#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxj n SER 0 N 0.00 1.46 -0.02 0.00 2.88 -1.26 -5.02 113.62 111.66 1sxj n SER 0 Ca 0.00 -0.48 -0.00 0.00 -1.33 0.00 0.00 58.87 57.06 1sxj n SER 0 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1sxj n SER 0 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1sxj n LEU 2 N 0.00 -0.00 -4.16 2.46 7.94 -0.93 -4.88 117.00 117.42 1sxj n LEU 2 Ca 0.00 -0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.51 1sxj n LEU 2 Cb 0.00 -0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 1sxj n LEU 2 CO 0.00 -0.00 -0.08 -0.70 -1.11 0.00 0.00 177.39 175.49 1sxj s GLU 3 N 0.03 2.26 -0.29 1.96 2.56 0.06 -2.67 118.70 122.62 1sxj s GLU 3 Ca 0.01 -1.83 0.02 0.00 0.00 0.00 0.00 54.97 53.17 1sxj s GLU 3 Cb -0.00 -3.76 0.08 0.00 2.00 0.00 0.00 34.13 32.44 1sxj s GLU 3 CO 0.00 -1.14 -0.01 0.00 -0.56 0.00 0.00 175.26 173.55 1sxj s ALA 4 N 1.19 2.38 -0.25 6.30 0.00 -0.21 -1.25 121.76 129.92 1sxj s ALA 4 Ca 0.07 -1.89 -0.07 0.00 0.00 0.00 0.00 51.96 50.07 1sxj s ALA 4 Cb -0.24 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 1sxj s ALA 4 CO -0.03 -1.42 0.07 0.21 0.00 0.00 0.00 175.76 174.59 1sxj s LYS 5 N 1.18 3.61 0.05 0.00 2.20 -0.75 0.17 119.74 126.21 1sxj s LYS 5 Ca 0.01 -0.51 -0.27 0.00 -0.36 0.00 0.00 55.97 54.84 1sxj s LYS 5 Cb -0.19 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 1sxj s LYS 5 CO -0.09 -0.20 0.84 -0.06 -0.36 0.00 0.00 175.35 175.48 1sxj s PHE 6 N 1.60 3.73 0.25 4.03 0.08 0.30 -1.26 117.98 126.71 1sxj s PHE 6 Ca 0.06 1.58 -0.05 0.00 0.12 0.00 0.00 56.93 58.64 1sxj s PHE 6 Cb -0.15 -2.93 0.49 0.00 -0.57 0.00 0.00 43.02 39.86 1sxj s PHE 6 CO 0.03 0.20 1.64 1.49 -0.10 0.00 0.00 175.22 178.48 1sxj h GLU 7 N 5.90 0.13 -3.65 0.44 4.57 -1.88 -3.36 114.58 116.73 1sxj h GLU 7 Ca -0.43 -0.01 -0.34 0.00 -1.18 0.00 0.00 59.36 57.40 1sxj h GLU 7 Cb 1.21 -0.03 -0.35 0.00 -0.16 0.00 0.00 28.75 29.42 1sxj h GLU 7 CO 0.72 0.09 -0.74 -1.83 -1.18 0.00 0.00 179.01 176.06 1sxj s GLU 8 N -6.08 0.23 0.62 1.92 -1.05 -1.26 -4.89 118.70 108.18 1sxj s GLU 8 Ca -0.13 0.12 0.38 0.00 -0.15 0.00 0.00 54.97 55.19 1sxj s GLU 8 Cb 0.23 -0.47 2.07 0.00 -0.44 0.00 0.00 34.13 35.51 1sxj s GLU 8 CO 0.76 -0.17 2.16 0.00 0.95 0.00 0.00 175.26 178.96 1sxj h ALA 9 N 7.43 1.08 0.00 -0.84 0.00 -1.76 0.58 119.26 125.75 1sxj h ALA 9 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1sxj h ALA 9 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1sxj h ALA 9 CO 0.43 -0.08 0.00 0.45 0.00 0.00 0.00 179.25 180.06 1sxj n SER 10 N -2.91 0.00 -0.08 0.00 2.88 -1.26 -3.66 113.62 108.59 1sxj n SER 10 Ca -0.03 -0.87 -0.09 0.00 -1.33 0.00 0.00 58.87 56.56 1sxj n SER 10 Cb 0.14 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.56 1sxj n SER 10 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1sxj n LEU 11 N -0.97 1.82 0.07 2.46 7.94 0.20 -3.81 117.00 124.71 1sxj n LEU 11 Ca 0.19 0.59 0.05 0.00 -1.11 0.00 0.00 56.01 55.73 1sxj n LEU 11 Cb 0.09 -0.89 0.28 0.00 0.53 0.00 0.00 43.42 43.42 1sxj n LEU 11 CO 0.14 -0.30 0.66 0.33 -1.11 0.00 0.00 177.39 177.11 1sxj n PHE 12 N -4.57 0.34 -0.06 1.96 7.35 -1.24 -2.01 117.46 119.21 1sxj n PHE 12 Ca -0.13 0.17 -0.14 0.00 -0.76 0.00 0.00 57.45 56.60 1sxj n PHE 12 Cb 0.36 -0.77 -0.12 0.00 0.35 0.00 0.00 39.48 39.29 1sxj n PHE 12 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1sxj h LYS 13 N 0.00 -0.00 -0.06 -4.13 1.63 -1.71 -3.09 116.57 109.21 1sxj h LYS 13 Ca 0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1sxj h LYS 13 Cb 0.02 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 1sxj h LYS 13 CO 0.00 0.93 -0.14 0.00 -3.45 0.00 0.00 179.45 176.79 1sxj h ARG 14 N -0.96 0.09 0.69 1.90 3.08 -1.50 -3.10 114.38 114.57 1sxj h ARG 14 Ca -0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1sxj h ARG 14 Cb 0.93 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.97 1sxj h ARG 14 CO 0.00 0.23 -0.33 0.82 -1.07 0.00 0.00 179.97 179.62 1sxj h ILE 15 N 0.08 0.00 0.00 2.04 2.04 -1.57 -3.04 117.51 117.07 1sxj h ILE 15 Ca 0.02 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1sxj h ILE 15 Cb 0.30 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1sxj h ILE 15 CO 0.02 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.79 1sxj n ILE 16 N -4.79 1.06 0.30 -0.67 5.41 -1.17 -1.60 119.36 117.91 1sxj n ILE 16 Ca -0.12 0.70 0.18 0.00 1.00 0.00 0.00 62.75 64.52 1sxj n ILE 16 Cb 0.37 -1.69 0.81 0.00 -0.71 0.00 0.00 39.64 38.41 1sxj n ILE 16 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1sxj h ASP 17 N 0.00 0.00 -0.01 4.38 5.19 -1.45 -1.98 116.42 122.55 1sxj h ASP 17 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1sxj h ASP 17 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1sxj h ASP 17 CO 0.00 0.00 -0.05 1.23 -3.12 0.00 0.00 179.24 177.30 1sxj h GLY 18 N 1.52 0.06 0.00 2.75 0.00 -1.43 -3.38 103.07 102.59 1sxj h GLY 18 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1sxj h GLY 18 CO 0.00 0.07 0.00 0.69 0.00 0.00 0.00 176.54 177.30 1sxj n PHE 19 N -4.72 0.00 0.00 5.60 3.01 -1.09 -4.34 117.46 115.92 1sxj n PHE 19 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1sxj n PHE 19 Cb 0.35 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 1sxj n PHE 19 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1sxj n LYS 20 N -1.75 0.00 -0.08 -1.08 4.81 -0.76 -1.41 118.16 117.89 1sxj n LYS 20 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.23 1sxj n LYS 20 Cb 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.93 1sxj n LYS 20 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1sxj h ASP 21 N 0.00 0.07 0.84 3.14 3.32 -1.80 -3.41 116.42 118.58 1sxj h ASP 21 Ca 0.00 -0.64 -0.22 0.00 0.02 0.00 0.00 57.03 56.20 1sxj h ASP 21 Cb 0.00 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1sxj h ASP 21 CO 0.00 1.46 -1.00 0.00 -1.72 0.00 0.00 179.24 177.98 1sxj s VAL 23 N -2.83 4.50 0.00 0.00 1.01 -1.04 -4.74 120.40 117.29 1sxj s VAL 23 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1sxj s VAL 23 Cb 0.10 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1sxj s VAL 23 CO 0.83 0.56 0.00 1.67 0.00 0.00 0.00 175.10 178.16 1sxj n GLN 24 N 2.61 0.00 -4.76 2.72 7.27 -1.26 -4.40 117.38 119.55 1sxj n GLN 24 Ca -0.18 0.05 -0.32 0.00 0.07 0.00 0.00 57.00 56.61 1sxj n GLN 24 Cb 0.53 -0.55 -0.12 0.00 2.41 0.00 0.00 30.24 32.51 1sxj n GLN 24 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1sxj s LEU 25 N -1.31 2.82 -0.12 1.69 1.43 -1.26 -3.85 118.68 118.08 1sxj s LEU 25 Ca 0.00 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1sxj s LEU 25 Cb 0.00 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.67 1sxj s LEU 25 CO 0.00 0.32 0.06 0.68 0.23 0.00 0.00 176.35 177.64 1sxj s VAL 26 N -0.81 0.10 -0.10 -1.59 -7.23 -1.26 -4.88 120.40 104.62 1sxj s VAL 26 Ca 0.13 -0.02 -0.30 0.00 -1.81 0.00 0.00 61.98 59.98 1sxj s VAL 26 Cb -0.11 -0.53 -0.03 0.00 0.56 0.00 0.00 36.38 36.27 1sxj s VAL 26 CO 0.02 -0.05 1.25 0.20 -0.31 0.00 0.00 175.10 176.21 1sxj s ASN 27 N 2.07 6.98 -0.37 4.85 0.02 -1.26 -4.66 114.94 122.57 1sxj s ASN 27 Ca 0.03 1.79 -0.16 0.00 -1.02 0.00 0.00 52.86 53.50 1sxj s ASN 27 Cb -0.14 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.58 1sxj s ASN 27 CO -0.07 -0.68 0.37 -0.36 0.02 0.00 0.00 177.10 176.39 1sxj s PHE 28 N 2.81 3.20 -0.27 2.20 0.08 0.27 -4.33 117.98 121.95 1sxj s PHE 28 Ca 0.56 -0.20 -0.12 0.00 0.12 0.00 0.00 56.93 57.29 1sxj s PHE 28 Cb -0.24 -2.73 -0.05 0.00 -0.57 0.00 0.00 43.02 39.44 1sxj s PHE 28 CO 0.19 -0.53 0.24 -0.65 -0.10 0.00 0.00 175.22 174.37 1sxj s GLN 29 N 2.01 3.99 0.14 0.44 -0.21 -0.60 0.18 119.66 125.62 1sxj s GLN 29 Ca 0.11 -0.20 0.03 0.00 0.02 0.00 0.00 55.36 55.32 1sxj s GLN 29 Cb -0.17 -3.64 -0.04 0.00 1.00 0.00 0.00 33.01 30.16 1sxj s GLN 29 CO 0.12 -0.17 0.26 0.00 -2.12 0.00 0.00 175.29 173.37 1sxj n LYS 31 N -0.46 0.00 0.00 0.00 5.02 -0.78 -1.79 118.16 120.15 1sxj n LYS 31 Ca -0.07 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.33 1sxj n LYS 31 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1sxj n LYS 31 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1sxj n GLU 32 N 0.00 0.56 0.00 1.97 1.02 -1.26 -4.27 120.64 118.66 1sxj n GLU 32 Ca 0.00 -0.44 0.03 0.00 -0.02 0.00 0.00 57.16 56.73 1sxj n GLU 32 Cb 0.00 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 29.91 1sxj n GLU 32 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1sxj n ASP 