.73 114.58 120.48 1ppb h GLU 61 Ca -0.41 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.01 1ppb h GLU 61 Cb 1.27 0.00 -0.32 0.00 -0.84 0.00 0.00 28.75 28.85 1ppb h GLU 61 CO 0.63 0.00 -0.62 0.27 -1.40 0.00 0.00 179.01 177.90 1ppb n ASN 62 N -3.85 4.36 -0.63 1.42 2.04 -1.26 -4.16 115.26 113.18 1ppb n ASN 62 Ca 0.06 -3.79 0.07 0.00 -0.44 0.00 0.00 54.58 50.48 1ppb n ASN 62 Cb 0.53 -0.43 0.11 0.00 -2.53 0.00 0.00 39.78 37.45 1ppb n ASN 62 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1ppb n ASP 63 N -0.82 2.53 -3.87 0.53 8.00 -0.28 -5.01 116.55 117.63 1ppb n ASP 63 Ca 0.40 -1.74 -0.11 0.00 0.71 0.00 0.00 54.79 54.04 1ppb n ASP 63 Cb 0.90 -0.12 -0.12 0.00 -0.02 0.00 0.00 41.12 41.77 1ppb n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ppb s LEU 64 N -1.06 1.70 0.17 0.64 1.43 -1.26 -1.00 118.68 119.30 1ppb s LEU 64 Ca 0.21 -0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.33 1ppb s LEU 64 Cb 0.12 0.40 -0.04 0.00 0.03 0.00 0.00 46.19 46.71 1ppb s LEU 64 CO 0.17 -0.18 0.07 -0.76 0.23 0.00 0.00 176.35 175.88 1ppb s LEU 65 N -0.62 3.56 -0.14 1.79 1.43 0.49 -4.59 118.68 120.60 1ppb s LEU 65 Ca -0.07 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1ppb s LEU 65 Cb -0.04 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 44.00 1ppb s LEU 65 CO 0.00 0.08 -0.20 -0.69 0.23 0.00 0.00 176.35 175.77 1ppb s VAL 66 N -1.75 1.92 -0.18 -1.59 1.01 -0.63 -1.55 120.40 117.64 1ppb s VAL 66 Ca 0.29 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1ppb s VAL 66 Cb -0.10 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1ppb s VAL 66 CO 0.21 0.52 -0.09 -0.13 0.00 0.00 0.00 175.10 175.61 1ppb s ARG 67 N 0.94 3.35 0.09 2.72 0.52 -0.48 -1.16 118.95 124.93 1ppb s ARG 67 Ca -0.05 -0.66 0.10 0.00 -0.52 0.00 0.00 55.73 54.60 1ppb s ARG 67 Cb -0.15 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.45 1ppb s ARG 67 CO -0.04 -0.05 -0.25 0.42 0.02 0.00 0.00 175.30 175.40 1ppb s ILE 68 N 1.05 2.10 0.00 1.52 1.01 -0.60 -1.14 121.20 125.14 1ppb s ILE 68 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 60.65 59.10 1ppb s ILE 68 Cb -0.15 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.49 1ppb s ILE 68 CO -0.01 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1ppb n GLY 69 N 1.34 0.92 3.82 6.18 0.00 -1.26 -1.78 105.19 114.40 1ppb n GLY 69 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1ppb n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ppb s LYS 70 N -0.10 3.71 0.07 1.61 1.02 -1.26 -4.50 119.74 120.29 1ppb s LYS 70 Ca 0.00 1.16 0.00 0.00 0.02 0.00 0.00 55.97 57.15 1ppb s LYS 70 Cb 0.00 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1ppb s LYS 70 CO 0.00 -0.49 0.00 1.58 -0.92 0.00 0.00 175.35 175.52 1ppb n HIS 71 N -1.52 -0.32 -2.04 3.18 -0.00 -1.26 -4.96 115.22 108.31 1ppb n HIS 71 Ca 0.08 0.06 -0.41 0.00 -0.00 0.00 0.00 57.72 57.45 1ppb n HIS 71 Cb 0.53 0.14 -0.02 0.00 -0.00 0.00 0.00 29.99 30.64 1ppb n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ppb s SER 72 N -5.36 6.67 0.41 0.26 0.15 -1.26 -1.65 113.70 112.92 1ppb s SER 72 Ca 0.00 2.74 0.12 0.00 0.70 0.00 0.00 55.95 59.51 1ppb s SER 72 Cb 0.00 -2.65 0.88 0.00 -1.71 0.00 0.00 66.02 62.54 1ppb s SER 72 CO 0.00 -0.63 1.94 -0.09 1.20 0.00 0.00 173.24 175.66 1ppb h ARG 73 N 3.74 0.11 0.00 5.44 2.43 -1.41 -3.41 114.38 121.28 1ppb h ARG 73 Ca -0.48 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1ppb h ARG 73 Cb 1.23 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1ppb h ARG 73 CO 0.68 0.29 -0.76 0.25 -1.51 0.00 0.00 179.97 178.92 1ppb n THR 74 N -4.28 0.00 -3.11 0.20 -2.24 -1.26 -5.01 114.28 98.57 1ppb n THR 74 Ca -0.02 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.40 1ppb n THR 74 Cb 0.27 -0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 67.75 1ppb n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ppb s ARG 75 N -1.76 4.29 -0.09 -0.78 1.70 -1.26 -5.00 118.95 116.04 1ppb s ARG 75 Ca 0.00 0.89 -0.30 0.00 -0.47 0.00 0.00 55.73 55.85 1ppb s ARG 75 Cb 0.00 -2.98 -0.08 0.00 -0.57 0.00 0.00 34.95 31.32 1ppb s ARG 75 CO 0.00 0.45 2.08 0.98 -1.08 0.00 0.00 175.30 177.73 1ppb n TYR 76 N 0.97 2.24 -3.13 5.89 9.36 -1.26 -4.77 117.16 126.45 1ppb n TYR 76 Ca -0.04 -0.23 -0.43 0.00 3.32 0.00 0.00 57.90 60.52 1ppb n TYR 76 Cb 0.51 -2.75 -0.06 0.00 -0.63 0.00 0.00 39.34 36.40 1ppb n TYR 76 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1ppb s GLU 77 N 5.30 3.18 0.03 2.98 2.02 -1.26 -4.99 118.70 125.95 1ppb s GLU 77 Ca 0.95 -0.67 -0.23 0.00 0.02 0.00 0.00 54.97 55.04 1ppb s GLU 77 Cb -0.43 -4.04 -0.16 0.00 0.10 0.00 0.00 34.13 29.60 1ppb s GLU 77 CO 0.40 -1.14 1.42 -0.09 0.02 0.00 0.00 175.26 175.87 1ppb h ARG 77 N 8.96 0.12 -0.31 1.61 2.43 -1.94 -1.24 114.38 124.02 1ppb h ARG 77 Ca -0.27 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.72 1ppb h ARG 77 Cb 1.09 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.56 1ppb h ARG 77 CO 0.94 0.44 -0.07 0.09 -1.51 0.00 0.00 179.97 179.85 1ppb n ASN 78 N -4.83 2.70 0.02 -3.80 5.03 -1.26 -4.49 115.26 108.62 1ppb n ASN 78 Ca -0.07 -3.61 -0.01 0.00 0.87 0.00 0.00 54.58 51.76 1ppb n ASN 78 Cb 0.21 -0.61 -0.00 0.00 -1.02 0.00 0.00 39.78 38.36 1ppb n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1ppb n ILE 79 N -1.03 0.66 -2.29 2.41 5.41 -1.10 -5.06 119.36 118.37 1ppb n ILE 79 Ca 0.30 0.18 -0.31 0.00 1.00 0.00 0.00 62.75 63.93 1ppb n ILE 79 Cb 0.98 -1.58 -0.01 0.00 -0.71 0.00 0.00 39.64 38.33 1ppb n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ppb s GLU 80 N -2.04 3.70 -0.11 0.38 -1.05 -0.49 -4.72 118.70 114.37 1ppb s GLU 80 Ca -0.02 0.66 0.00 0.00 -0.15 0.00 0.00 54.97 55.46 1ppb s GLU 80 Cb 0.01 -2.19 0.02 0.00 -0.44 0.00 0.00 34.13 31.52 1ppb s GLU 80 CO 0.03 -0.35 -0.10 0.21 0.95 0.00 0.00 175.26 176.00 1ppb s LYS 81 N -4.63 1.68 -0.23 -4.83 2.36 -0.73 -4.94 119.74 108.42 1ppb s LYS 81 Ca 0.54 -0.33 -0.17 0.00 -2.55 0.00 0.00 55.97 53.45 1ppb s LYS 81 Cb -0.10 -1.63 -0.03 0.00 -1.05 0.00 0.00 37.83 35.02 1ppb s LYS 81 CO 0.43 -0.20 0.48 0.42 1.55 0.00 0.00 175.35 178.03 1ppb s ILE 82 N 1.45 5.12 0.25 5.43 1.01 -1.26 -1.55 121.20 131.64 1ppb s ILE 82 Ca 0.01 0.83 0.12 0.00 0.00 0.00 0.00 60.65 61.61 1ppb s ILE 82 Cb -0.13 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 1ppb s ILE 82 CO -0.06 0.15 -0.21 -0.44 0.00 0.00 0.00 174.94 174.38 1ppb s SER 83 N 1.34 3.54 0.37 3.58 0.01 -0.31 -4.96 113.70 117.27 1ppb s SER 83 Ca 0.21 -0.97 0.08 0.00 1.31 0.00 0.00 55.95 56.58 1ppb s SER 83 Cb -0.15 -0.28 -0.05 0.00 0.21 0.00 0.00 66.02 65.74 1ppb s SER 83 CO 0.09 0.07 0.13 -0.04 0.41 0.00 0.00 173.24 173.90 1ppb s MET 84 N -3.22 2.25 0.06 12.44 1.00 -1.26 -1.60 119.30 128.97 1ppb s MET 84 Ca 0.27 -1.71 0.06 0.00 0.00 0.00 0.00 55.69 54.31 1ppb s MET 84 Cb -0.06 -2.05 -0.04 0.00 0.00 0.00 0.00 34.83 32.69 1ppb s MET 84 CO 0.13 0.02 -0.13 -0.51 0.00 0.00 0.00 175.02 174.53 1ppb s LEU 85 N -3.85 2.90 -0.25 -0.03 1.43 -1.26 -1.66 118.68 115.96 1ppb s LEU 85 Ca 0.39 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 1ppb s LEU 85 Cb 0.01 -1.70 -0.14 0.00 0.03 0.00 0.00 46.19 44.39 1ppb s LEU 85 CO 0.22 0.23 -0.20 1.21 0.23 0.00 0.00 176.35 178.04 1ppb n GLU 86 N 1.22 0.58 -3.83 1.70 2.13 0.56 -4.67 120.64 118.33 1ppb n GLU 86 Ca -0.15 0.35 -0.12 0.00 0.66 0.00 0.00 57.16 57.90 1ppb n GLU 86 Cb 0.52 -1.56 -0.09 0.00 0.27 0.00 0.00 31.44 30.58 1ppb n GLU 86 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1ppb s LYS 87 N -2.48 0.57 -0.11 5.31 -0.14 -1.04 -4.96 119.74 116.88 1ppb s LYS 87 Ca -0.35 -0.35 0.03 0.00 -1.36 0.00 0.00 55.97 53.94 1ppb s LYS 87 Cb 0.12 0.24 0.01 0.00 -1.68 0.00 0.00 37.83 36.52 1ppb s LYS 87 CO 0.51 -0.15 -0.20 0.42 -0.76 0.00 0.00 175.35 175.17 1ppb s ILE 88 N -1.48 1.86 -0.21 2.17 1.01 -1.26 -1.11 121.20 122.18 1ppb s ILE 88 Ca -0.13 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.66 1ppb s ILE 88 Cb -0.06 -1.64 0.04 0.00 0.01 0.00 0.00 42.46 40.80 1ppb s ILE 88 CO 0.02 0.51 -0.16 -0.31 0.00 0.00 0.00 174.94 175.00 1ppb s TYR 89 N 0.70 2.95 -0.07 3.97 2.02 0.09 -4.98 117.35 122.04 1ppb s TYR 89 Ca -0.11 -1.91 -0.04 0.00 -0.37 0.00 0.00 57.07 54.63 1ppb s TYR 89 Cb -0.16 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 1ppb s TYR 89 CO 0.02 -0.83 0.14 0.42 -1.57 0.00 0.00 175.55 173.73 1ppb s ILE 90 N 1.22 5.33 0.12 2.71 1.01 -1.26 -0.48 121.20 129.85 1ppb s ILE 90 Ca -0.01 -0.02 -0.35 0.00 0.00 0.00 0.00 60.65 60.28 1ppb s ILE 90 Cb -0.16 -3.39 -0.15 0.00 0.01 0.00 0.00 42.46 38.78 1ppb s ILE 90 CO -0.10 0.48 1.53 1.57 0.00 0.00 0.00 174.94 178.43 1ppb n HIS 91 N 1.53 2.08 0.28 3.97 -0.00 -1.10 -4.87 115.22 117.11 1ppb n HIS 91 Ca -0.16 0.36 0.14 0.00 -0.00 0.00 0.00 57.72 58.05 1ppb n HIS 91 Cb 0.54 -2.49 0.81 0.00 -0.00 0.00 0.00 29.99 28.84 1ppb n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ppb h PRO 92 N 5.74 0.00 -0.48 1.57 0.13 -1.96 -2.95 132.00 134.05 1ppb h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ppb h PRO 92 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ppb h PRO 92 CO 0.86 0.07 0.00 0.54 -0.23 0.00 0.00 178.00 179.24 1ppb n ARG 93 N -3.72 4.18 -1.68 0.86 1.74 -1.26 -4.97 116.66 111.81 1ppb n ARG 93 Ca -0.02 -3.04 -0.46 0.00 -0.77 0.00 0.00 57.85 53.56 1ppb n ARG 93 Cb 0.17 -2.10 -0.04 0.00 -1.02 0.00 0.00 32.46 29.47 1ppb n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1ppb n TYR 94 N 0.29 2.35 -3.54 -1.55 9.36 -1.12 -4.77 117.16 118.18 1ppb n TYR 94 Ca 0.25 0.14 -0.41 0.00 3.32 0.00 0.00 57.90 61.21 1ppb n TYR 94 Cb 1.07 -2.60 -0.07 0.00 -0.63 0.00 0.00 39.34 37.11 1ppb n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ppb s ASN 95 N 1.90 5.83 0.22 2.98 3.84 0.11 -4.88 114.94 124.93 1ppb s ASN 95 Ca 0.82 -2.27 0.15 0.00 0.21 0.00 0.00 52.86 51.77 1ppb s ASN 95 Cb -0.65 -2.02 -0.01 0.00 -0.55 0.00 0.00 41.25 38.02 1ppb s ASN 95 CO 0.41 -0.61 1.29 4.11 -2.79 0.00 0.00 177.10 179.51 1ppb h TRP 96 N 8.03 0.00 -0.29 0.43 5.08 -1.91 -2.30 115.95 124.99 1ppb h TRP 96 Ca -0.11 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.82 1ppb h TRP 96 Cb 1.04 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.19 1ppb h TRP 96 CO 0.73 0.57 0.04 0.00 -1.28 0.00 0.00 178.44 178.50 1ppb h ARG 97 N 0.00 0.48 0.00 0.12 3.08 -2.00 -3.43 114.38 112.63 1ppb h ARG 97 Ca -0.04 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1ppb h ARG 97 Cb 1.47 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.46 1ppb h ARG 97 CO 0.07 0.60 0.00 -1.91 -1.07 0.00 0.00 179.97 177.65 1ppb n GLU 97 N -4.64 0.00 -0.04 0.04 2.13 -1.26 -4.94 120.64 111.94 1ppb n GLU 97 Ca -0.03 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.82 1ppb n GLU 97 Cb 0.21 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.96 1ppb n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ppb n ASN 98 N -1.39 1.81 -3.42 4.31 6.94 -1.25 -4.96 115.26 117.29 1ppb n ASN 98 Ca 0.00 -2.22 -0.22 0.00 -0.02 0.00 0.00 54.58 52.12 1ppb n ASN 98 Cb 0.00 -0.13 0.08 0.00 -2.36 0.00 0.00 39.78 37.36 1ppb n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ppb n LEU 99 N -0.70 -3.35 -4.72 -4.53 4.77 -0.87 -4.97 117.00 102.63 1ppb n LEU 99 Ca 0.05 -0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 55.10 1ppb n LEU 99 Cb 0.41 -2.90 -0.03 0.00 -2.33 0.00 0.00 43.42 38.56 1ppb n LEU 99 CO 0.00 0.61 0.76 -0.62 -1.33 0.00 0.00 177.39 176.82 1ppb s ASP 100 N -3.34 7.29 -0.52 -1.43 2.15 -1.16 -3.57 116.67 116.08 1ppb s ASP 100 Ca 0.53 1.88 -0.02 0.00 0.43 0.00 0.00 52.55 55.37 1ppb s ASP 100 Cb -0.23 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 39.77 1ppb s ASP 100 CO 0.69 -0.27 0.45 0.54 -0.17 0.00 0.00 175.17 176.40 1ppb n ARG 101 N 3.36 -1.45 -2.69 4.34 1.74 -1.26 0.08 116.66 120.78 1ppb n ARG 101 Ca 0.05 0.42 -0.43 0.00 -0.77 0.00 0.00 57.85 57.12 1ppb n ARG 101 Cb 0.48 -3.68 0.00 0.00 -1.02 0.00 0.00 32.46 28.24 1ppb n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ppb n ASP 102 N -2.28 5.06 -3.74 0.55 2.03 -1.23 -4.36 116.55 112.58 1ppb n ASP 102 Ca -0.05 -2.98 -0.13 0.00 0.52 0.00 0.00 54.79 52.14 1ppb n ASP 102 Cb 0.56 -1.60 -0.10 0.00 -0.72 0.00 0.00 41.12 39.27 1ppb n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ppb s ILE 103 N 2.00 0.02 -0.09 5.18 2.07 -1.26 -3.95 121.20 125.17 1ppb s ILE 103 Ca 0.45 -0.14 -0.18 0.00 -1.41 0.00 0.00 60.65 59.37 1ppb s ILE 103 Cb 0.02 -0.57 0.04 0.00 0.13 0.00 0.00 42.46 42.08 1ppb s ILE 103 CO 0.01 -0.07 0.45 0.00 -1.91 0.00 0.00 174.94 173.41 1ppb s ALA 104 N -0.28 -1.13 0.03 1.50 0.00 -0.56 -2.71 121.76 118.61 1ppb s ALA 104 Ca -0.04 0.94 0.05 0.00 0.00 0.00 0.00 51.96 52.90 1ppb s ALA 104 Cb -0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1ppb s ALA 104 CO 0.02 -0.26 -0.09 -0.51 0.00 0.00 0.00 175.76 174.92 1ppb s LEU 105 N -0.63 3.07 -0.11 0.00 1.43 0.37 -0.90 118.68 121.90 1ppb s LEU 105 Ca -0.07 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1ppb s LEU 105 Cb -0.03 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.42 1ppb s LEU 105 CO 0.04 0.25 -0.11 -0.04 0.23 0.00 0.00 176.35 176.72 1ppb s MET 106 N -1.61 1.82 -0.29 1.70 -1.94 -0.07 -0.73 119.30 118.17 1ppb s MET 106 Ca 0.18 -0.39 -0.16 0.00 -1.71 0.00 0.00 55.69 53.61 1ppb s MET 106 Cb -0.11 -1.72 -0.03 0.00 2.01 0.00 0.00 34.83 34.99 1ppb s MET 106 CO 0.09 -0.19 0.41 0.21 -0.01 0.00 0.00 175.02 175.53 1ppb s LYS 107 N 1.41 3.88 0.69 2.03 2.47 -0.27 -0.68 119.74 129.27 1ppb s LYS 107 Ca 0.01 -0.04 -0.11 0.00 -1.56 0.00 0.00 55.97 54.27 1ppb s LYS 107 Cb -0.13 -3.70 0.01 0.00 -1.46 0.00 0.00 37.83 32.54 1ppb s LYS 107 CO -0.06 -0.38 1.06 -0.51 