33 N -0.84 0.59 0.00 1.62 3.85 -1.26 -4.89 116.55 115.62 1sxj n ASP 33 Ca 0.07 -0.79 0.00 0.00 -0.71 0.00 0.00 54.79 53.35 1sxj n ASP 33 Cb 0.39 0.79 0.00 0.00 -1.35 0.00 0.00 41.12 40.95 1sxj n ASP 33 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sxj n GLY 34 N 1.01 0.06 3.33 6.12 0.00 -1.26 -2.52 105.19 111.92 1sxj n GLY 34 Ca 0.02 -1.27 -0.28 0.00 0.00 0.00 0.00 46.02 44.49 1sxj n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sxj s ILE 35 N -3.49 2.03 0.01 -0.61 1.01 0.73 -1.87 121.20 119.00 1sxj s ILE 35 Ca 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 60.65 59.13 1sxj s ILE 35 Cb 0.00 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 1sxj s ILE 35 CO 0.00 0.20 0.08 0.27 0.00 0.00 0.00 174.94 175.49 1sxj s ILE 36 N -0.92 0.09 -0.11 2.92 -4.36 -0.83 0.36 121.20 118.35 1sxj s ILE 36 Ca 0.11 -0.72 -0.30 0.00 -0.26 0.00 0.00 60.65 59.48 1sxj s ILE 36 Cb -0.10 -0.36 0.11 0.00 1.25 0.00 0.00 42.46 43.37 1sxj s ILE 36 CO 0.03 -0.40 0.91 0.00 0.24 0.00 0.00 174.94 175.73 1sxj s ALA 37 N -1.32 -1.88 0.20 2.27 0.00 -0.52 -1.55 121.76 118.96 1sxj s ALA 37 Ca -0.14 1.43 -0.10 0.00 0.00 0.00 0.00 51.96 53.14 1sxj s ALA 37 Cb -0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1sxj s ALA 37 CO 0.01 -0.39 0.36 -0.65 0.00 0.00 0.00 175.76 175.09 1sxj s GLN 38 N -1.48 1.33 0.00 0.00 -0.21 -1.26 0.04 119.66 118.08 1sxj s GLN 38 Ca -0.03 -1.23 -0.30 0.00 0.02 0.00 0.00 55.36 53.83 1sxj s GLN 38 Cb -0.00 0.41 0.11 0.00 1.00 0.00 0.00 33.01 34.53 1sxj s GLN 38 CO 0.01 -0.52 1.20 0.00 -2.12 0.00 0.00 175.29 173.87 1sxj s ALA 39 N -4.00 -2.09 0.03 6.09 0.00 -1.02 -4.47 121.76 116.31 1sxj s ALA 39 Ca 0.21 0.68 -0.00 0.00 0.00 0.00 0.00 51.96 52.84 1sxj s ALA 39 Cb 0.02 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 1sxj s ALA 39 CO 0.04 -1.00 -0.04 0.08 0.00 0.00 0.00 175.76 174.85 1sxj s VAL 40 N -2.63 0.19 0.59 0.00 1.01 -1.26 -1.40 120.40 116.89 1sxj s VAL 40 Ca 0.13 -1.17 -0.20 0.00 0.00 0.00 0.00 61.98 60.74 1sxj s VAL 40 Cb 0.03 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 1sxj s VAL 40 CO -0.03 -0.62 1.29 -1.81 0.00 0.00 0.00 175.10 173.93 1sxj s ASP 41 N -1.86 5.08 0.00 3.32 1.01 -0.40 -4.84 116.67 118.98 1sxj s ASP 41 Ca -0.09 2.59 0.04 0.00 0.71 0.00 0.00 52.55 55.80 1sxj s ASP 41 Cb -0.05 -2.62 0.20 0.00 1.01 0.00 0.00 42.92 41.46 1sxj s ASP 41 CO -0.03 -1.69 1.01 0.47 0.21 0.00 0.00 175.17 175.14 1sxj n ASP 42 N -1.44 0.00 -0.01 0.27 9.92 -1.26 0.40 116.55 124.44 1sxj n ASP 42 Ca 0.13 0.30 0.11 0.00 -0.53 0.00 0.00 54.79 54.80 1sxj n ASP 42 Cb 0.47 -0.34 -0.16 0.00 -0.64 0.00 0.00 41.12 40.45 1sxj n ASP 42 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1sxj n SER 43 N -1.34 0.17 -2.64 -2.24 2.88 -1.26 -4.99 113.62 104.19 1sxj n SER 43 Ca 0.02 -0.17 -0.13 0.00 -1.33 0.00 0.00 58.87 57.26 1sxj n SER 43 Cb 0.04 1.83 0.06 0.00 -0.75 0.00 0.00 64.21 65.39 1sxj n SER 43 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1sxj n ARG 44 N -2.13 -4.82 -0.03 -1.46 5.12 0.16 -4.94 116.66 108.56 1sxj n ARG 44 Ca -0.03 0.57 -0.03 0.00 -1.93 0.00 0.00 57.85 56.44 1sxj n ARG 44 Cb 0.53 -4.79 -0.04 0.00 -1.16 0.00 0.00 32.46 27.00 1sxj n ARG 44 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1sxj n VAL 45 N -3.49 0.35 -4.25 1.55 0.31 -1.26 -4.94 118.33 106.59 1sxj n VAL 45 Ca -0.13 -0.20 -0.17 0.00 -0.01 0.00 0.00 64.34 63.83 1sxj n VAL 45 Cb 0.59 -0.84 -0.14 0.00 -0.91 0.00 0.00 33.84 32.53 1sxj n VAL 45 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1sxj s LEU 46 N -4.53 2.05 -0.03 7.52 2.96 -1.26 0.50 118.68 125.89 1sxj s LEU 46 Ca -0.03 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 1sxj s LEU 46 Cb 0.02 -0.36 0.01 0.00 0.50 0.00 0.00 46.19 46.35 1sxj s LEU 46 CO 0.20 0.06 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.97 1sxj s LEU 47 N -0.36 1.73 -0.10 -0.68 0.20 -0.43 -1.27 118.68 117.77 1sxj s LEU 47 Ca 0.01 -0.20 -0.03 0.00 0.69 0.00 0.00 54.13 54.60 1sxj s LEU 47 Cb -0.04 -0.59 -0.03 0.00 -0.43 0.00 0.00 46.19 45.10 1sxj s LEU 47 CO -0.00 0.05 0.03 -0.69 -0.29 0.00 0.00 176.35 175.46 1sxj s VAL 48 N 0.30 4.57 -0.17 1.68 1.01 -0.50 -0.60 120.40 126.70 1sxj s VAL 48 Ca -0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 1sxj s VAL 48 Cb -0.10 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.37 1sxj s VAL 48 CO 0.01 0.60 -0.07 -0.44 0.00 0.00 0.00 175.10 175.20 1sxj s SER 49 N -0.82 2.88 -0.11 3.32 0.01 0.21 -2.43 113.70 116.75 1sxj s SER 49 Ca 0.13 -0.67 -0.02 0.00 1.31 0.00 0.00 55.95 56.70 1sxj s SER 49 Cb -0.12 -0.98 -0.03 0.00 0.21 0.00 0.00 66.02 65.10 1sxj s SER 49 CO 0.03 -0.17 -0.04 -0.22 0.41 0.00 0.00 173.24 173.25 1sxj s LEU 50 N 1.59 3.31 -0.12 2.44 2.96 0.11 -1.20 118.68 127.76 1sxj s LEU 50 Ca 0.01 -0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1sxj s LEU 50 Cb -0.15 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.82 1sxj s LEU 50 CO -0.08 0.28 0.04 -1.61 -1.32 0.00 0.00 176.35 173.65 1sxj s GLU 51 N -0.28 0.45 -0.24 1.98 2.02 -0.47 -1.44 118.70 120.72 1sxj s GLU 51 Ca 0.05 -0.06 -0.03 0.00 0.02 0.00 0.00 54.97 54.95 1sxj s GLU 51 Cb -0.13 -1.44 0.01 0.00 0.10 0.00 0.00 34.13 32.68 1sxj s GLU 51 CO 0.02 -0.48 -0.04 0.42 0.02 0.00 0.00 175.26 175.20 1sxj s ILE 52 N 1.99 3.12 0.37 -1.63 -1.09 0.16 0.18 121.20 124.29 1sxj s ILE 52 Ca 0.03 -0.83 -0.07 0.00 -2.23 0.00 0.00 60.65 57.55 1sxj s ILE 52 Cb -0.14 -2.53 -0.05 0.00 -1.58 0.00 0.00 42.46 38.16 1sxj s ILE 52 CO -0.07 0.26 0.68 -0.83 -1.23 0.00 0.00 174.94 173.76 1sxj s GLY 53 N 1.39 1.78 0.55 6.18 0.00 0.19 -0.19 107.32 117.22 1sxj s GLY 53 Ca 0.02 -0.44 0.25 0.00 0.00 0.00 0.00 44.72 44.55 1sxj s GLY 53 CO -0.04 -0.30 2.17 -2.08 0.00 0.00 0.00 173.10 172.85 1sxj h VAL 54 N 1.01 0.68 -0.26 1.40 2.07 -1.75 -2.42 116.25 116.97 1sxj h VAL 54 Ca -0.47 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 66.92 1sxj h VAL 54 Cb 1.19 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1sxj h VAL 54 CO 0.64 0.05 0.43 -0.08 0.02 0.00 0.00 177.57 178.63 1sxj h GLU 55 N 0.00 0.00 -0.95 1.57 4.81 -1.88 0.57 114.58 118.70 1sxj h GLU 55 Ca -0.00 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.71 1sxj h GLU 55 Cb 0.12 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 29.21 1sxj h GLU 55 CO 0.01 0.00 0.62 0.00 -0.73 0.00 0.00 179.01 178.91 1sxj n ALA 56 N -2.15 5.62 -2.66 2.92 0.00 -0.91 -4.89 120.51 118.44 1sxj n ALA 56 Ca 0.04 -3.01 -0.19 0.00 0.00 0.00 0.00 53.44 50.28 1sxj n ALA 56 Cb 0.56 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.43 1sxj n ALA 56 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1sxj s PHE 57 N -3.38 1.03 -1.54 0.00 0.08 0.20 -4.04 117.98 110.33 1sxj s PHE 57 Ca 0.57 -0.27 0.28 0.00 0.12 0.00 0.00 56.93 57.64 1sxj s PHE 57 Cb 0.48 -0.64 1.07 0.00 -0.57 0.00 0.00 43.02 43.36 1sxj s PHE 57 CO 0.08 -0.00 1.77 0.94 -0.10 0.00 0.00 175.22 177.91 1sxj n GLN 58 N 2.38 0.58 0.00 0.44 7.27 -0.39 -4.81 117.38 122.86 1sxj n GLN 58 Ca -0.16 -0.23 0.00 0.00 0.07 0.00 0.00 57.00 56.68 1sxj n GLN 58 Cb 0.56 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.71 1sxj n GLN 58 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1sxj n GLU 59 N -1.01 0.00 -4.03 3.69 0.00 -1.23 -5.01 120.64 113.05 1sxj n GLU 59 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.12 1sxj n GLU 59 Cb 0.30 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.59 1sxj n GLU 59 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1sxj s TYR 60 N 0.00 0.39 -0.31 4.31 5.04 -1.26 -1.80 117.35 123.72 1sxj s TYR 60 Ca 0.00 -0.06 0.04 0.00 -2.44 0.00 0.00 57.07 54.61 1sxj s TYR 60 Cb 0.00 -0.37 0.17 0.00 0.35 0.00 0.00 41.96 42.11 1sxj s TYR 60 CO 0.00 -0.09 0.46 0.50 -1.34 0.00 0.00 175.55 175.09 1sxj s ARG 61 N 0.53 0.52 -0.43 4.97 3.52 -0.38 -5.02 118.95 122.66 1sxj s ARG 61 Ca -0.06 0.04 0.08 0.00 -0.13 0.00 0.00 55.73 55.66 1sxj s ARG 61 Cb -0.09 -0.21 0.41 0.00 -1.56 0.00 0.00 34.95 33.51 1sxj s ARG 61 CO -0.01 -1.08 1.05 0.00 -0.81 0.00 0.00 175.30 174.45 1sxj n ASP 63 N -0.35 0.00 -4.68 0.00 8.00 -1.26 -3.80 116.55 114.45 1sxj n ASP 63 Ca 0.32 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.47 1sxj n ASP 63 Cb 0.65 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.66 1sxj n ASP 63 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1sxj s HIS 64 N -1.01 3.32 0.45 1.24 2.46 -1.26 -4.78 115.29 115.71 1sxj s HIS 64 Ca 0.00 