0.16 0.00 0.00 175.35 175.62 1ppb s LEU 108 N 2.14 3.15 0.07 5.43 1.43 0.29 -0.33 118.68 130.87 1ppb s LEU 108 Ca 0.16 1.64 0.03 0.00 -1.03 0.00 0.00 54.13 54.93 1ppb s LEU 108 Cb -0.16 -4.50 -0.24 0.00 0.03 0.00 0.00 46.19 41.32 1ppb s LEU 108 CO 0.11 -1.45 1.11 0.50 0.23 0.00 0.00 176.35 176.84 1ppb h LYS 109 N -0.66 0.12 -3.96 1.70 3.64 -1.58 -3.39 116.57 112.44 1ppb h LYS 109 Ca -0.44 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 58.63 1ppb h LYS 109 Cb 1.21 0.07 -0.16 0.00 -0.41 0.00 0.00 32.23 32.94 1ppb h LYS 109 CO 0.57 1.02 -0.55 0.21 -2.27 0.00 0.00 179.45 178.43 1ppb s LYS 110 N -2.67 0.63 0.46 1.90 2.20 -1.26 -4.93 119.74 116.08 1ppb s LYS 110 Ca -0.03 -0.94 -0.22 0.00 -0.36 0.00 0.00 55.97 54.42 1ppb s LYS 110 Cb 0.08 0.24 -0.08 0.00 -1.51 0.00 0.00 37.83 36.57 1ppb s LYS 110 CO 0.84 -0.15 1.12 -1.25 -0.36 0.00 0.00 175.35 175.55 1ppb s PRO 111 N -3.23 3.81 0.24 4.03 0.04 -1.26 -4.92 135.00 133.70 1ppb s PRO 111 Ca 0.00 1.64 -0.10 0.00 0.04 0.00 0.00 61.00 62.59 1ppb s PRO 111 Cb 0.03 -2.35 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 1ppb s PRO 111 CO -0.07 -0.48 0.56 0.08 0.04 0.00 0.00 177.00 177.13 1ppb s VAL 112 N -1.65 4.92 -0.05 -0.36 1.01 -0.97 -5.05 120.40 118.24 1ppb s VAL 112 Ca 0.64 0.50 -0.01 0.00 0.00 0.00 0.00 61.98 63.11 1ppb s VAL 112 Cb -0.25 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1ppb s VAL 112 CO 0.30 -0.08 0.02 0.00 0.00 0.00 0.00 175.10 175.34 1ppb s ALA 113 N -1.83 3.35 0.50 5.51 0.00 -1.26 -4.77 121.76 123.26 1ppb s ALA 113 Ca 0.48 -0.85 -0.19 0.00 0.00 0.00 0.00 51.96 51.39 1ppb s ALA 113 Cb -0.11 -1.47 -0.08 0.00 0.00 0.00 0.00 23.12 21.46 1ppb s ALA 113 CO 0.21 0.62 1.03 -0.06 0.00 0.00 0.00 175.76 177.57 1ppb s PHE 114 N -0.99 3.03 0.00 0.00 0.08 -1.26 -4.89 117.98 113.94 1ppb s PHE 114 Ca 0.17 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.78 1ppb s PHE 114 Cb -0.11 -3.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.30 1ppb s PHE 114 CO 0.06 -0.81 0.00 -1.13 -0.10 0.00 0.00 175.22 173.24 1ppb n SER 115 N -1.13 0.00 0.25 1.36 3.41 -0.62 -4.96 113.62 111.94 1ppb n SER 115 Ca 0.09 -0.49 0.13 0.00 -0.26 0.00 0.00 58.87 58.34 1ppb n SER 115 Cb 0.53 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 65.04 1ppb n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ppb h ASP 116 N 0.00 0.00 0.00 4.04 3.32 -1.99 -3.09 116.42 118.70 1ppb h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ppb h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ppb h ASP 116 CO 0.00 0.11 -1.52 -1.22 -1.72 0.00 0.00 179.24 174.89 1ppb n TYR 117 N -3.26 0.00 -3.81 4.55 4.01 -1.26 -4.78 117.16 112.61 1ppb n TYR 117 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.47 1ppb n TYR 117 Cb 0.37 -0.28 -0.17 0.00 -0.31 0.00 0.00 39.34 38.96 1ppb n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ppb s ILE 118 N -3.18 0.76 -0.26 -0.72 1.01 -1.17 -4.19 121.20 113.45 1ppb s ILE 118 Ca -0.01 -0.49 -0.14 0.00 0.00 0.00 0.00 60.65 60.00 1ppb s ILE 118 Cb 0.14 -1.07 0.08 0.00 0.01 0.00 0.00 42.46 41.62 1ppb s ILE 118 CO 0.83 0.00 0.63 -2.28 0.00 0.00 0.00 174.94 174.12 1ppb s HIS 119 N 1.77 -1.00 0.49 3.97 2.46 -0.67 -1.59 115.29 120.74 1ppb s HIS 119 Ca 0.00 1.99 -0.23 0.00 0.47 0.00 0.00 55.06 57.29 1ppb s HIS 119 Cb -0.16 0.58 -0.06 0.00 -0.13 0.00 0.00 32.58 32.81 1ppb s HIS 119 CO -0.07 -0.51 1.33 -1.25 -2.47 0.00 0.00 174.74 171.77 1ppb s PRO 120 N 1.71 3.46 0.47 2.88 0.04 -1.26 -2.23 135.00 140.06 1ppb s PRO 120 Ca -0.09 2.18 -0.04 0.00 0.04 0.00 0.00 61.00 63.08 1ppb s PRO 120 Cb -0.06 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 1ppb s PRO 120 CO -0.18 -0.91 0.75 0.54 0.04 0.00 0.00 177.00 177.23 1ppb s VAL 121 N -1.32 4.70 0.24 -0.36 0.11 -0.68 -4.91 120.40 118.17 1ppb s VAL 121 Ca 0.66 -0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.63 1ppb s VAL 121 Cb -0.39 -3.78 -0.06 0.00 -1.53 0.00 0.00 36.38 30.63 1ppb s VAL 121 CO 0.47 -0.70 0.53 0.00 -3.33 0.00 0.00 175.10 172.07 1ppb s LEU 123 N -3.08 4.33 0.35 0.00 1.43 -1.26 -0.42 118.68 120.03 1ppb s LEU 123 Ca 0.45 0.86 -0.26 0.00 -1.03 0.00 0.00 54.13 54.15 1ppb s LEU 123 Cb -0.11 -3.10 -0.09 0.00 0.03 0.00 0.00 46.19 42.92 1ppb s LEU 123 CO 0.25 0.14 1.05 -2.16 0.23 0.00 0.00 176.35 175.86 1ppb s PRO 124 N -2.00 4.39 0.68 1.29 0.04 -1.26 -4.89 135.00 133.25 1ppb s PRO 124 Ca 0.35 1.58 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 1ppb s PRO 124 Cb -0.14 -2.81 0.09 0.00 0.04 0.00 0.00 34.50 31.68 1ppb s PRO 124 CO 0.19 0.05 0.94 0.16 0.04 0.00 0.00 177.00 178.38 1ppb s ASP 125 N -1.34 4.64 0.26 6.66 -4.77 -1.26 -4.86 116.67 116.00 1ppb s ASP 125 Ca 0.52 -0.10 -0.02 0.00 -3.30 0.00 0.00 52.55 49.65 1ppb s ASP 125 Cb -0.25 -0.46 0.56 0.00 -1.09 0.00 0.00 42.92 41.69 1ppb s ASP 125 CO 0.31 -1.64 1.70 0.03 0.70 0.00 0.00 175.17 176.27 1ppb h ARG 126 N -0.41 0.34 -0.05 2.11 3.08 -1.98 -0.99 114.38 116.47 1ppb h ARG 126 Ca -0.40 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.43 1ppb h ARG 126 Cb 1.28 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 1ppb h ARG 126 CO 0.47 0.22 -0.82 0.93 -1.07 0.00 0.00 179.97 179.70 1ppb h GLU 127 N 0.35 0.43 -1.38 0.04 4.39 -2.04 -1.89 114.58 114.47 1ppb h GLU 127 Ca 0.47 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1ppb h GLU 127 Cb 0.83 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1ppb h GLU 127 CO -0.51 1.04 0.00 2.41 -1.16 0.00 0.00 179.01 180.80 1ppb n THR 128 N -3.80 0.75 0.00 1.13 -1.04 -0.38 -0.72 114.28 110.22 1ppb n THR 128 Ca -0.05 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1ppb n THR 128 Cb 0.76 -0.89 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 1ppb n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ppb n ALA 129 N 0.75 0.00 -0.32 2.41 0.00 -0.71 -2.91 120.51 119.73 1ppb n ALA 129 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1ppb n ALA 129 Cb 0.34 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.15 1ppb n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ppb h SER 129 N 0.00 0.32 0.00 0.00 0.02 -1.17 -3.36 113.55 109.36 1ppb h SER 129 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1ppb h SER 129 Cb 0.00 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1ppb h SER 129 CO 0.00 -0.07 -0.89 -0.11 -1.14 0.00 0.00 176.83 174.62 1ppb n LEU 129 N -5.08 0.00 -4.35 5.07 7.94 -1.15 -4.69 117.00 114.75 1ppb n LEU 129 Ca 0.25 0.00 -0.46 0.00 -1.11 0.00 0.00 56.01 54.70 1ppb n LEU 129 Cb 0.77 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.71 1ppb n LEU 129 CO 0.10 0.00 0.72 -0.76 -1.11 0.00 0.00 177.39 176.35 1ppb s LEU 130 N -2.86 6.35 0.03 -1.96 1.43 -1.26 -4.85 118.68 115.56 1ppb s LEU 130 Ca 0.00 -3.24 0.05 0.00 -1.03 0.00 0.00 54.13 49.91 1ppb s LEU 130 Cb 0.00 