0.18 -0.21 0.00 0.47 0.00 0.00 55.06 55.50 1sxj s HIS 64 Cb 0.00 -2.08 -0.12 0.00 -0.13 0.00 0.00 32.58 30.25 1sxj s HIS 64 CO 0.00 0.25 0.47 -2.30 -2.47 0.00 0.00 174.74 170.68 1sxj n PRO 65 N 3.36 0.49 -4.38 2.88 -0.02 -1.25 -4.93 135.00 131.15 1sxj n PRO 65 Ca -0.17 0.18 -0.19 0.00 -2.02 0.00 0.00 63.50 61.30 1sxj n PRO 65 Cb 0.52 -1.47 -0.10 0.00 -0.02 0.00 0.00 33.50 32.43 1sxj n PRO 65 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sxj s VAL 66 N -1.57 1.04 -0.30 -1.45 1.01 -0.74 -4.96 120.40 113.43 1sxj s VAL 66 Ca 0.63 -2.02 -0.00 0.00 0.00 0.00 0.00 61.98 60.59 1sxj s VAL 66 Cb -0.57 -2.60 0.09 0.00 0.00 0.00 0.00 36.38 33.30 1sxj s VAL 66 CO 0.58 -0.12 0.08 -0.89 0.00 0.00 0.00 175.10 174.75 1sxj s THR 67 N -3.41 1.05 -0.74 3.92 2.01 -1.26 -1.24 115.64 115.96 1sxj s THR 67 Ca 0.34 -1.43 -0.13 0.00 0.31 0.00 0.00 61.69 60.78 1sxj s THR 67 Cb 0.07 -1.75 0.19 0.00 0.01 0.00 0.00 72.50 71.03 1sxj s THR 67 CO 0.13 -0.59 0.67 -0.76 -0.69 0.00 0.00 174.62 173.37 1sxj s LEU 68 N 1.54 6.44 0.38 4.42 1.43 0.48 -4.88 118.68 128.48 1sxj s LEU 68 Ca 0.08 -2.53 -0.15 0.00 -1.03 0.00 0.00 54.13 50.50 1sxj s LEU 68 Cb -0.18 -2.16 -0.09 0.00 0.03 0.00 0.00 46.19 43.80 1sxj s LEU 68 CO -0.21 -0.60 0.80 -0.83 0.23 0.00 0.00 176.35 175.75 1sxj s GLY 69 N 2.24 2.24 -0.15 -3.19 0.00 -1.26 0.98 107.32 108.17 1sxj s GLY 69 Ca 0.15 0.06 0.01 0.00 0.00 0.00 0.00 44.72 44.94 1sxj s GLY 69 CO -0.06 0.29 -0.18 -0.35 0.00 0.00 0.00 173.10 172.79 1sxj s ASP 71 N -2.52 3.41 0.27 1.64 3.68 -1.26 -4.36 116.67 117.54 1sxj s ASP 71 Ca 0.55 -0.53 -0.04 0.00 2.13 0.00 0.00 52.55 54.66 1sxj s ASP 71 Cb -0.10 -1.51 0.33 0.00 -1.45 0.00 0.00 42.92 40.19 1sxj s ASP 71 CO 0.21 0.08 1.93 -0.07 0.13 0.00 0.00 175.17 177.45 1sxj h LEU 72 N 7.36 1.09 -0.88 -1.34 3.38 -1.91 0.19 115.31 123.19 1sxj h LEU 72 Ca -0.33 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.54 1sxj h LEU 72 Cb 1.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1sxj h LEU 72 CO 0.57 0.77 0.01 0.71 0.09 0.00 0.00 178.44 180.59 1sxj h THR 73 N 1.28 1.25 -0.10 0.22 1.35 -1.88 0.96 112.91 115.98 1sxj h THR 73 Ca 0.36 -1.01 -0.16 0.00 -0.55 0.00 0.00 66.41 65.05 1sxj h THR 73 Cb -0.10 0.84 0.01 0.00 -1.73 0.00 0.00 68.15 67.17 1sxj h THR 73 CO -0.09 0.36 -0.57 0.28 -0.25 0.00 0.00 175.52 175.25 1sxj h SER 74 N 0.79 0.68 -0.29 5.36 0.02 -1.88 -3.10 113.55 115.12 1sxj h SER 74 Ca 0.15 -0.65 -0.05 0.00 -0.84 0.00 0.00 61.79 60.40 1sxj h SER 74 Cb 0.45 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1sxj h SER 74 CO 0.02 1.22 -0.03 0.25 -1.14 0.00 0.00 176.83 177.15 1sxj h LEU 75 N 0.18 0.52 -2.28 5.07 5.85 -0.38 -2.82 115.31 121.46 1sxj h LEU 75 Ca -0.04 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.38 1sxj h LEU 75 Cb 1.21 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1sxj h LEU 75 CO 0.12 0.73 0.13 -1.28 -0.34 0.00 0.00 178.44 177.80 1sxj h SER 76 N 0.30 0.00 0.22 1.25 0.87 0.88 0.03 113.55 117.10 1sxj h SER 76 Ca 0.08 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1sxj h SER 76 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1sxj h SER 76 CO 0.02 0.00 -0.10 0.11 -0.53 0.00 0.00 176.83 176.33 1sxj h LYS 77 N 0.00 -0.28 -1.32 2.24 1.57 -1.42 -2.97 116.57 114.38 1sxj h LYS 77 Ca 0.06 0.02 0.41 0.00 -1.87 0.00 0.00 60.65 59.26 1sxj h LYS 77 Cb 0.31 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.58 1sxj h LYS 77 CO -0.00 -0.19 0.88 0.82 -0.57 0.00 0.00 179.45 180.39 1sxj h ILE 78 N -0.53 0.22 0.00 1.86 1.08 -1.21 0.78 117.51 119.72 1sxj h ILE 78 Ca -0.03 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1sxj h ILE 78 Cb 0.22 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.06 1sxj h ILE 78 CO 0.05 0.02 0.00 0.25 -0.69 0.00 0.00 178.15 177.78 1sxj h LEU 79 N 0.13 0.00 0.00 1.44 5.85 -0.99 -3.04 115.31 118.69 1sxj h LEU 79 Ca 0.76 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.47 1sxj h LEU 79 Cb 2.46 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.49 1sxj h LEU 79 CO -0.29 0.00 -0.48 0.03 -0.34 0.00 0.00 178.44 177.35 1sxj h ARG 80 N 0.00 0.00 -0.57 1.25 3.08 0.76 -3.32 114.38 115.58 1sxj h ARG 80 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sxj h ARG 80 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1sxj h ARG 80 CO 0.00 0.01 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 1sxj s GLY 82 N -0.46 1.58 0.71 0.00 0.00 -1.25 -5.06 107.32 102.84 1sxj s GLY 82 Ca 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 44.72 43.67 1sxj s GLY 82 CO 0.00 -0.04 1.08 0.21 0.00 0.00 0.00 173.10 174.35 1sxj s ASN 83 N 0.59 5.31 0.00 1.64 3.84 -1.26 -4.92 114.94 120.14 1sxj s ASN 83 Ca -0.06 1.35 0.00 0.00 0.21 0.00 0.00 52.86 54.36 1sxj s ASN 83 Cb -0.15 -2.20 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 1sxj s ASN 83 CO 0.03 -1.46 0.79 0.59 -2.79 0.00 0.00 177.10 174.27 1sxj n ASN 84 N -3.11 0.18 0.00 -4.21 3.02 -1.26 -2.60 115.26 107.28 1sxj n ASN 84 Ca 0.07 -1.77 0.00 0.00 -0.03 0.00 0.00 54.58 52.85 1sxj n ASN 84 Cb 0.55 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1sxj n ASN 84 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1sxj n THR 85 N -0.39 0.52 -3.26 3.41 -1.04 -1.26 -5.03 114.28 107.24 1sxj n THR 85 Ca 0.00 -0.71 -0.21 0.00 -2.04 0.00 0.00 64.05 61.10 1sxj n THR 85 Cb 0.04 0.78 0.03 0.00 -1.82 0.00 0.00 70.33 69.37 1sxj n THR 85 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1sxj s ASP 86 N -0.52 5.11 -0.05 8.00 1.01 -1.07 -4.48 116.67 124.67 1sxj s ASP 86 Ca 0.00 -0.83 0.01 0.00 0.71 0.00 0.00 52.55 52.44 1sxj s ASP 86 Cb 0.00 0.04 0.02 0.00 1.01 0.00 0.00 42.92 43.99 1sxj s ASP 86 CO 0.00 -1.11 -0.07 0.42 0.21 0.00 0.00 175.17 174.62 1sxj s THR 87 N -2.61 0.71 0.15 -1.27 -4.23 -0.51 -3.73 115.64 104.16 1sxj s THR 87 Ca 0.54 -0.24 -0.17 0.00 -1.18 0.00 0.00 61.69 60.64 1sxj s THR 87 Cb -0.06 -0.70 -0.07 0.00 1.34 0.00 0.00 72.50 73.01 1sxj s THR 87 CO 0.33 0.26 0.61 -0.22 -0.54 0.00 0.00 174.62 175.06 1sxj s LEU 88 N 0.79 4.38 -0.17 4.79 0.20 -1.24 -2.60 118.68 124.82 1sxj s LEU 88 Ca -0.12 1.22 -0.05 0.00 0.69 0.00 0.00 54.13 55.87 1sxj s LEU 88 Cb -0.15 -3.28 0.06 0.00 -0.43 0.00 0.00 46.19 42.40 1sxj s LEU 88 CO 0.01 0.12 0.11 -0.89 -0.29 0.00 0.00 176.35 175.42 1sxj s THR 89 N -1.40 -0.13 0.00 3.68 2.01 -0.33 -0.54 115.64 118.93 1sxj s THR 89 Ca 0.37 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 1sxj s THR 89 Cb -0.17 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 1sxj s THR 89 CO 0.20 -0.25 1.11 -0.76 -0.69 0.00 0.00 174.62 174.23 1sxj s LEU 90 N 2.17 4.34 -0.13 4.42 1.43 0.46 -1.69 118.68 129.68 1sxj s LEU 90 Ca 0.03 1.82 -0.02 0.00 -1.03 0.00 0.00 54.13 54.92 1sxj s LEU 90 Cb -0.16 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.54 1sxj s LEU 90 CO -0.09 -0.43 0.03 -0.63 0.23 0.00 0.00 176.35 175.46 1sxj s ILE 91 N 1.38 0.34 -0.01 -0.59 1.01 0.93 -1.04 121.20 123.21 1sxj s ILE 91 Ca 0.55 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 61.09 1sxj s ILE 91 Cb -0.25 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.51 1sxj s ILE 91 CO 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 174.94 175.07 1sxj s ALA 92 N 1.96 1.10 0.65 9.38 0.00 -1.09 -1.36 121.76 132.40 1sxj s ALA 92 Ca 0.02 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 1sxj s ALA 92 Cb -0.15 -0.28 0.06 0.00 0.00 0.00 0.00 23.12 22.75 1sxj s ALA 92 CO -0.07 0.27 0.37 -0.25 0.00 0.00 0.00 175.76 176.08 1sxj n ASP 93 N 2.76 0.32 -4.64 0.00 8.00 -1.26 -2.20 116.55 119.53 1sxj n ASP 93 Ca -0.14 -1.31 -0.42 0.00 0.71 0.00 0.00 54.79 53.62 1sxj n ASP 93 Cb 0.55 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 1sxj n ASP 93 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1sxj s ASN 94 N -2.44 6.35 -0.56 -2.24 0.01 -1.26 -3.22 114.94 111.59 1sxj s ASN 94 Ca 0.23 2.20 -0.12 0.00 -0.71 0.00 0.00 52.86 54.46 1sxj s ASN 94 Cb -0.01 -2.53 0.02 0.00 0.41 0.00 0.00 41.25 39.14 1sxj s ASN 94 CO 0.16 -1.19 0.64 0.41 -1.51 0.00 0.00 177.10 175.60 1sxj n THR 95 N 6.04 -9.68 -1.63 1.60 -1.04 -1.26 -4.88 114.28 103.43 1sxj n THR 95 Ca 0.20 0.38 -0.46 0.00 -2.04 0.00 0.00 64.05 62.14 1sxj n THR 95 Cb 0.43 -6.58 -0.03 0.00 -1.82 0.00 0.00 70.33 62.34 1sxj n THR 95 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1sxj n PRO 96 N -0.93 1.65 -0.03 -2.82 -0.02 -1.20 -4.91 135.00 126.74 1sxj n PRO 96 Ca 0.03 0.59 0.03 0.00 -2.02 0.00 0.00 63.50 62.13 1sxj n PRO 96 Cb 0.51 -2.14 0.05 0.00 -0.02 0.00 0.00 33.50 31.89 1sxj n PRO 96 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1sxj n ASP 97 N 1.89 1.84 0.00 2.55 8.00 -1.26 -4.97 116.55 124.60 1sxj n ASP 97 Ca 0.12 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 54.12 1sxj n ASP 97 Cb 0.29 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 1sxj n ASP 97 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1sxj n SER 98 N 0.25 0.00 -4.93 -2.24 3.41 -1.26 -3.90 113.62 104.95 1sxj n SER 98 Ca 0.05 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.39 1sxj n SER 98 Cb 0.22 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 1sxj n SER 98 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1sxj s ILE 99 N -0.90 5.14 -0.08 -1.33 2.07 -0.29 -4.78 121.20 121.04 1sxj s ILE 99 Ca 0.00 -0.36 0.05 0.00 -1.41 0.00 0.00 60.65 58.93 1sxj s ILE 99 Cb 0.00 -3.78 -0.01 0.00 0.13 0.00 0.00 42.46 38.80 1sxj s ILE 99 CO 0.00 -0.34 -0.24 -0.63 -1.91 0.00 0.00 174.94 171.82 1sxj s ILE 100 N -2.06 2.09 -0.14 2.00 -1.09 -0.47 -1.87 121.20 119.67 1sxj s ILE 100 Ca 0.40 -1.03 -0.00 0.00 -2.23 0.00 0.00 60.65 57.78 1sxj s ILE 100 Cb -0.10 -1.78 -0.01 0.00 -1.58 0.00 0.00 42.46 38.99 1sxj s ILE 100 CO 0.31 0.56 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.70 1sxj s LEU 101 N 0.09 2.74 -0.15 2.97 1.02 -1.02 -0.05 118.68 124.28 1sxj s LEU 101 Ca -0.11 -0.33 0.02 0.00 0.02 0.00 0.00 54.13 53.73 1sxj s LEU 101 Cb -0.16 -1.62 0.01 0.00 0.02 0.00 0.00 46.19 44.44 1sxj s LEU 101 CO 0.06 0.15 -0.21 -0.22 0.02 0.00 0.00 176.35 176.16 1sxj s LEU 102 N 0.42 2.09 -0.10 1.79 0.20 -0.68 -1.88 118.68 120.51 1sxj s LEU 102 Ca -0.10 -0.60 -0.02 0.00 0.69 0.00 0.00 54.13 54.10 1sxj s LEU 102 Cb -0.16 -1.43 -0.03 0.00 -0.43 0.00 0.00 46.19 44.14 1sxj s LEU 102 CO 0.05 0.06 -0.02 -0.36 -0.29 0.00 0.00 176.35 175.79 1sxj s PHE 103 N 0.94 3.09 0.01 5.38 0.40 0.08 -1.18 117.98 126.70 1sxj s PHE 103 Ca -0.04 0.06 -0.12 0.00 -0.60 0.00 0.00 56.93 56.23 1sxj s PHE 103 Cb -0.15 -1.82 0.01 0.00 0.51 0.00 0.00 43.02 41.58 1sxj s PHE 103 CO -0.04 0.33 0.25 -1.21 0.70 0.00 0.00 175.22 175.24 1sxj s GLU 104 N -0.57 0.65 0.12 0.44 2.02 -1.07 -1.65 118.70 118.64 1sxj s GLU 104 Ca 0.09 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 54.73 1sxj s GLU 104 Cb -0.12 0.28 0.02 0.00 0.10 0.00 0.00 34.13 34.41 1sxj s GLU 104 CO 0.02 -0.18 0.17 -3.47 0.02 0.00 0.00 175.26 171.82 1sxj n ASP 105 N 1.12 0.34 -0.15 -0.19 -0.08 -1.25 -1.42 116.55 114.92 1sxj n ASP 105 Ca -0.21 -1.26 0.02 0.00 -1.51 0.00 0.00 54.79 51.83 1sxj n ASP 105 Cb 0.57 -0.10 0.03 0.00 2.34 0.00 0.00 41.12 43.96 1sxj n ASP 105 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1sxj n THR 106 N -1.42 0.57 0.00 5.18 -1.04 -1.26 -4.86 114.28 111.45 1sxj n THR 106 Ca 0.03 -0.64 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 1sxj n THR 106 Cb 0.11 0.52 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 1sxj n THR 106 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1sxj n LYS 107 N -0.38 0.00 -5.26 -2.82 2.85 -1.26 -5.10 118.16 106.19 1sxj n LYS 107 Ca 0.03 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.98 1sxj n LYS 107 Cb 0.53 -0.46 -0.16 0.00 -0.65 0.00 0.00 35.03 34.29 1sxj n LYS 107 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1sxj s LYS 108 N -1.13 2.49 -0.53 -1.58 -2.85 -1.26 -5.06 119.74 109.81 1sxj s LYS 108 Ca 0.00 -0.90 -0.26 0.00 -1.00 0.00 0.00 55.97 53.80 1sxj s LYS 108 Cb 0.00 -2.15 -0.06 0.00 -2.06 0.00 0.00 37.83 33.56 1sxj s LYS 108 CO 0.00 0.41 2.26 0.34 0.10 0.00 0.00 175.35 178.46 1sxj s ASP 109 N -0.24 4.65 -0.23 0.03 -1.08 -1.26 -4.49 116.67 114.05 1sxj s ASP 109 Ca -0.01 0.86 -0.03 0.00 -0.52 0.00 0.00 52.55 52.84 1sxj s ASP 109 Cb -0.13 -2.51 0.10 0.00 -1.46 0.00 0.00 42.92 38.92 1sxj s ASP 109 CO 0.03 -2.76 0.21 -0.13 0.52 0.00 0.00 175.17 173.04 1sxj s ARG 110 N 7.94 0.21 -0.27 4.34 0.52 -1.26 -5.09 118.95 125.34 1sxj s ARG 110 Ca 0.89 -0.02 -0.05 0.00 -0.52 0.00 0.00 55.73 56.03 1sxj s ARG 110 Cb -0.16 -1.15 0.02 0.00 0.52 0.00 0.00 34.95 34.18 1sxj s ARG 110 CO 0.24 -0.80 0.02 0.42 0.02 0.00 0.00 175.30 175.20 1sxj s ILE 111 N 2.28 3.51 -0.41 1.52 -1.09 -1.26 -3.79 121.20 121.97 1sxj s ILE 111 Ca 0.07 -0.82 -0.06 0.00 -2.23 0.00 0.00 60.65 57.61 1sxj s ILE 111 Cb -0.15 -2.80 0.09 0.00 -1.58 0.00 0.00 42.46 38.02 1sxj s ILE 111 CO -0.20 0.13 0.21 0.00 -1.23 0.00 0.00 174.94 173.86 1sxj s ALA 112 N 1.43 3.19 -0.25 9.38 0.00 -0.66 -4.99 121.76 129.85 1sxj s ALA 112 Ca 0.02 -2.29 -0.03 0.00 0.00 0.00 0.00 51.96 49.65 1sxj s ALA 112 Cb -0.17 -2.49 0.01 0.00 0.00 0.00 0.00 23.12 20.48 1sxj s ALA 112 CO -0.00 -1.69 -0.02 -1.21 0.00 0.00 0.00 175.76 172.84 1sxj s GLU 113 N 1.29 3.01 -0.07 0.00 2.02 -1.26 -0.74 118.70 122.94 1sxj s GLU 113 Ca 0.04 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.16 1sxj s GLU 113 Cb -0.23 -3.09 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 1sxj s GLU 113 CO -0.01 -0.37 -0.07 0.71 0.02 0.00 0.00 175.26 175.54 1sxj s TYR 114 N 1.40 2.95 0.21 1.61 1.51 -0.79 -5.00 117.35 119.24 1sxj s TYR 114 Ca 0.02 -0.00 -0.02 0.00 -1.01 0.00 0.00 57.07 56.05 1sxj s TYR 114 Cb -0.16 -1.73 -0.05 0.00 -0.11 0.00 0.00 41.96 39.91 1sxj s TYR 114 CO -0.02 0.30 0.42 0.45 -1.11 0.00 0.00 175.55 175.59 1sxj s SER 115 N -0.72 6.42 -0.27 2.29 0.15 -1.26 -2.43 113.70 117.88 1sxj s SER 115 Ca 0.11 0.51 -0.00 0.00 0.70 0.00 0.00 55.95 57.26 1sxj s SER 115 Cb -0.11 -2.05 0.15 0.00 -1.71 0.00 0.00 66.02 62.30 1sxj s SER 115 CO 0.02 -0.06 0.43 -0.22 1.20 0.00 0.00 173.24 174.61 1sxj s LEU 116 N -3.24 -0.84 0.75 3.45 2.96 -0.78 -5.00 118.68 115.99 1sxj s LEU 116 Ca 0.40 0.09 -0.16 0.00 -0.22 0.00 0.00 54.13 54.25 1sxj s LEU 116 Cb -0.11 1.29 -0.02 0.00 0.50 0.00 0.00 46.19 47.85 1sxj s LEU 116 CO 0.28 -0.31 0.58 0.29 -1.32 0.00 0.00 176.35 175.86 1sxj n LYS 117 N 5.37 0.25 0.00 1.98 4.01 -1.26 -1.13 118.16 127.38 1sxj n LYS 117 Ca -0.01 0.13 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 1sxj n LYS 117 Cb 0.50 -1.89 0.00 0.00 -0.51 0.00 0.00 35.03 33.14 1sxj n LYS 117 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1sxj n LEU 118 N -0.62 0.00 0.00 -0.35 4.77 -1.25 -4.72 117.00 114.83 1sxj n LEU 118 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1sxj n LEU 118 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1sxj n LEU 118 CO 0.50 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.89 1sxj n ASP 120 N 0.00 0.00 -0.48 -1.43 2.03 -1.26 -4.97 116.55 110.44 1sxj n ASP 120 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 1sxj n ASP 120 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 1sxj n ASP 120 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1sxj n ILE 121 N 0.00 0.00 -3.62 5.18 2.08 -1.26 -5.00 119.36 116.74 1sxj n ILE 121 Ca 0.00 -0.49 -0.23 0.00 0.56 0.00 0.00 62.75 62.60 1sxj n ILE 121 Cb 0.00 1.25 0.07 0.00 -0.75 0.00 0.00 39.64 40.21 1sxj n ILE 121 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1sxj n ASP 122 N 0.60 -4.05 -3.74 4.38 8.00 -1.26 -5.00 116.55 115.48 1sxj n ASP 122 Ca 0.07 -0.65 -0.12 0.00 0.71 0.00 0.00 54.79 54.80 1sxj n ASP 122 Cb 0.31 -4.72 -0.11 0.00 -0.02 0.00 0.00 41.12 36.57 1sxj n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sxj s ALA 123 N -3.38 -0.85 -0.33 2.24 0.00 -1.26 -5.06 121.76 113.13 1sxj s ALA 123 Ca 0.34 1.07 0.15 0.00 0.00 0.00 0.00 51.96 53.52 1sxj s ALA 123 Cb -0.16 -0.63 0.43 0.00 0.00 0.00 0.00 23.12 22.76 1sxj s ALA 123 CO 0.76 -0.18 1.41 -0.40 0.00 0.00 0.00 175.76 177.34 1sxj n ASP 124 N 3.29 -0.74 -4.54 0.00 5.75 -1.26 -4.89 116.55 114.16 1sxj n ASP 124 Ca -0.16 -2.22 -0.42 0.00 -0.01 0.00 0.00 54.79 51.98 1sxj n ASP 124 Cb 0.57 0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 41.05 1sxj n ASP 124 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1sxj s PHE 125 N -0.85 2.45 -0.40 2.11 5.36 -1.26 -4.98 117.98 120.41 1sxj s PHE 125 Ca 0.15 -0.04 -0.10 0.00 -0.96 0.00 0.00 56.93 55.99 1sxj s PHE 125 Cb 0.42 -4.51 0.06 0.00 -0.34 0.00 0.00 43.02 38.65 1sxj s PHE 125 CO -0.10 -1.85 0.24 -0.51 -1.46 0.00 0.00 175.22 171.54 1sxj s LEU 126 N 5.16 4.98 -0.09 6.12 1.43 -1.26 -4.89 118.68 130.12 1sxj s LEU 126 Ca 0.34 -1.