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 1ppb s LEU 130 CO 0.00 -0.42 -0.15 -1.10 0.23 0.00 0.00 176.35 174.90 1ppb s GLN 131 N -0.54 1.05 0.29 1.70 -0.21 -1.26 -4.89 119.66 115.80 1ppb s GLN 131 Ca 0.28 -0.73 -0.29 0.00 0.02 0.00 0.00 55.36 54.64 1ppb s GLN 131 Cb -0.09 -1.07 -0.13 0.00 1.00 0.00 0.00 33.01 32.71 1ppb s GLN 131 CO -0.08 0.27 1.21 0.00 -2.12 0.00 0.00 175.29 174.57 1ppb n ALA 132 N 2.07 0.58 0.00 6.09 0.00 -1.26 -1.02 120.51 126.97 1ppb n ALA 132 Ca -0.17 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1ppb n ALA 132 Cb 0.55 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1ppb n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ppb n GLY 133 N 1.31 3.13 3.76 0.00 0.00 0.96 -4.96 105.19 109.40 1ppb n GLY 133 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1ppb n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ppb s TYR 134 N -1.98 3.35 0.01 1.61 1.51 -0.19 -4.63 117.35 117.03 1ppb s TYR 134 Ca 0.00 1.61 -0.13 0.00 -1.01 0.00 0.00 57.07 57.54 1ppb s TYR 134 Cb 0.00 -3.37 -0.06 0.00 -0.11 0.00 0.00 41.96 38.42 1ppb s TYR 134 CO 0.00 -0.96 0.38 0.15 -1.11 0.00 0.00 175.55 174.01 1ppb s LYS 135 N -1.78 3.83 0.00 -0.62 1.02 -1.26 -0.96 119.74 119.97 1ppb s LYS 135 Ca 0.49 0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.78 1ppb s LYS 135 Cb -0.32 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 33.84 1ppb s LYS 135 CO 0.42 0.66 0.00 0.41 -0.92 0.00 0.00 175.35 175.92 1ppb n GLY 136 N 1.56 5.87 2.84 -3.33 0.00 -0.02 -4.85 105.19 107.27 1ppb n GLY 136 Ca -0.13 -2.07 -0.16 0.00 0.00 0.00 0.00 46.02 43.67 1ppb n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ppb s ARG 137 N -0.53 0.24 -0.13 1.61 3.52 -0.53 -1.43 118.95 121.71 1ppb s ARG 137 Ca 0.00 0.04 -0.01 0.00 -0.13 0.00 0.00 55.73 55.64 1ppb s ARG 137 Cb 0.00 -0.38 -0.02 0.00 -1.56 0.00 0.00 34.95 32.99 1ppb s ARG 137 CO 0.00 -0.09 -0.11 0.08 -0.81 0.00 0.00 175.30 174.37 1ppb s VAL 138 N 0.74 3.28 0.02 7.11 1.01 0.18 -1.01 120.40 131.73 1ppb s VAL 138 Ca -0.07 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.38 1ppb s VAL 138 Cb -0.10 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1ppb s VAL 138 CO -0.01 0.53 -0.17 0.42 0.00 0.00 0.00 175.10 175.87 1ppb s THR 139 N 0.21 2.89 0.03 3.92 -4.23 -1.24 -0.47 115.64 116.75 1ppb s THR 139 Ca -0.07 -1.08 -0.27 0.00 -1.18 0.00 0.00 61.69 59.09 1ppb s THR 139 Cb -0.15 -2.21 0.09 0.00 1.34 0.00 0.00 72.50 71.58 1ppb s THR 139 CO 0.04 0.38 1.23 -0.83 -0.54 0.00 0.00 174.62 174.91 1ppb s GLY 140 N -1.32 -0.12 -0.39 3.99 0.00 -0.67 -4.60 107.32 104.21 1ppb s GLY 140 Ca 0.14 0.06 0.06 0.00 0.00 0.00 0.00 44.72 44.98 1ppb s GLY 140 CO 0.05 4.02 1.72 0.79 0.00 0.00 0.00 173.10 179.68 1ppb n TRP 141 N -0.79 2.22 -2.31 1.90 8.01 -1.26 -1.12 117.44 124.09 1ppb n TRP 141 Ca 0.00 -1.79 0.00 0.00 -1.31 0.00 0.00 57.50 54.41 1ppb n TRP 141 Cb 0.59 -0.76 0.00 0.00 -2.01 0.00 0.00 31.31 29.13 1ppb n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ppb n GLY 142 N -1.13 1.89 3.76 6.99 0.00 -1.26 -4.63 105.19 110.81 1ppb n GLY 142 Ca 0.48 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 1ppb n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ppb s ASN 143 N -1.00 6.67 0.12 1.61 0.01 -0.21 -2.84 114.94 119.31 1ppb s ASN 143 Ca 0.00 2.71 0.27 0.00 -0.71 0.00 0.00 52.86 55.14 1ppb s ASN 143 Cb 0.00 -2.64 0.99 0.00 0.41 0.00 0.00 41.25 40.01 1ppb s ASN 143 CO 0.00 -0.65 1.84 0.18 -1.51 0.00 0.00 177.10 176.96 1ppb n LEU 144 N 1.49 0.47 -3.81 0.60 4.77 0.20 0.25 117.00 120.98 1ppb n LEU 144 Ca 0.03 0.54 -0.08 0.00 -0.03 0.00 0.00 56.01 56.47 1ppb n LEU 144 Cb 0.41 -0.40 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1ppb n LEU 144 CO 0.60 -0.11 0.57 -1.59 -1.33 0.00 0.00 177.39 175.54 1ppb s LYS 145 N -3.06 2.17 -0.33 3.23 -2.85 -1.26 -4.54 119.74 113.11 1ppb s LYS 145 Ca 0.12 -1.41 -0.25 0.00 -1.00 0.00 0.00 55.97 53.43 1ppb s LYS 145 Cb 0.15 0.60 0.01 0.00 -2.06 0.00 0.00 37.83 36.53 1ppb s LYS 145 CO 0.57 -1.02 0.86 -1.21 0.10 0.00 0.00 175.35 174.65 1ppb s GLU 146 N -2.15 3.94 -0.01 1.78 2.02 -1.26 -4.89 118.70 118.13 1ppb s GLU 146 Ca 0.17 0.65 0.21 0.00 0.02 0.00 0.00 54.97 56.02 1ppb s GLU 146 Cb -0.05 -3.75 -0.25 0.00 0.10 0.00 0.00 34.13 30.18 1ppb s GLU 146 CO 0.11 -0.78 0.76 0.25 0.02 0.00 0.00 175.26 175.61 1ppb n THR 147 N 5.70 0.01 0.26 3.63 -2.24 -1.26 -4.10 114.28 116.28 1ppb n THR 147 Ca 0.06 -0.20 0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1ppb n THR 147 Cb 0.48 0.59 0.31 0.00 -2.10 0.00 0.00 70.33 69.61 1ppb n THR 147 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 1ppb n TRP 148 N -1.80 0.32 -4.14 4.78 4.27 -1.26 -4.70 117.44 114.91 1ppb n TRP 148 Ca 0.01 0.14 -0.12 0.00 -3.89 0.00 0.00 57.50 53.65 1ppb n TRP 148 Cb 0.42 -0.73 -0.11 0.00 -1.36 0.00 0.00 31.31 29.54 1ppb n TRP 148 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 1ppb s THR 149 N -3.18 0.68 0.15 -1.67 -1.32 -1.26 -5.11 115.64 103.93 1ppb s THR 149 Ca 0.02 -1.64 -0.30 0.00 -1.21 0.00 0.00 61.69 58.56 1ppb s THR 149 Cb 0.06 -1.32 -0.08 0.00 -1.51 0.00 0.00 72.50 69.65 1ppb s THR 149 CO 0.20 -0.68 1.30 0.00 -2.21 0.00 0.00 174.62 173.23 1ppb s ALA 149 N -2.79 3.51 0.17 11.08 0.00 -1.26 -4.91 121.76 127.57 1ppb s ALA 149 Ca 0.04 1.05 -0.21 0.00 0.00 0.00 0.00 51.96 52.84 1ppb s ALA 149 Cb -0.00 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.69 1ppb s ALA 149 CO -0.03 -0.52 0.58 -0.80 0.00 0.00 0.00 175.76 174.99 1ppb s ASN 149 N 0.64 -0.46 0.06 0.00 0.01 -1.26 -5.10 114.94 108.83 1ppb s ASN 149 Ca 0.59 -0.16 0.01 0.00 -0.71 0.00 0.00 52.86 52.59 1ppb s ASN 149 Cb -0.35 0.60 -0.04 0.00 0.41 0.00 0.00 41.25 41.87 1ppb s ASN 149 CO 0.34 -1.01 0.14 -0.69 -1.51 0.00 0.00 177.10 174.38 1ppb s VAL 149 N -3.79 4.96 0.00 1.60 1.01 -1.26 -5.01 120.40 117.90 1ppb s VAL 149 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1ppb s VAL 149 Cb -0.01 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1ppb s VAL 149 CO -0.09 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1ppb n GLY 149 N 0.46 2.09 3.82 4.51 0.00 -1.26 -4.97 105.19 109.83 1ppb n GLY 149 Ca -0.07 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 1ppb n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ppb s LYS 149 N -2.15 4.06 0.02 1.61 1.02 -1.26 -4.98 119.74 118.05 1ppb s LYS 149 Ca 0.00 1.15 0.24 0.00 0.02 0.00 0.00 55.97 57.38 1ppb s LYS 149 Cb 0.00 -2.15 0.27 0.00 -0.52 0.00 0.00 37.83 35.43 1ppb s LYS 149 CO 0.00 -0.18 1.24 0.41 -0.92 0.00 0.00 175.35 175.89 1ppb n GLY 150 N -0.70 -1.20 2.78 -3.33 0.00 -1.26 -4.55 105.19 96.93 1ppb n GLY 150 Ca 0.08 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 1ppb n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ppb s GLN 151 N -3.04 -0.03 0.57 1.61 -1.52 -1.26 -0.62 119.66 115.36 1ppb s GLN 151 Ca 0.09 0.19 -0.09 0.00 -1.95 0.00 0.00 55.36 53.60 1ppb s GLN 151 Cb 0.16 -0.23 -0.03 0.00 -0.22 0.00 0.00 33.01 32.69 1ppb s GLN 151 CO 0.75 -0.16 0.93 -1.25 -0.25 0.00 0.00 175.29 175.32 1ppb s PRO 152 N 1.03 3.49 0.09 2.91 0.04 -1.26 -4.91 135.00 136.39 1ppb s PRO 152 Ca -0.09 0.48 0.23 0.00 0.04 0.00 0.00 61.00 61.66 1ppb s PRO 152 Cb -0.12 -2.20 0.04 0.00 0.04 0.00 0.00 34.50 32.25 1ppb s PRO 152 CO -0.03 -0.47 1.02 -1.13 0.04 0.00 0.00 177.00 176.43 1ppb n SER 153 N -2.57 0.62 -4.18 6.66 3.41 -1.26 -4.68 113.62 111.61 1ppb n SER 153 Ca 0.04 -0.01 -0.14 0.00 -0.26 0.00 0.00 58.87 58.50 1ppb n SER 153 Cb 0.55 0.74 -0.11 0.00 -0.26 0.00 0.00 64.21 65.13 1ppb n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ppb s VAL 154 N -3.27 0.95 0.27 -3.33 1.01 -1.26 -1.15 120.40 113.62 1ppb s VAL 154 Ca 0.02 -1.70 -0.29 0.00 0.00 0.00 0.00 61.98 60.00 1ppb s VAL 154 Cb 0.13 -1.43 -0.14 0.00 0.00 0.00 0.00 36.38 34.94 1ppb s VAL 154 CO 0.80 -0.60 1.13 -0.11 0.00 0.00 0.00 175.10 176.32 1ppb n LEU 155 N 0.44 2.19 -4.51 3.92 7.94 -0.66 -4.81 117.00 121.52 1ppb n LEU 155 Ca -0.15 1.17 -0.33 0.00 -1.11 0.00 0.00 56.01 55.59 1ppb n LEU 155 Cb 0.58 -1.32 -0.12 0.00 0.53 0.00 0.00 43.42 43.08 1ppb n LEU 155 CO 0.27 -1.13 -0.42 -1.10 -1.11 0.00 0.00 177.39 173.91 1ppb s GLN 156 N -1.26 2.77 -0.10 1.96 -1.52 -0.27 -0.85 119.66 120.39 1ppb s GLN 156 Ca 0.62 -0.62 0.02 0.00 -1.95 0.00 0.00 55.36 53.42 1ppb s GLN 156 Cb -0.70 -2.52 -0.02 0.00 -0.22 0.00 0.00 33.01 29.55 1ppb s GLN 156 CO 0.58 0.57 -0.16 0.08 -0.25 0.00 0.00 175.29 176.11 1ppb s VAL 157 N -0.57 2.87 0.02 1.09 1.01 0.35 -1.67 120.40 123.50 1ppb s VAL 157 Ca 0.08 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1ppb s VAL 157 Cb -0.12 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1ppb s VAL 157 CO 0.02 0.55 -0.09 0.54 0.00 0.00 0.00 175.10 176.12 1ppb s VAL 158 N -0.00 0.65 -0.29 2.92 0.11 0.38 -2.32 120.40 121.85 1ppb s VAL 158 Ca -0.05 -0.75 -0.06 0.00 -2.93 0.00 0.00 61.98 58.19 1ppb s VAL 158 Cb -0.14 -0.62 0.01 0.00 -1.53 0.00 0.00 36.38 34.10 1ppb s VAL 158 CO 0.04 -0.10 0.06 0.20 -3.33 0.00 0.00 175.10 171.98 1ppb s ASN 159 N -0.93 5.03 0.10 3.54 -0.87 -1.26 0.47 114.94 121.01 1ppb s ASN 159 Ca -0.03 -0.76 0.02 0.00 -1.57 0.00 0.00 52.86 50.52 1ppb s ASN 159 Cb -0.07 -1.85 -0.04 0.00 -0.02 0.00 0.00 41.25 39.28 1ppb s ASN 159 CO 0.00 -0.19 -0.08 -1.48 -2.57 0.00 0.00 177.10 172.79 1ppb s LEU 160 N 1.47 2.47 0.38 0.60 0.05 -0.52 -4.92 118.68 118.21 1ppb s LEU 160 Ca 0.02 -0.93 -0.24 0.00 0.05 0.00 0.00 54.13 53.02 1ppb s LEU 160 Cb -0.17 -0.14 -0.10 0.00 -2.05 0.00 0.00 46.19 43.72 1ppb s LEU 160 CO 0.01 -0.40 0.98 -2.16 -0.55 0.00 0.00 176.35 174.24 1ppb s PRO 161 N -3.46 4.35 0.35 1.48 0.04 -1.26 -0.84 135.00 135.67 1ppb s PRO 161 Ca 0.09 1.32 -0.28 0.00 0.04 0.00 0.00 61.00 62.17 1ppb s PRO 161 Cb 0.02 -2.53 -0.10 0.00 0.04 0.00 0.00 34.50 31.93 1ppb s PRO 161 CO -0.03 0.06 1.34 0.42 0.04 0.00 0.00 177.00 178.82 1ppb s ILE 162 N -1.80 2.58 0.21 0.56 1.09 -0.14 -1.36 121.20 122.34 1ppb s ILE 162 Ca 0.56 0.57 0.07 0.00 -1.10 0.00 0.00 60.65 60.76 1ppb s ILE 162 Cb -0.17 -3.36 -0.04 0.00 -1.06 0.00 0.00 42.46 37.83 1ppb s ILE 162 CO 0.22 0.13 0.08 -0.69 -0.10 0.00 0.00 174.94 174.57 1ppb s VAL 163 N -1.16 4.00 0.30 2.92 1.01 -1.17 -0.03 120.40 126.27 1ppb s VAL 163 Ca 0.51 -1.46 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 1ppb s VAL 163 Cb -0.41 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 1ppb s VAL 163 CO 0.54 -0.23 0.81 -1.83 0.00 0.00 0.00 175.10 174.39 1ppb s GLU 164 N -3.37 4.27 0.26 2.72 1.03 -1.26 -4.69 118.70 117.66 1ppb s GLU 164 Ca 0.30 0.97 -0.04 0.00 0.03 0.00 0.00 54.97 56.23 1ppb s GLU 164 Cb -0.08 -2.66 0.53 0.00 -0.80 0.00 0.00 34.13 31.11 1ppb s GLU 164 CO 0.21 0.26 1.65 0.00 -1.33 0.00 0.00 175.26 176.05 1ppb h ARG 165 N 2.89 0.17 -0.77 -4.83 3.08 -1.98 -1.84 114.38 111.10 1ppb h ARG 165 Ca -0.48 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 59.70 1ppb h ARG 165 Cb 1.19 -0.04 -0.14 0.00 0.08 0.00 0.00 29.97 31.06 1ppb h ARG 165 CO 0.65 0.12 -0.28 -1.35 -1.07 0.00 0.00 179.97 178.03 1ppb h PRO 166 N 0.18 -0.05 -0.23 0.04 0.11 -1.98 0.20 132.00 130.26 1ppb h PRO 166 Ca 0.46 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.53 1ppb h PRO 166 Cb 0.84 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1ppb h PRO 166 CO -0.62 -0.04 -0.01 0.28 -0.21 0.00 0.00 178.00 177.40 1ppb h VAL 167 N -0.06 1.26 -0.15 3.15 2.07 -1.76 -2.17 116.25 118.60 1ppb h VAL 167 Ca 0.33 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.97 1ppb h VAL 167 Cb 0.58 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1ppb h VAL 167 CO -0.81 0.29 -0.18 0.00 0.02 0.00 0.00 177.57 176.89 1ppb h LYS 169 N -0.21 0.00 -0.61 0.00 3.64 -0.64 -2.19 116.57 116.57 1ppb h LYS 169 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1ppb h LYS 169 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1ppb h LYS 169 CO -0.27 0.09 0.00 -0.40 -2.27 0.00 0.00 179.45 176.60 1ppb n ASP 170 N -3.74 3.64 0.04 4.20 5.75 -0.82 -3.84 116.55 121.77 1ppb n ASP 170 Ca -0.02 -1.99 0.12 0.00 -0.01 0.00 0.00 54.79 52.89 1ppb n ASP 170 Cb 0.20 -0.40 0.20 0.00 -1.03 0.00 0.00 41.12 40.09 1ppb n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1ppb n SER 171 N 1.33 0.60 -4.08 -1.12 3.41 -0.80 -4.94 113.62 108.03 1ppb n SER 171 Ca 0.21 -0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.73 1ppb n SER 171 Cb 0.57 0.20 -0.10 0.00 -0.26 0.00 0.00 64.21 64.62 1ppb n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ppb s THR 172 N -3.11 0.25 -2.66 6.66 -1.32 -1.24 -4.89 115.64 109.34 1ppb s THR 172 Ca 0.08 -1.65 0.21 0.00 -1.21 0.00 0.00 61.69 59.12 1ppb s THR 172 Cb 0.15 -1.30 0.19 0.00 -1.51 0.00 0.00 72.50 70.03 1ppb s THR 172 CO 0.71 -0.89 1.19 0.54 -2.21 0.00 0.00 174.62 173.97 1ppb n ARG 173 N 0.38 2.02 -2.60 7.08 1.74 -1.26 -4.88 116.66 119.14 1ppb n ARG 173 Ca -0.16 -1.81 -0.40 0.00 -0.77 0.00 0.00 57.85 54.71 1ppb n ARG 173 Cb 0.60 -1.42 -0.05 0.00 -1.02 0.00 0.00 32.46 30.57 1ppb n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ppb s ILE 174 N -1.76 3.81 -0.12 0.55 1.01 -1.26 -4.99 121.20 118.44 1ppb s ILE 174 Ca 0.26 1.76 -0.29 0.00 0.00 0.00 0.00 60.65 62.38 1ppb s ILE 174 Cb 0.18 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1ppb s ILE 174 CO 0.27 0.40 1.75 -0.60 0.00 0.00 0.00 174.94 176.76 1ppb s ARG 175 N -1.12 3.92 0.48 2.79 3.52 -1.26 -5.00 118.95 122.26 1ppb s ARG 175 Ca 0.44 2.04 -0.09 0.00 -0.13 0.00 0.00 55.73 57.99 1ppb s ARG 175 Cb -0.29 -4.07 -0.05 0.00 -1.56 0.00 0.00 34.95 28.97 1ppb s ARG 175 CO 0.36 -1.17 0.83 0.42 -0.81 0.00 0.00 175.30 174.94 1ppb s ILE 176 N 5.01 4.80 0.05 4.11 -1.09 -1.26 -4.81 121.20 