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.13 1sxj s LEU 126 Cb -0.10 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1sxj s LEU 126 CO 0.17 -0.48 -0.11 -0.54 0.23 0.00 0.00 176.35 175.61 1sxj s LYS 127 N 1.47 1.74 -0.01 1.70 -0.14 -1.26 -5.12 119.74 118.12 1sxj s LYS 127 Ca 0.02 -0.39 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 1sxj s LYS 127 Cb -0.22 -1.55 0.01 0.00 -1.68 0.00 0.00 37.83 34.39 1sxj s LYS 127 CO 0.04 -0.09 -0.00 0.96 -0.76 0.00 0.00 175.35 175.50 1sxj s ILE 128 N 1.06 0.09 0.00 2.17 -5.25 -1.26 -5.06 121.20 112.95 1sxj s ILE 128 Ca -0.07 0.01 0.00 0.00 -0.99 0.00 0.00 60.65 59.60 1sxj s ILE 128 Cb -0.15 -0.13 0.00 0.00 2.95 0.00 0.00 42.46 45.14 1sxj s ILE 128 CO -0.01 0.06 0.00 1.21 -1.79 0.00 0.00 174.94 174.41 1sxj n GLU 129 N 3.42 0.96 -2.51 0.37 2.13 -1.26 -5.08 120.64 118.67 1sxj n GLU 129 Ca -0.17 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.24 1sxj n GLU 129 Cb 0.56 -0.69 -0.04 0.00 0.27 0.00 0.00 31.44 31.54 1sxj n GLU 129 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1sxj s GLU 130 N -1.39 4.62 0.00 5.31 0.41 -1.26 -4.93 118.70 121.46 1sxj s GLU 130 Ca 0.00 1.73 0.06 0.00 -0.41 0.00 0.00 54.97 56.35 1sxj s GLU 130 Cb 0.00 -3.25 0.10 0.00 -1.78 0.00 0.00 34.13 29.20 1sxj s GLU 130 CO 0.00 0.13 0.91 1.28 -0.49 0.00 0.00 175.26 177.09 1sxj n LEU 131 N 2.02 -0.11 -3.15 1.80 4.77 -1.26 -5.06 117.00 116.01 1sxj n LEU 131 Ca 0.01 -1.57 0.05 0.00 -0.03 0.00 0.00 56.01 54.47 1sxj n LEU 131 Cb 0.46 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1sxj n LEU 131 CO 0.54 0.92 0.39 -1.58 -1.33 0.00 0.00 177.39 176.33 1sxj s GLN 132 N 0.00 0.31 0.17 3.23 0.74 -1.26 -5.17 119.66 117.68 1sxj s GLN 132 Ca 0.08 0.41 0.05 0.00 0.05 0.00 0.00 55.36 55.95 1sxj s GLN 132 Cb 0.09 0.21 -0.04 0.00 1.10 0.00 0.00 33.01 34.37 1sxj s GLN 132 CO -0.04 -0.48 0.19 0.71 -0.55 0.00 0.00 175.29 175.12 1sxj s TYR 133 N 2.91 3.24 -0.27 1.67 1.51 -1.26 -5.00 117.35 120.15 1sxj s TYR 133 Ca 0.15 0.01 0.27 0.00 -1.01 0.00 0.00 57.07 56.48 1sxj s TYR 133 Cb -0.08 -1.54 1.14 0.00 -0.11 0.00 0.00 41.96 41.37 1sxj s TYR 133 CO -0.20 0.52 1.80 -0.44 -1.11 0.00 0.00 175.55 176.12 1sxj h ASP 134 N 2.20 0.00 -4.00 2.29 3.32 -1.78 -3.44 116.42 115.00 1sxj h ASP 134 Ca -0.48 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 1sxj h ASP 134 Cb 1.20 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.53 1sxj h ASP 134 CO 0.64 0.00 -0.06 -0.44 -1.72 0.00 0.00 179.24 177.66 1sxj s SER 135 N -4.67 -0.57 -0.05 6.45 0.01 -0.94 -2.10 113.70 111.84 1sxj s SER 135 Ca 0.03 1.07 0.02 0.00 1.31 0.00 0.00 55.95 58.37 1sxj s SER 135 Cb 0.09 1.08 0.02 0.00 0.21 0.00 0.00 66.02 67.42 1sxj s SER 135 CO 0.43 -0.21 -0.08 -0.89 0.41 0.00 0.00 173.24 172.90 1sxj s THR 136 N 0.19 0.76 0.08 1.44 2.01 -0.74 -0.99 115.64 118.40 1sxj s THR 136 Ca -0.01 -0.27 -0.01 0.00 0.31 0.00 0.00 61.69 61.70 1sxj s THR 136 Cb -0.04 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 1sxj s THR 136 CO 0.01 0.27 0.01 -1.48 -0.69 0.00 0.00 174.62 172.74 1sxj s LEU 137 N 0.69 2.17 -0.07 4.42 0.05 0.29 -0.50 118.68 125.73 1sxj s LEU 137 Ca -0.11 -1.06 -0.14 0.00 0.05 0.00 0.00 54.13 52.86 1sxj s LEU 137 Cb -0.14 0.28 0.03 0.00 -2.05 0.00 0.00 46.19 44.31 1sxj s LEU 137 CO 0.01 -0.66 0.34 -0.94 -0.55 0.00 0.00 176.35 174.56 1sxj s SER 138 N -2.97 -0.28 0.24 1.48 1.04 0.11 0.04 113.70 113.37 1sxj s SER 138 Ca 0.13 0.38 -0.20 0.00 0.48 0.00 0.00 55.95 56.74 1sxj s SER 138 Cb 0.08 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.72 1sxj s SER 138 CO -0.06 -0.31 0.64 -1.48 0.98 0.00 0.00 173.24 173.01 1sxj s LEU 139 N -0.66 -0.18 0.24 2.42 2.34 -0.90 -2.34 118.68 119.59 1sxj s LEU 139 Ca -0.08 -0.53 -0.30 0.00 0.06 0.00 0.00 54.13 53.29 1sxj s LEU 139 Cb -0.04 2.50 -0.10 0.00 -0.56 0.00 0.00 46.19 47.98 1sxj s LEU 139 CO 0.03 -1.21 1.48 -2.84 -1.06 0.00 0.00 176.35 172.74 1sxj s PRO 140 N -3.90 4.24 0.49 1.48 0.02 -1.26 -0.45 135.00 135.63 1sxj s PRO 140 Ca 0.10 2.34 0.28 0.00 0.02 0.00 0.00 61.00 63.74 1sxj s PRO 140 Cb -0.04 -3.11 1.36 0.00 0.02 0.00 0.00 34.50 32.74 1sxj s PRO 140 CO 0.02 -0.48 1.85 0.66 -0.33 0.00 0.00 177.00 178.73 1sxj h SER 141 N 5.35 0.15 0.06 2.53 4.64 -1.83 0.47 113.55 124.92 1sxj h SER 141 Ca -0.45 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 60.70 1sxj h SER 141 Cb 1.22 -0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1sxj h SER 141 CO 0.80 0.04 -0.76 0.77 -0.87 0.00 0.00 176.83 176.82 1sxj h SER 142 N 0.14 0.56 -0.08 4.97 4.64 -1.88 -2.33 113.55 119.57 1sxj h SER 142 Ca 0.49 -0.83 0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1sxj h SER 142 Cb 1.68 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.59 1sxj h SER 142 CO -0.08 1.33 0.10 -0.08 -0.87 0.00 0.00 176.83 177.23 1sxj h GLU 143 N -0.13 0.00 0.00 4.77 4.57 -1.32 -2.67 114.58 119.80 1sxj h GLU 143 Ca -0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1sxj h GLU 143 Cb 1.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.09 1sxj h GLU 143 CO 0.15 0.00 -0.12 0.35 -1.18 0.00 0.00 179.01 178.21 1sxj h PHE 144 N 0.00 0.00 -1.59 0.92 3.57 -1.25 -3.30 116.94 115.29 1sxj h PHE 144 Ca 0.04 0.00 0.46 0.00 3.53 0.00 0.00 57.97 62.00 1sxj h PHE 144 Cb 0.24 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 1sxj h PHE 144 CO 0.00 0.00 1.32 -1.13 -2.23 0.00 0.00 178.31 176.27 1sxj n SER 145 N -3.63 0.00 0.02 0.41 3.41 -0.88 -0.41 113.62 112.53 1sxj n SER 145 Ca -0.02 0.88 -0.01 0.00 -0.26 0.00 0.00 58.87 59.47 1sxj n SER 145 Cb 0.06 -0.40 -0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1sxj n SER 145 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1sxj h LYS 146 N 0.00 -0.05 -1.02 4.33 1.63 -1.62 -2.61 116.57 117.23 1sxj h LYS 146 Ca 0.76 0.00 0.42 0.00 -0.85 0.00 0.00 60.65 60.98 1sxj h LYS 146 Cb 3.38 0.01 -0.18 0.00 -0.60 0.00 0.00 32.23 34.84 1sxj h LYS 146 CO -0.01 -0.03 0.56 0.82 -3.45 0.00 0.00 179.45 177.34 1sxj h ILE 147 N -0.08 0.01 0.68 2.00 1.08 -0.81 -0.42 117.51 119.96 1sxj h ILE 147 Ca -0.01 -0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1sxj h ILE 147 Cb 0.04 -0.00 0.01 0.00 -3.07 0.00 0.00 36.82 33.79 1sxj h ILE 147 CO 0.01 0.00 -0.33 0.58 -0.69 0.00 0.00 178.15 177.72 1sxj h VAL 148 N 0.01 0.20 0.00 1.67 2.07 -1.39 -2.84 116.25 115.97 1sxj h VAL 148 Ca 0.85 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 68.10 1sxj h VAL 148 Cb 2.27 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1sxj h VAL 148 CO -0.75 0.02 -0.15 0.08 0.02 0.00 0.00 177.57 176.79 1sxj h ARG 149 N -1.10 0.00 0.62 1.57 0.11 -0.73 -1.07 114.38 113.77 1sxj h ARG 149 Ca -0.09 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.96 1sxj h ARG 149 Cb 0.73 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.82 1sxj h ARG 149 CO 0.15 0.15 -0.30 -0.44 0.10 0.00 0.00 179.97 179.63 1sxj h ASP 150 N 0.00 -0.70 0.03 0.08 3.45 -1.17 -3.13 116.42 114.98 1sxj h ASP 150 Ca -0.00 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.48 1sxj h ASP 150 Cb 0.50 0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 39.45 1sxj h ASP 150 CO 0.02 -0.47 -0.03 -0.07 -1.57 0.00 0.00 179.24 177.12 1sxj h LEU 151 N -0.89 0.00 -2.22 1.55 3.38 -1.39 -2.22 115.31 113.52 1sxj h LEU 151 Ca -0.08 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1sxj h LEU 151 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1sxj h LEU 151 CO 0.14 0.03 0.26 0.28 0.09 0.00 0.00 178.44 179.24 1sxj h SER 152 N 0.00 0.00 0.96 -0.43 0.02 -1.14 0.32 113.55 113.28 1sxj h SER 152 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1sxj h SER 152 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1sxj h SER 152 CO 0.00 0.00 -0.18 1.56 -1.14 0.00 0.00 176.83 177.08 1sxj h GLN 153 N 0.00 0.00 -0.09 3.45 4.20 -1.44 -3.28 115.11 117.95 1sxj h GLN 153 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1sxj h GLN 153 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1sxj h GLN 153 CO -0.00 0.18 0.00 1.28 -0.67 0.00 0.00 178.83 179.62 1sxj n LEU 154 N -3.33 2.17 -3.61 1.46 4.32 0.09 -5.01 117.00 113.10 1sxj n LEU 154 Ca 0.00 -1.23 -0.06 0.00 -0.02 0.00 0.00 56.01 54.71 1sxj n LEU 154 Cb 0.41 -0.05 -0.02 0.00 -1.62 0.00 0.00 43.42 42.14 1sxj n LEU 154 CO 0.32 0.45 0.74 -0.55 -1.22 0.00 0.00 177.39 177.13 1sxj s SER 155 N -0.96 -0.27 0.07 -1.43 0.15 -1.18 -2.58 113.70 107.51 1sxj s SER 155 Ca 0.16 -0.15 0.23 0.00 0.70 0.00 0.00 55.95 56.88 1sxj s SER 155 Cb 0.10 0.39 0.10 0.00 -1.71 0.00 0.00 66.02 64.91 1sxj s SER 155 CO 0.15 -0.68 1.08 0.47 1.20 0.00 0.00 173.24 175.46 1sxj n ASP 156 N -0.33 0.63 -4.28 5.45 8.00 -1.26 -4.63 116.55 120.13 1sxj n ASP 156 Ca -0.07 -0.09 -0.28 0.00 0.71 0.00 0.00 54.79 55.05 1sxj n ASP 156 Cb 0.61 0.66 -0.15 0.00 -0.02 0.00 0.00 41.12 42.22 1sxj n ASP 156 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1sxj s SER 157 N -4.10 2.75 -0.06 -2.24 0.01 -1.26 -0.19 113.70 108.60 1sxj s SER 157 Ca 0.04 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.85 1sxj s SER 157 Cb 0.14 -0.27 0.01 0.00 0.21 0.00 0.00 66.02 66.10 1sxj s SER 157 CO 0.78 0.25 -0.15 -0.63 0.41 0.00 0.00 173.24 173.90 1sxj s ILE 158 N -0.66 1.36 -0.33 1.44 1.01 -0.60 -4.54 121.20 118.88 1sxj s ILE 158 Ca 0.09 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 1sxj s ILE 158 Cb -0.09 -1.20 0.03 0.00 0.01 0.00 0.00 42.46 41.20 1sxj s ILE 158 CO 0.00 0.40 0.10 0.21 0.00 0.00 0.00 174.94 175.66 1sxj s ASN 159 N 0.41 5.28 0.76 3.58 2.47 0.31 -0.63 114.94 127.12 1sxj s ASN 159 Ca -0.12 -0.99 -0.07 0.00 0.42 0.00 0.00 52.86 52.10 1sxj s ASN 159 Cb -0.15 -1.88 0.10 0.00 -1.45 0.00 0.00 41.25 37.87 1sxj s ASN 159 CO 0.04 -0.29 1.07 -0.63 -3.72 0.00 0.00 177.10 173.57 1sxj s ILE 160 N 1.44 2.20 -0.30 -5.21 1.09 -1.08 -1.40 121.20 117.94 1sxj s ILE 160 Ca -0.00 -0.29 -0.08 0.00 -1.10 0.00 0.00 60.65 59.18 1sxj s ILE 160 Cb -0.19 -2.90 0.18 0.00 -1.06 0.00 0.00 42.46 38.49 1sxj s ILE 160 CO 0.03 0.00 0.91 -0.63 -0.10 0.00 0.00 174.94 175.15 1sxj s ILE 162 N -3.35 -0.51 0.35 2.92 -1.09 -0.24 -3.84 121.20 115.44 1sxj s ILE 162 Ca 0.64 0.00 0.09 0.00 -2.23 0.00 0.00 60.65 59.15 1sxj s ILE 162 Cb -0.08 -0.78 -0.06 0.00 -1.58 0.00 0.00 42.46 39.96 1sxj s ILE 162 CO 0.46 0.00 -0.01 -0.89 -1.23 0.00 0.00 174.94 173.27 1sxj s THR 163 N 2.92 2.44 -0.48 2.92 2.01 -0.82 -1.79 115.64 122.84 1sxj s THR 163 Ca 0.13 -2.03 -0.12 0.00 0.31 0.00 0.00 61.69 59.98 1sxj s THR 163 Cb -0.08 -2.78 -0.12 0.00 0.01 0.00 0.00 72.50 69.52 1sxj s THR 163 CO -0.18 -0.17 1.22 0.29 -0.69 0.00 0.00 174.62 175.08 1sxj n LYS 164 N -0.93 0.00 -3.90 4.92 5.02 -1.26 0.35 118.16 122.37 1sxj n LYS 164 Ca -0.04 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.94 1sxj n LYS 164 Cb 0.63 -0.65 -0.01 0.00 -0.02 0.00 0.00 35.03 34.98 1sxj n LYS 164 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1sxj n GLU 165 N 3.67 -3.78 -3.51 1.97 -0.58 -1.26 -4.96 120.64 112.19 1sxj n GLU 165 Ca 0.32 0.45 -0.17 0.00 -0.42 0.00 0.00 57.16 57.34 1sxj n GLU 165 Cb 0.03 -5.22 -0.13 0.00 -0.57 0.00 0.00 31.44 25.55 1sxj n GLU 165 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1sxj s THR 166 N -3.17 -0.34 -0.26 2.62 -4.23 0.16 -4.63 115.64 105.79 1sxj s THR 166 Ca 0.63 -0.05 -0.25 0.00 -1.18 0.00 0.00 61.69 60.84 1sxj s THR 166 Cb -0.33 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 72.87 1sxj s THR 166 CO 0.77 -0.15 0.87 -0.63 -0.54 0.00 0.00 174.62 174.95 1sxj s ILE 167 N 2.34 4.78 -0.12 2.99 1.01 -1.07 -1.94 121.20 129.19 1sxj s ILE 167 Ca 0.06 1.58 0.02 0.00 0.00 0.00 0.00 60.65 62.31 1sxj s ILE 167 Cb -0.15 -4.17 0.01 0.00 0.01 0.00 0.00 42.46 38.16 1sxj s ILE 167 CO -0.11 -0.15 -0.16 -0.75 0.00 0.00 0.00 174.94 173.76 1sxj s LYS 168 N 2.98 2.32 -0.17 2.79 2.20 -1.26 -2.06 119.74 126.54 1sxj s LYS 168 Ca 0.37 -0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 55.36 1sxj s LYS 168 Cb -0.15 -1.97 -0.02 0.00 -1.51 0.00 0.00 37.83 34.18 1sxj s LYS 168 CO 0.09 -0.08 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.86 1sxj s PHE 169 N 1.02 2.92 0.06 4.03 0.40 -0.51 -4.20 117.98 121.70 1sxj s PHE 169 Ca -0.05 -0.64 0.03 0.00 -0.60 0.00 0.00 56.93 55.66 1sxj s PHE 169 Cb -0.15 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 1sxj s PHE 169 CO -0.03 -0.27 -0.09 0.08 0.70 0.00 0.00 175.22 175.61 1sxj s VAL 170 N 0.73 0.69 -0.11 -0.44 1.01 -0.49 -1.00 120.40 120.79 1sxj s VAL 170 Ca -0.03 -1.24 -0.05 0.00 0.00 0.00 0.00 61.98 60.65 1sxj s VAL 170 Cb -0.15 -0.85 0.05 0.00 0.00 0.00 0.00 36.38 35.43 1sxj s VAL 170 CO 0.02 -0.41 0.25 0.00 0.00 0.00 0.00 175.10 174.96 1sxj s ALA 171 N -1.65 -0.56 -0.13 5.51 0.00 0.31 -0.53 121.76 124.71 1sxj s ALA 171 Ca -0.05 0.98 0.03 0.00 0.00 0.00 0.00 51.96 52.92 1sxj s ALA 171 Cb -0.08 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.31 1sxj s ALA 171 CO 0.00 -0.32 -0.22 0.34 0.00 0.00 0.00 175.76 175.56 1sxj s ASP 172 N 1.58 3.10 0.00 0.00 2.15 -1.26 -0.01 116.67 122.23 1sxj s ASP 172 Ca -0.06 -0.60 0.00 0.00 0.43 0.00 0.00 52.55 52.32 1sxj s ASP 172 Cb -0.11 -1.44 0.00 0.00 -0.30 0.00 0.00 42.92 41.08 1sxj s ASP 172 CO -0.09 0.09 0.00 0.61 -0.17 0.00 0.00 175.17 175.62 1sxj n GLY 173 N 3.97 4.38 0.10 2.66 0.00 -0.05 -4.70 105.19 111.54 1sxj n GLY 173 Ca -0.20 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 1sxj n GLY 173 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sxj h ASP 174 N 0.00 0.20 1.38 1.61 3.32 -1.98 -3.24 116.42 117.71 1sxj h ASP 174 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1sxj h ASP 174 Cb 0.00 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1sxj h ASP 174 CO 0.00 0.47 -0.24 0.16 -1.72 0.00 0.00 179.24 177.91 1sxj h ILE 175 N -0.08 0.00 0.00 0.35 -0.00 -1.95 -3.49 117.51 112.34 1sxj h ILE 175 Ca 0.03 -0.62 0.00 0.00 -0.00 0.00 0.00 64.86 64.27 1sxj h ILE 175 Cb 0.37 1.47 0.00 0.00 -0.00 0.00 0.00 36.82 38.66 1sxj h ILE 175 CO 0.01 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.77 1sxj n GLY 176 N 1.27 -0.82 3.57 0.16 0.00 -1.22 -5.16 105.19 102.98 1sxj n GLY 176 Ca 0.04 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 1sxj n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sxj s SER 177 N -4.00 3.53 -0.19 1.61 1.04 -1.26 -0.87 113.70 113.56 1sxj s SER 177 Ca 0.00 -1.35 -0.12 0.00 0.48 0.00 0.00 55.95 54.96 1sxj s SER 177 Cb 0.00 -0.32 0.06 0.00 0.10 0.00 0.00 66.02 65.85 1sxj s SER 177 CO 0.00 -0.46 0.46 -0.83 0.98 0.00 0.00 173.24 173.39 1sxj s GLY 178 N -3.65 -0.37 -0.07 7.32 0.00 0.99 -4.99 107.32 106.55 1sxj s GLY 178 Ca 0.35 1.60 -0.03 0.00 0.00 0.00 0.00 44.72 46.64 1sxj s GLY 178 CO 0.17 1.66 0.14 -0.45 0.00 0.00 0.00 173.10 174.62 1sxj s SER 179 N 1.19 0.72 -0.23 1.64 0.15 -1.26 -0.53 113.70 115.38 1sxj s SER 179 Ca -0.08 0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.85 1sxj s SER 179 Cb -0.07 0.19 0.03 0.00 -1.71 0.00 0.00 66.02 64.46 1sxj s SER 179 CO -0.11 -0.23 -0.10 -0.69 1.20 0.00 0.00 173.24 173.30 1sxj s VAL 180 N 2.14 2.61 -0.38 4.45 1.01 -0.17 -5.00 120.40 125.07 1sxj s VAL 180 Ca 0.02 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1sxj s VAL 180 Cb -0.12 -2.29 0.10 0.00 0.00 0.00 0.00 36.38 34.08 1sxj s VAL 180 CO -0.05 0.28 0.14 -0.63 0.00 0.00 0.00 175.10 174.84 1sxj s ILE 181 N 1.30 2.98 -0.04 2.22 1.09 -1.26 -1.42 121.20 126.06 1sxj s ILE 181 Ca 0.01 -2.06 -0.01 0.00 -1.10 0.00 0.00 60.65 57.49 1sxj s ILE 181 Cb -0.16 -3.04 -0.04 0.00 -1.06 0.00 0.00 42.46 38.16 1sxj s ILE 181 CO -0.07 -0.60 0.05 0.27 -0.10 0.00 0.00 174.94 174.49 1sxj s ILE 182 N 1.09 4.57 0.34 2.92 -5.25 -0.88 -4.98 121.20 119.02 1sxj s ILE 182 Ca 0.07 -0.32 0.07 0.00 -0.99 0.00 0.00 60.65 59.48 1sxj s ILE 182 Cb -0.21 -3.01 -0.03 0.00 2.95 0.00 0.00 42.46 42.15 1sxj s ILE 182 CO -0.05 0.47 0.30 -0.54 -1.79 0.00 0.00 174.94 173.33 1sxj s LYS 183 N -1.34 2.73 -0.31 0.37 1.02 -1.26 -2.61 119.74 118.34 1sxj s LYS 183 Ca 0.18 -1.29 -0.29 0.00 0.02 0.00 0.00 55.97 54.59 1sxj s LYS 183 Cb -0.12 -2.48 -0.00 0.00 -0.52 0.00 0.00 37.83 34.71 1sxj s LYS 183 CO 0.08 0.09 1.39 -2.14 -0.92 0.00 0.00 175.35 173.86 1sxj s PRO 184 N -4.00 3.82 0.05 -1.68 0.02 -1.26 -4.77 135.00 127.18 1sxj s PRO 184 Ca 0.41 1.27 -0.00 0.00 0.02 0.00 0.00 61.00 62.70 1sxj s PRO 184 Cb -0.06 -3.94 -0.03 0.00 0.02 0.00 0.00 34.50 30.49 1sxj s PRO 184 CO 0.27 -1.25 -0.04 -0.59 -0.33 0.00 0.00 177.00 175.06 1sxj s PHE 185 N 4.78 0.49 -0.06 6.54 -0.12 0.61 -4.93 117.98 125.29 1sxj s PHE 185 Ca 0.60 -0.88 0.01 0.00 -0.05 0.00 0.00 56.93 56.61 1sxj s PHE 185 Cb -0.18 -0.35 0.02 0.00 -0.63 0.00 0.00 43.02 41.89 1sxj s PHE 185 CO 0.26 -0.29 -0.05 0.08 -0.05 0.00 0.00 175.22 175.17 1sxj s VAL 186 N -3.09 0.63 0.00 -2.49 1.01 -1.26 0.13 120.40 115.32 1sxj s VAL 186 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1sxj s VAL 186 Cb 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1sxj s VAL 186 CO -0.07 0.26 0.00 -0.67 0.00 0.00 0.00 175.10 174.63 1sxj n ASP 187 N 4.32 0.11 0.00 3.32 -0.08 -1.26 -5.03 116.55 117.92 1sxj n ASP 187 Ca -0.20 -0.89 0.00 0.00 -1.51 0.00 0.00 54.79 52.19 1sxj n ASP 187 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 1sxj n ASP 187 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1sxj n GLU 189 N -0.84 0.00 -3.34 -0.67 1.02 -1.26 -2.34 120.64 113.21 1sxj n GLU 189 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 1sxj n GLU 189 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 1sxj n GLU 189 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1sxj n HIS 190 N 0.00 0.08 0.02 -0.32 8.25 -1.26 -4.97 115.22 117.02 1sxj n HIS 190 Ca 0.00 -3.58 0.13 0.00 -0.26 0.00 0.00 57.72 54.01 1sxj n HIS 190 Cb 0.00 -0.17 0.58 0.00 1.12 0.00 0.00 29.99 31.52 1sxj n HIS 190 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1sxj h PRO 191 N 4.70 0.21 -0.48 -0.41 0.11 -1.88 -2.75 132.00 131.49 1sxj h PRO 191 Ca 0.16 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 1sxj h PRO 191 Cb 0.86 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 1sxj h PRO 191 CO 0.48 0.14 0.13 0.93 -0.21 0.00 0.00 178.00 179.47 1sxj h GLU 192 N 0.21 0.77 0.00 1.05 5.08 -1.93 -2.38 114.58 117.38 1sxj h GLU 192 Ca 0.20 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1sxj h GLU 192 Cb 0.52 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1sxj h GLU 192 CO -0.04 0.75 0.00 -2.37 -1.00 0.00 0.00 179.01 176.35 1sxj n THR 193 N -4.48 0.00 -1.75 1.13 5.66 -1.04 -4.48 114.28 109.32 1sxj n THR 193 Ca 0.01 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.68 1sxj n THR 193 Cb 0.21 -0.27 0.05 0.00 -1.55 0.00 0.00 70.33 68.77 1sxj n THR 193 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1sxj s SER 194 N -1.51 5.12 -0.20 1.09 0.01 -0.90 -4.86 113.70 112.46 1sxj s SER 194 Ca 0.22 1.98 -0.00 0.00 1.31 0.00 0.00 55.95 59.45 1sxj s SER 194 Cb 0.10 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.84 1sxj s SER 194 CO 0.17 -1.62 -0.04 -0.63 0.41 0.00 0.00 173.24 171.53 1sxj s ILE 195 N -2.38 1.22 -0.01 1.44 1.01 0.34 -4.53 121.20 118.28 1sxj s ILE 195 Ca 0.66 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 1sxj s ILE 195 Cb -0.20 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1sxj s ILE 195 CO 0.42 -0.04 0.09 -0.54 0.00 0.00 0.00 174.94 174.88 1sxj s LYS 196 N 1.55 3.12 -0.20 2.79 1.02 -0.99 -0.28 119.74 126.75 1sxj s LYS 196 Ca -0.03 -0.46 -0.06 0.00 0.02 0.00 0.00 55.97 55.45 1sxj s LYS 196 Cb -0.17 -2.89 0.10 0.00 -0.52 0.00 0.00 37.83 34.34 1sxj s LYS 196 CO -0.07 0.65 0.39 -1.17 -0.92 0.00 0.00 175.35 174.23 1sxj s LEU 197 N -1.74 -0.60 0.30 3.17 2.96 -1.26 -0.71 118.68 120.81 1sxj s LEU 197 Ca 0.23 0.78 0.09 0.00 -0.22 0.00 0.00 54.13 55.01 1sxj s LEU 197 Cb -0.12 1.22 -0.04 0.00 0.50 0.00 0.00 46.19 47.74 1sxj s LEU 197 CO 0.14 -0.25 0.09 -0.70 -1.32 0.00 0.00 176.35 174.32 1sxj s GLU 198 N 2.57 2.39 0.05 1.98 2.12 0.34 -5.00 118.70 123.16 1sxj s GLU 198 Ca 0.02 -1.45 0.00 0.00 0.36 0.00 0.00 54.97 53.89 1sxj s GLU 198 Cb -0.13 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.06 1sxj s GLU 198 CO -0.13 0.23 0.00 -0.25 -0.54 0.00 0.00 175.26 174.58 1sxj n ASP 200 N -1.06 -0.41 -4.37 -1.70 8.00 -0.89 -1.78 116.55 114.34 1sxj n ASP 200 Ca -0.05 0.14 -0.32 0.00 0.71 0.00 0.00 54.79 55.28 1sxj n ASP 200 Cb 0.60 0.61 -0.15 0.00 -0.02 0.00 0.00 41.12 42.17 1sxj n ASP 200 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1sxj s GLN 201 N -1.20 2.65 0.65 -1.24 -0.21 -1.17 -5.10 119.66 114.04 1sxj s GLN 201 Ca 0.00 -0.79 -0.17 0.00 0.02 0.00 0.00 55.36 54.42 1sxj s GLN 201 Cb 0.00 -2.32 -0.06 0.00 1.00 0.00 0.00 33.01 31.63 1sxj s GLN 201 CO 0.00 0.45 0.53 -2.30 -2.12 0.00 0.00 175.29 171.86 1sxj n PRO 202 N 2.78 0.41 -4.23 2.91 -0.02 -1.26 -4.63 135.00 130.96 1sxj n PRO 202 Ca -0.17 0.17 -0.17 0.00 -2.02 0.00 0.00 63.50 61.32 1sxj n PRO 202 Cb 0.52 -1.78 -0.14 0.00 -0.02 0.00 0.00 33.50 32.08 1sxj n PRO 202 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sxj s VAL 203 N -1.81 0.57 -0.27 -1.45 1.01 -0.74 -4.82 120.40 112.88 1sxj s VAL 203 Ca 0.67 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 62.20 1sxj s VAL 203 Cb -0.39 -0.51 0.14 0.00 0.00 0.00 0.00 36.38 35.62 1sxj s VAL 203 CO 0.56 0.07 0.35 -0.62 0.00 0.00 0.00 175.10 175.46 1sxj s ASP 204 N -0.42 0.84 -0.15 3.32 2.15 -1.26 -1.08 116.67 120.07 1sxj s ASP 204 Ca 0.01 -0.35 -0.11 0.00 0.43 0.00 0.00 52.55 52.53 1sxj s ASP 204 Cb -0.04 0.86 0.05 0.00 -0.30 0.00 0.00 42.92 43.49 1sxj s ASP 204 CO -0.00 -0.35 0.37 -1.48 -0.17 0.00 0.00 175.17 173.54 1sxj s LEU 205 N 2.47 0.30 0.10 -1.34 0.05 -1.25 -4.89 118.68 114.12 1sxj s LEU 205 Ca 0.10 0.78 -0.06 0.00 0.05 0.00 0.00 54.13 55.00 1sxj s LEU 205 Cb -0.14 1.25 -0.05 0.00 -2.05 0.00 0.00 46.19 45.20 1sxj s LEU 205 CO -0.26 -0.16 0.36 -0.89 -0.55 0.00 0.00 176.35 174.85 1sxj s THR 206 N 0.78 5.18 0.37 5.48 2.01 -1.26 -2.64 115.64 125.54 1sxj s THR 206 Ca -0.05 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.15 1sxj s THR 206 Cb -0.06 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1sxj s THR 206 CO -0.06 0.17 0.08 -0.36 -0.69 0.00 0.00 174.62 173.77 1sxj s PHE 207 N -1.52 1.88 -0.43 4.92 0.40 0.20 -2.81 117.98 120.62 1sxj s PHE 207 Ca 0.36 -1.09 -0.16 0.00 -0.60 0.00 0.00 56.93 55.44 1sxj s PHE 207 Cb -0.13 -1.24 0.03 0.00 0.51 0.00 0.00 43.02 42.19 1sxj s PHE 207 CO 0.21 -0.11 0.37 0.20 0.70 0.00 0.00 175.22 176.59 1sxj s GLY 208 N -3.55 1.97 0.51 4.36 0.00 -1.26 -1.56 107.32 107.79 1sxj s GLY 208 Ca 0.30 -1.73 0.41 0.00 0.00 0.00 0.00 44.72 43.70 1sxj s GLY 208 CO 0.14 1.03 1.60 0.00 0.00 0.00 0.00 173.10 175.87 1sxj h ALA 209 N 8.69 3.36 -0.11 3.20 0.00 -0.90 -1.07 119.26 132.44 1sxj h ALA 209 Ca -0.27 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1sxj h ALA 209 Cb 1.11 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1sxj h ALA 209 CO 0.78 -1.96 -0.09 0.87 0.00 0.00 0.00 179.25 178.86 1sxj h LYS 210 N 0.02 -0.03 0.39 0.00 1.57 -1.92 0.26 116.57 116.85 1sxj h LYS 210 Ca 0.88 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.65 1sxj h LYS 210 Cb 3.24 0.01 0.00 0.00 0.08 0.00 0.00 32.23 35.56 1sxj h LYS 210 CO -0.20 -0.02 -0.19 1.88 -0.57 0.00 0.00 179.45 180.35 1sxj h TYR 211 N -0.03 -0.49 -1.49 -1.35 -1.99 -1.59 -2.72 116.97 107.31 1sxj h TYR 211 Ca 0.02 -0.01 0.50 0.00 2.00 0.00 0.00 58.73 61.23 1sxj h TYR 211 Cb 0.07 0.16 -0.13 0.00 2.00 0.00 0.00 36.73 38.84 1sxj h TYR 211 CO -0.79 -0.25 0.98 -0.11 -0.00 0.00 0.00 178.16 177.99 1sxj n LEU 212 N -5.28 0.18 0.19 3.88 7.94 -1.03 -0.15 117.00 122.73 1sxj n LEU 212 Ca -0.11 1.33 -0.12 0.00 -1.11 0.00 0.00 56.01 56.00 1sxj n LEU 212 Cb 0.25 -0.65 -0.07 0.00 0.53 0.00 0.00 43.42 43.48 1sxj n LEU 212 CO 0.35 -1.43 0.39 -0.07 -1.11 0.00 0.00 177.39 175.52 1sxj h LEU 213 N 0.00 -0.44 -2.03 -1.96 3.38 -0.62 -2.88 115.31 110.76 1sxj h LEU 213 Ca 0.90 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.83 1sxj h LEU 213 Cb 3.02 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 43.87 1sxj h LEU 213 CO -0.39 -0.02 0.38 0.44 0.09 0.00 0.00 178.44 178.94 1sxj h ASP 214 N -0.99 0.00 0.20 -0.43 3.32 -0.48 -1.44 116.42 116.61 1sxj h ASP 214 Ca -0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1sxj h ASP 214 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1sxj h ASP 214 CO 0.09 0.00 -0.10 0.40 -1.72 0.00 0.00 179.24 177.91 1sxj h ILE 215 N 0.00 0.88 0.00 0.35 5.03 -0.98 -3.11 117.51 119.68 1sxj h ILE 215 Ca 0.14 -0.75 0.00 0.00 -0.12 0.00 0.00 64.86 64.13 1sxj h ILE 215 Cb 0.90 1.30 0.00 0.00 -3.03 0.00 0.00 36.82 35.99 1sxj h ILE 215 CO -0.00 0.16 0.00 2.30 -0.68 0.00 0.00 178.15 179.93 1sxj n ILE 216 N -5.04 0.00 0.36 -0.67 -6.64 -0.54 -1.07 119.36 105.76 1sxj n ILE 216 Ca -0.09 0.00 0.12 0.00 -1.77 0.00 0.00 62.75 61.01 1sxj n ILE 216 Cb 0.25 -0.40 0.07 0.00 -1.44 0.00 0.00 39.64 38.12 1sxj n ILE 216 CO 0.00 0.00 0.00 0.11 -1.77 0.00 0.00 176.55 174.89 1sxj h LYS 217 N 0.16 0.00 0.00 6.28 1.57 -1.62 -3.20 116.57 119.76 1sxj h LYS 217 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sxj h LYS 217 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1sxj h LYS 217 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1sxj n GLY 218 N 1.27 -0.78 0.00 3.86 0.00 -0.23 -2.74 105.19 106.57 1sxj n GLY 218 Ca 0.02 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.92 1sxj n GLY 218 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sxj n SER 219 N -0.99 0.00 0.13 1.61 7.64 -1.21 -0.61 113.62 120.20 1sxj