128.01 1ppb s ILE 176 Ca 0.78 0.55 -0.05 0.00 -2.23 0.00 0.00 60.65 59.70 1ppb s ILE 176 Cb -0.32 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 36.75 1ppb s ILE 176 CO 0.32 -0.76 0.09 -0.89 -1.23 0.00 0.00 174.94 172.47 1ppb s THR 177 N -2.66 0.15 0.33 2.92 2.01 -1.26 -5.04 115.64 112.09 1ppb s THR 177 Ca 0.51 -1.27 0.29 0.00 0.31 0.00 0.00 61.69 61.53 1ppb s THR 177 Cb -0.10 -1.13 0.29 0.00 0.01 0.00 0.00 72.50 71.57 1ppb s THR 177 CO 0.40 -0.70 1.87 0.44 -0.69 0.00 0.00 174.62 175.94 1ppb h ASP 178 N 3.35 0.00 -0.38 3.53 5.19 -2.02 -2.27 116.42 123.81 1ppb h ASP 178 Ca -0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1ppb h ASP 178 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1ppb h ASP 178 CO 0.55 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 177.26 1ppb n ASN 179 N -2.63 2.15 -4.12 6.45 3.02 -1.26 -4.88 115.26 114.00 1ppb n ASN 179 Ca -0.02 -2.04 -0.20 0.00 -0.03 0.00 0.00 54.58 52.29 1ppb n ASN 179 Cb 0.19 -0.28 -0.14 0.00 -0.61 0.00 0.00 39.78 38.94 1ppb n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ppb s MET 180 N -1.52 0.97 0.18 3.52 -1.94 -0.85 -0.34 119.30 119.31 1ppb s MET 180 Ca 0.26 -0.64 0.05 0.00 -1.71 0.00 0.00 55.69 53.64 1ppb s MET 180 Cb 0.14 -0.96 -0.05 0.00 2.01 0.00 0.00 34.83 35.98 1ppb s MET 180 CO 0.17 0.25 -0.08 -0.59 -0.01 0.00 0.00 175.02 174.75 1ppb s PHE 181 N -0.65 1.42 0.25 -0.03 -0.12 -0.19 -4.77 117.98 113.90 1ppb s PHE 181 Ca 0.03 -0.77 0.10 0.00 -0.05 0.00 0.00 56.93 56.24 1ppb s PHE 181 Cb -0.07 -0.74 -0.05 0.00 -0.63 0.00 0.00 43.02 41.53 1ppb s PHE 181 CO 0.01 0.10 -0.11 0.00 -0.05 0.00 0.00 175.22 175.17 1ppb s ALA 183 N -2.24 -0.89 0.00 0.00 0.00 -0.80 -3.03 121.76 114.79 1ppb s ALA 183 Ca 0.29 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1ppb s ALA 183 Cb -0.06 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1ppb s ALA 183 CO 0.17 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1ppb n GLY 184 N 0.83 2.89 3.73 0.00 0.00 -0.47 -1.93 105.19 110.24 1ppb n GLY 184 Ca -0.20 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1ppb n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ppb s TYR 184 N -2.00 3.78 0.53 1.61 2.02 -1.26 -4.55 117.35 117.49 1ppb s TYR 184 Ca 0.00 1.74 -0.22 0.00 -0.37 0.00 0.00 57.07 58.22 1ppb s TYR 184 Cb 0.00 -3.03 -0.06 0.00 -0.40 0.00 0.00 41.96 38.47 1ppb s TYR 184 CO 0.00 0.19 1.33 1.63 -1.57 0.00 0.00 175.55 177.13 1ppb n LYS 185 N 2.93 1.70 0.08 -0.62 4.01 -1.26 -4.75 118.16 120.25 1ppb n LYS 185 Ca 0.02 0.62 0.21 0.00 -0.51 0.00 0.00 58.31 58.65 1ppb n LYS 185 Cb 0.50 -2.54 0.74 0.00 -0.51 0.00 0.00 35.03 33.22 1ppb n LYS 185 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 1ppb h PRO 186 N 1.49 0.00 -0.40 1.97 0.11 -1.95 -1.51 132.00 131.71 1ppb h PRO 186 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ppb h PRO 186 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1ppb h PRO 186 CO 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 1ppb n ASP 186 N -3.78 2.54 -0.49 -2.05 5.68 -1.26 -4.23 116.55 112.95 1ppb n ASP 186 Ca 0.08 -1.93 0.13 0.00 -0.50 0.00 0.00 54.79 52.57 1ppb n ASP 186 Cb 0.62 -0.26 0.32 0.00 -1.14 0.00 0.00 41.12 40.66 1ppb n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ppb n GLU 186 N 0.88 1.45 0.00 0.11 1.02 -0.57 -4.97 120.64 118.56 1ppb n GLU 186 Ca 0.17 -0.99 0.00 0.00 -0.02 0.00 0.00 57.16 56.32 1ppb n GLU 186 Cb 0.43 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1ppb n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ppb n GLY 186 N 1.30 1.56 3.91 0.62 0.00 -1.26 -4.94 105.19 106.38 1ppb n GLY 186 Ca 0.14 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1ppb n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ppb s LYS 186 N 0.00 3.32 0.28 1.61 1.02 -1.26 -5.11 119.74 119.60 1ppb s LYS 186 Ca 0.00 0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.17 1ppb s LYS 186 Cb 0.00 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.95 1ppb s LYS 186 CO 0.00 -0.40 0.18 1.03 -0.92 0.00 0.00 175.35 175.23 1ppb s ARG 187 N -4.85 1.52 0.00 1.68 0.52 -1.26 -4.71 118.95 111.85 1ppb s ARG 187 Ca 0.50 -1.86 0.00 0.00 -0.52 0.00 0.00 55.73 53.85 1ppb s ARG 187 Cb -0.10 0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.45 1ppb s ARG 187 CO 0.45 -0.47 0.00 0.41 0.02 0.00 0.00 175.30 175.71 1ppb n GLY 188 N -0.51 4.06 3.55 -3.53 0.00 -1.26 -4.93 105.19 102.57 1ppb n GLY 188 Ca 0.03 -1.56 -0.06 0.00 0.00 0.00 0.00 46.02 44.42 1ppb n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ppb s ASP 189 N 0.00 -0.26 1.16 1.61 2.15 -0.73 -4.69 116.67 115.92 1ppb s ASP 189 Ca 0.00 -0.02 -0.19 0.00 0.43 0.00 0.00 52.55 52.77 1ppb s ASP 189 Cb 0.00 0.28 0.27 0.00 -0.30 0.00 0.00 42.92 43.18 1ppb s ASP 189 CO 0.00 -0.47 1.15 0.00 -0.17 0.00 0.00 175.17 175.68 1ppb s ALA 190 N -2.82 0.89 0.15 3.66 0.00 -1.26 -1.22 121.76 121.16 1ppb s ALA 190 Ca 0.07 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 1ppb s ALA 190 Cb -0.01 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.27 1ppb s ALA 190 CO -0.07 -3.40 0.30 0.00 0.00 0.00 0.00 175.76 172.60 1ppb s GLU 192 N -2.06 4.20 0.00 0.00 0.41 -1.26 -2.50 118.70 117.49 1ppb s GLU 192 Ca 0.07 2.12 0.00 0.00 -0.41 0.00 0.00 54.97 56.74 1ppb s GLU 192 Cb -0.02 -2.91 0.00 0.00 -1.78 0.00 0.00 34.13 29.42 1ppb s GLU 192 CO 0.05 -0.29 0.00 0.41 -0.49 0.00 0.00 175.26 174.94 1ppb n GLY 193 N 0.75 3.32 0.15 -1.39 0.00 -1.26 -1.04 105.19 105.73 1ppb n GLY 193 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1ppb n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ppb h ASP 194 N 0.00 0.00 -3.15 1.61 3.32 -1.80 -3.34 116.42 113.05 1ppb h ASP 194 Ca 0.00 -0.01 -0.58 0.00 0.02 0.00 0.00 57.03 56.46 1ppb h ASP 194 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 1ppb h ASP 194 CO 0.00 0.01 0.35 -1.20 -1.72 0.00 0.00 179.24 176.68 1ppb n SER 195 N -2.65 2.10 0.00 6.45 7.64 -1.26 -2.06 113.62 123.83 1ppb n SER 195 Ca 0.04 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1ppb n SER 195 Cb 0.48 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1ppb n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ppb n GLY 196 N 0.96 2.70 3.81 0.23 0.00 -0.36 -0.89 105.19 111.63 1ppb n GLY 196 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1ppb n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ppb s GLY 197 N -2.10 2.20 0.25 -0.02 0.00 -0.88 -3.27 107.32 103.50 1ppb s GLY 197 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 44.72 44.83 1ppb s GLY 197 CO 0.00 0.72 1.04 2.56 0.00 0.00 0.00 173.10 177.41 1ppb s PRO 198 N -3.89 4.72 -0.39 2.90 0.04 -1.26 -0.72 135.00 136.40 1ppb s PRO 198 Ca 0.64 1.67 -0.19 0.00 0.04 0.00 0.00 61.00 63.16 1ppb s PRO 198 Cb -0.15 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.16 1ppb s PRO 198 CO 0.32 0.31 0.55 0.12 0.04 0.00 0.00 177.00 178.35 1ppb s PHE 199 N -1.06 3.14 0.29 0.56 2.19 0.59 -3.71 117.98 119.97 1ppb s PHE 199 Ca 0.44 0.05 0.10 0.00 0.33 0.00 0.00 56.93 57.84 1ppb s PHE 199 Cb -0.29 -3.07 -0.05 0.00 -1.31 0.00 0.00 43.02 38.30 1ppb s PHE 199 CO 0.37 -0.67 -0.02 0.14 1.83 0.00 0.00 175.22 176.87 1ppb s VAL 200 N 2.52 3.06 -0.06 3.12 -7.23 -0.18 -0.54 120.40 121.09 1ppb s VAL 200 Ca 0.19 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.31 1ppb s VAL 200 Cb -0.15 -2.75 0.01 0.00 0.56 0.00 0.00 36.38 34.05 1ppb s VAL 200 CO 0.15 -0.32 0.17 -0.04 -0.31 0.00 0.00 175.10 174.75 1ppb s MET 201 N -3.67 0.23 -0.27 4.82 -1.94 -0.58 -1.45 119.30 116.45 1ppb s MET 201 Ca 0.32 0.16 -0.14 0.00 -1.71 0.00 0.00 55.69 54.33 1ppb s MET 201 Cb -0.04 0.11 -0.04 0.00 2.01 0.00 0.00 34.83 36.87 1ppb s MET 201 CO 0.19 -0.03 0.33 0.21 -0.01 0.00 0.00 175.02 175.71 1ppb s LYS 202 N -0.08 4.01 0.01 2.03 2.20 -1.26 -1.13 119.74 125.52 1ppb s LYS 202 Ca -0.02 -0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.26 1ppb s LYS 202 Cb -0.02 -3.65 -0.06 0.00 -1.51 0.00 0.00 37.83 32.59 1ppb s LYS 202 CO 0.00 -0.23 1.53 0.45 -0.36 0.00 0.00 175.35 176.74 1ppb s SER 203 N 1.61 6.74 0.00 1.43 0.15 -0.87 -4.94 113.70 117.82 1ppb s SER 203 Ca 0.13 2.25 0.00 0.00 0.70 0.00 0.00 55.95 59.03 1ppb s SER 203 Cb -0.16 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1ppb s SER 203 CO 0.10 -0.81 0.47 -0.81 1.20 0.00 0.00 173.24 173.38 1ppb n PRO 204 N 5.78 0.58 0.00 5.44 -0.04 -1.26 -3.84 135.00 141.65 1ppb n PRO 204 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1ppb n PRO 204 Cb 0.42 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1ppb n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ppb n PHE 204 N -0.23 0.00 -1.61 0.54 3.72 -1.26 -4.88 117.46 113.74 1ppb n PHE 204 Ca 0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.09 1ppb n PHE 204 Cb 0.06 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.64 1ppb n PHE 204 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1ppb s ASN 204 N -1.71 5.42 -0.65 4.37 6.03 -1.26 -5.05 114.94 122.09 1ppb s ASN 204 Ca 0.00 1.63 0.05 0.00 -1.03 0.00 0.00 52.86 53.51 1ppb s ASN 204 Cb 0.00 -2.50 0.29 0.00 -3.03 0.00 0.00 41.25 36.01 1ppb s ASN 204 CO 0.00 -1.42 0.90 -0.46 -2.03 0.00 0.00 177.10 174.10 1ppb n ASN 205 N -3.04 4.31 -4.55 3.54 6.94 -1.25 -4.42 115.26 116.79 1ppb n ASN 205 Ca 0.08 -3.55 -0.34 0.00 -0.02 0.00 0.00 54.58 50.75 1ppb n ASN 205 Cb 0.53 -0.67 -0.12 0.00 -2.36 0.00 0.00 39.78 37.16 1ppb n ASN 205 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1ppb s ARG 206 N -2.95 2.68 0.20 -3.83 0.52 -1.26 -4.85 118.95 109.46 1ppb s ARG 206 Ca 0.43 -0.59 -0.30 0.00 -0.52 0.00 0.00 55.73 54.75 1ppb s ARG 206 Cb 0.20 -2.53 -0.08 0.00 0.52 0.00 0.00 34.95 33.06 1ppb s ARG 206 CO -0.06 0.65 0.97 -1.58 0.02 0.00 0.00 175.30 175.31 1ppb s TRP 207 N -0.78 3.87 -0.01 -0.53 0.52 -1.26 -2.06 118.94 118.68 1ppb s TRP 207 Ca 0.12 1.84 0.07 0.00 0.02 0.00 0.00 56.10 58.15 1ppb s TRP 207 Cb -0.11 -3.05 -0.02 0.00 -1.15 0.00 0.00 33.47 29.14 1ppb s TRP 207 CO 0.01 0.21 -0.23 0.71 0.02 0.00 0.00 176.95 177.67 1ppb s TYR 208 N -0.73 2.02 -0.32 -1.98 1.51 -0.29 -2.52 117.35 115.04 1ppb s TYR 208 Ca 0.44 -0.38 -0.24 0.00 -1.01 0.00 0.00 57.07 55.87 1ppb s TYR 208 Cb -0.26 -1.29 0.01 0.00 -0.11 0.00 0.00 41.96 40.31 1ppb s TYR 208 CO 0.32 -0.01 0.84 -1.14 -1.11 0.00 0.00 175.55 174.45 1ppb s GLN 209 N -0.63 3.94 -0.20 -0.62 0.74 0.45 -1.52 119.66 121.82 1ppb s GLN 209 Ca 0.09 0.61 0.14 0.00 0.05 0.00 0.00 55.36 56.25 1ppb s GLN 209 Cb -0.09 -3.75 -0.23 0.00 1.10 0.00 0.00 33.01 30.04 1ppb s GLN 209 CO -0.00 -0.76 0.05 -1.33 -0.55 0.00 0.00 175.29 172.70 1ppb n MET 210 N 6.37 0.68 -4.10 1.67 2.81 0.29 -4.17 117.12 120.68 1ppb n MET 210 Ca 0.05 0.05 -0.11 0.00 -1.81 0.00 0.00 57.70 55.88 1ppb n MET 210 Cb 0.48 -1.54 -0.08 0.00 -0.71 0.00 0.00 33.22 31.37 1ppb n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ppb s GLY 211 N -5.68 0.99 -0.08 3.03 0.00 -0.68 -2.21 107.32 102.69 1ppb s GLY 211 Ca -0.15 -1.30 0.04 0.00 0.00 0.00 0.00 44.72 43.30 1ppb s GLY 211 CO 0.78 -1.05 -0.19 -0.42 0.00 0.00 0.00 173.10 172.22 1ppb s ILE 212 N -4.08 2.56 -0.15 0.90 1.01 -0.70 -0.30 121.20 120.43 1ppb s ILE 212 Ca 0.30 -0.87 -0.32 0.00 0.00 0.00 0.00 60.65 59.76 1ppb s ILE 212 Cb 0.04 -2.00 -0.09 0.00 0.01 0.00 0.00 42.46 40.42 1ppb s ILE 212 CO 0.09 0.56 2.06 0.52 0.00 0.00 0.00 174.94 178.17 1ppb n VAL 213 N 3.05 0.48 -0.02 2.92 0.31 0.10 -1.55 118.33 123.62 1ppb n VAL 213 Ca -0.18 -0.25 -0.03 0.00 -0.01 0.00 0.00 64.34 63.87 1ppb n VAL 213 Cb 0.52 -2.14 -0.01 0.00 -0.91 0.00 0.00 33.84 31.30 1ppb n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ppb n SER 214 N 8.96 1.07 -3.52 4.52 2.88 -0.69 -1.22 113.62 125.62 1ppb n SER 214 Ca 0.28 0.17 -0.10 0.00 -1.33 0.00 0.00 58.87 57.88 1ppb n SER 214 Cb 0.35 -0.48 -0.02 0.00 -0.75 0.00 0.00 64.21 63.31 1ppb n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ppb s TRP 215 N -2.02 0.35 -0.06 0.66 1.48 -0.89 -4.90 118.94 113.56 1ppb s TRP 215 Ca -0.11 -0.79 -0.30 0.00 -1.06 0.00 0.00 56.10 53.84 1ppb s TRP 215 Cb 0.02 0.40 0.10 0.00 -1.16 0.00 0.00 33.47 32.83 1ppb s TRP 215 CO 0.16 -1.23 1.34 0.20 -4.06 0.00 0.00 176.95 173.37 1ppb s GLY 216 N -3.06 -0.22 -0.10 3.67 0.00 -1.26 -1.02 107.32 105.33 1ppb s GLY 216 Ca 0.20 0.22 -0.02 0.00 0.00 0.00 0.00 44.72 45.12 1ppb s GLY 216 CO 0.12 5.44 0.03 -0.54 0.00 0.00 0.00 173.10 178.15 1ppb s GLU 217 N -2.03 0.39 0.93 2.90 2.02 -1.26 -5.03 118.70 116.63 1ppb s GLU 217 Ca 0.29 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.33 1ppb s GLU 217 Cb 0.01 -1.17 0.00 0.00 0.10 0.00 0.00 34.13 33.07 1ppb s GLU 217 CO -0.02 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.25 1ppb n GLY 219 N 5.18 0.71 2.93 -1.39 0.00 -1.26 -4.72 105.19 106.64 1ppb n GLY 219 Ca -0.06 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 1ppb n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ppb n ASP 221 N 3.07 -1.81 -4.81 0.00 2.03 -1.26 -4.85 116.55 108.92 1ppb n ASP 221 Ca -0.12 -1.23 -0.36 0.00 0.52 0.00 0.00 54.79 53.60 1ppb n ASP 221 Cb 0.59 -1.72 -0.06 0.00 -0.72 0.00 0.00 41.12 39.21 1ppb n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ppb s ARG 221 N -7.22 4.33 0.20 -0.67 0.52 -1.26 -4.96 118.95 109.89 1ppb s ARG 221 Ca 0.78 1.01 -0.31 0.00 -0.52 0.00 0.00 55.73 56.69 1ppb s ARG 221 Cb -0.45 -2.77 -0.10 0.00 0.52 0.00 0.00 34.95 32.15 1ppb s ARG 221 CO 1.02 0.31 1.55 -0.51 0.02 0.00 0.00 175.30 177.69 1ppb s ASP 222 N -1.73 6.57 0.00 0.23 1.01 -1.26 -2.11 116.67 119.38 1ppb s ASP 222 Ca 0.48 2.67 0.00 0.00 0.71 0.00 0.00 52.55 56.41 1ppb s ASP 222 Cb -0.16 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.16 1ppb s ASP 222 CO 0.21 -0.81 0.00 0.61 0.21 0.00 0.00 175.17 175.39 1ppb n GLY 223 N 3.27 0.50 3.55 0.21 0.00 -1.26 -5.02 105.19 106.45 1ppb n GLY 223 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1ppb n GLY 223 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ppb s LYS 224 N -0.05 1.99 0.05 1.61 2.47 -0.90 -4.75 119.74 120.17 1ppb s LYS 224 Ca 0.00 -1.40 0.05 0.00 -1.56 0.00 0.00 55.97 53.05 1ppb s LYS 224 Cb 0.00 -2.07 -0.02 0.00 -1.46 0.00 0.00 37.83 34.28 1ppb s LYS 224 CO 0.00 0.40 -0.13 0.71 0.16 0.00 0.00 175.35 176.49 1ppb s TYR 225 N -1.95 1.15 0.18 4.03 2.02 -1.26 -4.74 117.35 116.78 1ppb s TYR 225 Ca 0.26 -0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 56.28 1ppb s TYR 225 Cb -0.08 -0.67 -0.07 0.00 -0.40 0.00 0.00 41.96 40.74 1ppb s TYR 225 CO 0.15 0.03 0.99 0.20 -1.57 0.00 0.00 175.55 175.36 1ppb s GLY 226 N -1.29 3.01 -0.11 0.71 0.00 -0.82 -4.67 107.32 104.17 1ppb s GLY 226 Ca -0.00 0.66 -0.05 0.00 0.00 0.00 0.00 44.72 45.33 1ppb s GLY 226 CO 0.01 1.42 0.09 -1.36 0.00 0.00 0.00 173.10 173.26 1ppb s PHE 227 N -0.51 3.43 -0.02 1.90 0.40 -0.19 -1.90 117.98 121.09 1ppb s PHE 227 Ca 0.45 0.40 0.06 0.00 -0.60 0.00 0.00 56.93 57.24 1ppb s PHE 227 Cb -0.26 -1.88 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 1ppb s PHE 227 CO 0.32 0.64 -0.19 0.71 0.70 0.00 0.00 175.22 177.40 1ppb s TYR 228 N -0.98 1.76 0.24 0.36 1.51 0.56 -1.70 117.35 119.09 1ppb s TYR 228 Ca 0.14 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 1ppb s TYR 228 Cb -0.12 -1.15 -0.09 0.00 -0.11 0.00 0.00 41.96 40.49 1ppb s TYR 228 CO 0.04 -0.07 1.29 0.99 -1.11 0.00 0.00 175.55 176.68 1ppb s THR 229 N -0.32 3.12 -0.67 -0.71 2.01 -0.60 -1.02 115.64 117.46 1ppb s THR 229 Ca 0.04 0.98 -0.20 0.00 0.31 0.00 0.00 61.69 62.82 1ppb s THR 229 Cb -0.09 -3.63 0.10 0.00 0.01 0.00 0.00 72.50 68.89 1ppb s THR 229 CO 0.00 0.17 0.86 -2.28 -0.69 0.00 0.00 174.62 172.69 1ppb s HIS 230 N -0.28 2.89 0.19 4.92 2.46 0.53 -1.72 115.29 124.28 1ppb s HIS 230 Ca 0.54 -0.87 -0.11 0.00 0.47 0.00 0.00 55.06 55.09 1ppb s HIS 230 Cb -0.37 -4.16 0.11 0.00 -0.13 0.00 0.00 32.58 28.03 1ppb s HIS 230 CO 0.42 -1.46 1.79 0.28 -2.47 0.00 0.00 174.74 173.30 1ppb h VAL 231 N 5.91 1.21 -0.10 0.89 2.07 -1.76 -2.58 116.25 121.89 1ppb h VAL 231 Ca -0.23 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 1ppb h VAL 231 Cb 1.07 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1ppb h VAL 231 CO 1.13 0.23 -0.15 0.15 0.02 0.00 0.00 177.57 178.95 1ppb h PHE 232 N 0.90 0.17 0.00 1.57 3.57 -1.87 -1.57 116.94 119.71 1ppb h PHE 232 Ca 0.23 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1ppb h PHE 232 Cb 0.06 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1ppb h PHE 232 CO -0.00 0.32 0.00 0.00 -2.23 0.00 0.00 178.31 176.39 1ppb h ARG 233 N 0.16 0.00 -0.39 1.11 3.08 -1.82 -2.90 114.38 113.61 1ppb h ARG 233 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ppb h ARG 233 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1ppb h ARG 233 CO 0.02 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.20 1ppb n LEU 234 N -3.06 3.21 0.23 3.04 4.77 -0.67 -4.58 117.00 119.95 1ppb n LEU 234 Ca 0.02 -1.67 0.06 0.00 -0.03 0.00 0.00 56.01 54.39 1ppb n LEU 234 Cb 0.37 -0.26 0.54 0.00 -2.33 0.00 0.00 43.42 41.73 1ppb n LEU 234 CO 0.29 0.74 0.91 0.50 -1.33 0.00 0.00 177.39 178.50 1ppb h LYS 235 N 3.46 0.00 -0.35 3.23 3.64 -1.14 -1.66 116.57 123.76 1ppb h LYS 235 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1ppb h LYS 235 Cb 0.85 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 1ppb h LYS 235 CO 0.00 0.17 0.23 0.87 -2.27 0.00 0.00 179.45 178.46 1ppb h LYS 236 N 0.00 0.34 0.19 1.90 1.57 -1.82 -0.22 116.57 118.54 1ppb h LYS 236 Ca -0.00 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.45 1ppb h LYS 236 Cb 0.32 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.58 1ppb h LYS 236 CO 0.02 0.23 -1.45 2.35 -0.57 0.00 0.00 179.45 180.03 1ppb h TRP 237 N 0.35 0.75 -0.08 -1.35 7.01 -1.67 -1.85 115.95 119.11 1ppb h TRP 237 Ca 0.14 -0.55 0.04 0.00 2.11 0.00 0.00 58.89 60.63 1ppb h TRP 237 Cb 0.13 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.11 1ppb h TRP 237 CO -0.00 1.56 -0.20 0.82 -2.79 0.00 0.00 178.44 177.83 1ppb h ILE 238 N -0.02 0.51 -0.18 2.65 2.04 -1.02 -0.95 117.51 120.54 1ppb h ILE 238 Ca -0.28 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1ppb h ILE 238 Cb 2.00 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1ppb h ILE 238 CO 0.19 0.00 0.10 1.56 0.00 0.00 0.00 178.15 180.00 1ppb h GLN 239 N -0.28 0.25 -0.64 2.37 4.20 -1.07 -0.45 115.11 119.49 1ppb h GLN 239 Ca 0.08 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.80 1ppb h GLN 239 Cb 0.40 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 1ppb h GLN 239 CO -0.24 0.23 0.42 -0.22 -0.67 0.00 0.00 178.83 178.35 1ppb h LYS 240 N 0.19 0.73 0.18 1.46 1.63 -1.19 -1.04 116.57 118.53 1ppb h LYS 240 Ca 0.06 -0.04 -0.31 0.00 -0.85 0.00 0.00 60.65 59.51 1ppb h LYS 240 Cb 0.06 -0.16 0.02 0.00 -0.60 0.00 0.00 32.23 31.54 1ppb h LYS 240 CO -0.01 0.48 -1.49 -0.39 -3.45 0.00 0.00 179.45 174.60 1ppb h VAL 241 N 0.75 1.12 -0.75 2.00 -1.51 -0.68 -3.30 116.25 113.87 1ppb h VAL 241 Ca 0.26 -2.53 0.11 0.00 -1.23 0.00 0.00 66.70 63.30 1ppb h VAL 241 Cb 0.09 2.88 -0.08 0.00 -2.13 0.00 0.00 31.29 32.05 1ppb h VAL 241 CO -0.07 0.79 0.38 0.40 -1.23 0.00 0.00 177.57 177.84 1ppb h ILE 242 N -0.04 0.82 -0.40 7.19 2.04 -0.94 -2.80 117.51 123.38 1ppb h ILE 242 Ca -0.29 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1ppb h ILE 242 Cb 1.98 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1ppb h ILE 242 CO 0.17 0.11 0.00 0.47 0.00 0.00 0.00 178.15 178.90 1ppb n ASP 243 N -4.86 2.51 -0.07 1.72 9.92 -0.41 -4.47 116.55 120.88 1ppb n ASP 243 Ca 0.13 -1.93 -0.13 0.00 -0.53 0.00 0.00 54.79 52.33 1ppb n ASP 243 Cb 0.31 -0.26 -0.06 0.00 -0.64 0.00 0.00 41.12 40.47 1ppb n ASP 243 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 1ppb h GLN 244 N 2.95 0.46 -6.44 -1.24 5.75 -1.57 -3.43 115.11 111.59 1ppb h GLN 244 Ca 0.00 -0.23 -0.63 0.00 -0.15 0.00 0.00 58.65 57.65 1ppb h GLN 244 Cb 0.66 -0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.06 1ppb h GLN 244 CO 0.00 0.78 -0.75 -0.06 -2.65 0.00 0.00 178.83 176.16 1ppb s PHE 245 N -4.43 2.51 0.51 3.99 0.08 -1.26 -5.13 117.98 114.25 1ppb s PHE 245 Ca -0.14 -0.27 0.08 0.00 0.12 0.00 0.00 56.93 56.73 1ppb s PHE 245 Cb 0.06 -1.20 0.05 0.00 -0.57 0.00 0.00 43.02 41.37 1ppb s PHE 245 CO 0.77 0.54 0.70 0.20 -0.10 0.00 0.00 175.22 177.34 1ppb s GLY 246 N -2.95 1.83 0.00 4.36 0.00 -1.26 -5.07 107.32 104.23 1ppb s GLY 246 Ca 0.25 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 43.06 1ppb s GLY 246 CO 0.14 -1.57 0.43 1.18 0.00 0.00 0.00 173.10 173.28