n SER 219 Ca 0.18 0.32 0.12 0.00 1.01 0.00 0.00 58.87 60.50 1sxj n SER 219 Cb 0.08 -0.38 0.08 0.00 -1.01 0.00 0.00 64.21 62.99 1sxj n SER 219 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1sxj h SER 220 N 0.00 0.00 1.70 6.43 4.64 -1.80 -3.31 113.55 121.20 1sxj h SER 220 Ca 0.00 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1sxj h SER 220 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1sxj h SER 220 CO 0.00 0.01 -0.31 0.25 -0.87 0.00 0.00 176.83 175.92 1sxj h LEU 221 N 0.00 0.00 0.00 5.97 5.85 -1.01 -3.45 115.31 122.67 1sxj h LEU 221 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1sxj h LEU 221 Cb 0.96 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1sxj h LEU 221 CO 0.00 0.12 0.10 -1.54 -0.34 0.00 0.00 178.44 176.78 1sxj n SER 222 N -3.05 -1.35 -0.59 1.25 3.41 -1.24 -4.85 113.62 107.20 1sxj n SER 222 Ca 0.02 -2.13 0.06 0.00 -0.26 0.00 0.00 58.87 56.56 1sxj n SER 222 Cb 0.59 2.31 0.19 0.00 -0.26 0.00 0.00 64.21 67.04 1sxj n SER 222 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1sxj n ASP 223 N -1.48 2.59 -3.54 4.04 8.00 -1.26 -4.76 116.55 120.13 1sxj n ASP 223 Ca -0.04 -3.39 -0.01 0.00 0.71 0.00 0.00 54.79 52.07 1sxj n ASP 223 Cb 0.40 -0.52 -0.05 0.00 -0.02 0.00 0.00 41.12 40.92 1sxj n ASP 223 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1sxj s ARG 224 N -3.02 0.33 -0.09 -1.24 3.52 -1.26 -3.58 118.95 113.60 1sxj s ARG 224 Ca 0.38 0.66 -0.01 0.00 -0.13 0.00 0.00 55.73 56.63 1sxj s ARG 224 Cb 0.34 0.22 -0.03 0.00 -1.56 0.00 0.00 34.95 33.92 1sxj s ARG 224 CO 0.02 -0.08 -0.04 0.54 -0.81 0.00 0.00 175.30 174.92 1sxj s VAL 225 N 1.78 3.95 -0.07 7.11 0.11 0.40 -4.13 120.40 129.55 1sxj s VAL 225 Ca -0.06 -0.37 -0.03 0.00 -2.93 0.00 0.00 61.98 58.58 1sxj s VAL 225 Cb -0.05 -2.66 -0.04 0.00 -1.53 0.00 0.00 36.38 32.11 1sxj s VAL 225 CO -0.16 0.58 0.08 -0.83 -3.33 0.00 0.00 175.10 171.44 1sxj s GLY 226 N -0.56 2.02 -0.05 6.54 0.00 0.26 -2.12 107.32 113.42 1sxj s GLY 226 Ca 0.09 -0.77 -0.01 0.00 0.00 0.00 0.00 44.72 44.03 1sxj s GLY 226 CO 0.02 -0.57 0.01 -0.42 0.00 0.00 0.00 173.10 172.15 1sxj s ILE 227 N -1.05 0.18 -0.17 0.90 1.01 0.11 -0.34 121.20 121.84 1sxj s ILE 227 Ca 0.18 0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1sxj s ILE 227 Cb -0.12 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 42.02 1sxj s ILE 227 CO 0.07 0.19 -0.16 0.00 0.00 0.00 0.00 174.94 175.05 1sxj s ARG 228 N 1.59 3.17 0.19 2.79 3.03 -0.18 -0.54 118.95 129.00 1sxj s ARG 228 Ca -0.02 -0.76 0.08 0.00 2.03 0.00 0.00 55.73 57.06 1sxj s ARG 228 Cb -0.13 -2.64 -0.04 0.00 -1.03 0.00 0.00 34.95 31.11 1sxj s ARG 228 CO -0.03 -0.06 -0.03 -0.51 -1.13 0.00 0.00 175.30 173.54 1sxj s LEU 229 N 0.99 3.21 -0.30 -1.89 2.01 -0.16 -1.89 118.68 120.64 1sxj s LEU 229 Ca -0.02 -0.48 -0.10 0.00 0.01 0.00 0.00 54.13 53.53 1sxj s LEU 229 Cb -0.15 -1.85 0.17 0.00 0.01 0.00 0.00 46.19 44.37 1sxj s LEU 229 CO -0.03 0.08 0.84 -0.55 1.01 0.00 0.00 176.35 177.70 1sxj s SER 230 N -3.03 -0.85 0.25 2.29 0.15 -1.26 -2.20 113.70 109.04 1sxj s SER 230 Ca 0.27 0.86 -0.27 0.00 0.70 0.00 0.00 55.95 57.51 1sxj s SER 230 Cb -0.09 1.85 -0.16 0.00 -1.71 0.00 0.00 66.02 65.91 1sxj s SER 230 CO 0.18 -0.16 0.53 -1.54 1.20 0.00 0.00 173.24 173.45 1sxj n SER 231 N 5.28 -1.10 -3.90 5.45 3.41 -1.26 -1.51 113.62 119.99 1sxj n SER 231 Ca -0.07 1.09 -0.31 0.00 -0.26 0.00 0.00 58.87 59.32 1sxj n SER 231 Cb 0.52 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1sxj n SER 231 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sxj n GLU 232 N 0.98 -4.22 -3.72 4.33 1.02 -1.26 -4.96 120.64 112.82 1sxj n GLU 232 Ca 0.16 0.50 -0.12 0.00 -0.02 0.00 0.00 57.16 57.68 1sxj n GLU 232 Cb 0.28 -5.30 -0.10 0.00 -0.02 0.00 0.00 31.44 26.30 1sxj n GLU 232 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sxj s ALA 233 N -3.21 -1.01 0.03 0.62 0.00 -0.57 -5.10 121.76 112.51 1sxj s ALA 233 Ca 0.64 1.33 -0.37 0.00 0.00 0.00 0.00 51.96 53.55 1sxj s ALA 233 Cb -0.34 -0.79 -0.17 0.00 0.00 0.00 0.00 23.12 21.83 1sxj s ALA 233 CO 0.79 -0.23 1.40 -2.30 0.00 0.00 0.00 175.76 175.42 1sxj n PRO 234 N 3.57 1.12 -2.58 0.00 -0.02 -1.26 -4.50 135.00 131.33 1sxj n PRO 234 Ca -0.18 0.40 -0.36 0.00 -2.02 0.00 0.00 63.50 61.34 1sxj n PRO 234 Cb 0.56 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 1sxj n PRO 234 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sxj s ALA 235 N 0.95 3.09 -0.22 3.55 0.00 0.06 -4.78 121.76 124.40 1sxj s ALA 235 Ca 0.87 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 1sxj s ALA 235 Cb -0.98 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 18.89 1sxj s ALA 235 CO 0.50 -0.17 -0.08 -1.17 0.00 0.00 0.00 175.76 174.84 1sxj s LEU 236 N -2.63 2.85 -0.30 0.00 1.98 -0.79 -1.20 118.68 118.58 1sxj s LEU 236 Ca 0.57 -0.63 -0.07 0.00 -2.89 0.00 0.00 54.13 51.12 1sxj s LEU 236 Cb -0.21 -1.66 0.02 0.00 0.66 0.00 0.00 46.19 45.00 1sxj s LEU 236 CO 0.26 -0.06 0.08 -0.36 -1.89 0.00 0.00 176.35 174.39 1sxj s PHE 237 N 1.38 3.17 -0.04 5.38 0.40 0.08 -1.01 117.98 127.33 1sxj s PHE 237 Ca 0.04 -1.10 0.03 0.00 -0.60 0.00 0.00 56.93 55.30 1sxj s PHE 237 Cb -0.15 -2.25 -0.03 0.00 0.51 0.00 0.00 43.02 41.10 1sxj s PHE 237 CO -0.06 -0.62 -0.10 -1.14 0.70 0.00 0.00 175.22 174.00 1sxj s GLN 238 N 1.47 2.58 -0.33 0.44 0.74 0.54 -0.02 119.66 125.08 1sxj s GLN 238 Ca 0.02 -0.66 -0.00 0.00 0.05 0.00 0.00 55.36 54.76 1sxj s GLN 238 Cb -0.18 -2.47 0.08 0.00 1.10 0.00 0.00 33.01 31.54 1sxj s GLN 238 CO 0.02 0.63 0.05 -0.06 -0.55 0.00 0.00 175.29 175.38 1sxj s PHE 239 N -0.82 3.44 0.46 1.67 0.08 -0.05 -0.57 117.98 122.19 1sxj s PHE 239 Ca 0.13 -2.27 -0.25 0.00 0.12 0.00 0.00 56.93 54.66 1sxj s PHE 239 Cb -0.11 -2.53 -0.08 0.00 -0.57 0.00 0.00 43.02 39.73 1sxj s PHE 239 CO 0.02 -0.88 1.43 -0.51 -0.10 0.00 0.00 175.22 175.18 1sxj s ASP 240 N 1.33 5.79 -0.08 1.36 1.01 -1.26 -2.55 116.67 122.28 1sxj s ASP 240 Ca 0.01 2.94 -0.10 0.00 0.71 0.00 0.00 52.55 56.10 1sxj s ASP 240 Cb -0.20 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.09 1sxj s ASP 240 CO -0.04 -1.24 0.27 -0.22 0.21 0.00 0.00 175.17 174.16 1sxj s LEU 241 N -2.81 0.99 0.20 1.23 2.96 -0.97 -4.57 118.68 115.71 1sxj s LEU 241 Ca 0.62 0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 54.86 1sxj s LEU 241 Cb -0.44 0.98 0.33 0.00 0.50 0.00 0.00 46.19 47.56 1sxj s LEU 241 CO 0.56 -0.19 1.13 0.29 -1.32 0.00 0.00 176.35 176.82 1sxj n LYS 242 N 2.46 -0.07 -0.02 1.98 4.76 -1.26 -1.84 118.16 124.17 1sxj n LYS 242 Ca -0.15 1.13 0.02 0.00 -2.87 0.00 0.00 58.31 56.43 1sxj n LYS 242 Cb 0.57 -1.69 0.02 0.00 -1.84 0.00 0.00 35.03 32.10 1sxj n LYS 242 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1sxj n SER 243 N -5.18 1.92 0.00 4.39 3.41 -1.26 -4.93 113.62 111.97 1sxj n SER 243 Ca 0.11 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1sxj n SER 243 Cb 0.36 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1sxj n SER 243 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sxj n GLY 244 N -0.63 2.37 0.00 5.00 0.00 -0.77 0.53 105.19 111.70 1sxj n GLY 244 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1sxj n GLY 244 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1sxj n PHE 245 N 0.00 0.00 -4.09 1.61 1.16 0.13 -2.30 117.46 113.96 1sxj n PHE 245 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.25 1sxj n PHE 245 Cb 0.00 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 37.71 1sxj n PHE 245 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1sxj s LEU 246 N 0.00 2.57 -0.04 5.98 2.96 -1.06 -1.37 118.68 127.72 1sxj s LEU 246 Ca 0.00 -0.87 0.06 0.00 -0.22 0.00 0.00 54.13 53.11 1sxj s LEU 246 Cb 0.00 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.16 1sxj s LEU 246 CO 0.00 -0.06 -0.23 0.00 -1.32 0.00 0.00 176.35 174.74 1sxj s GLN 247 N 1.24 2.24 -0.15 1.98 -2.07 -0.34 -0.87 119.66 121.69 1sxj s GLN 247 Ca 0.01 -0.84 -0.03 0.00 -1.82 0.00 0.00 55.36 52.68 1sxj s GLN 247 Cb -0.15 -1.97 -0.03 0.00 -1.09 0.00 0.00 33.01 29.77 1sxj s GLN 247 CO -0.10 0.39 -0.05 -0.06 -1.32 0.00 0.00 175.29 174.16 1sxj s PHE 248 N -0.24 3.01 -0.38 9.60 0.40 0.97 -0.62 117.98 130.71 1sxj s PHE 248 Ca 0.00 -0.33 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1sxj s PHE 248 Cb -0.12 -1.95 0.09 0.00 0.51 0.00 0.00 43.02 41.55 1sxj s PHE 248 CO 0.02 -0.05 0.17 -0.06 0.70 0.00 0.00 175.22 176.00 1sxj s PHE 249 N 0.36 3.44 -0.22 0.36 0.40 0.23 -0.74 117.98 121.81 1sxj s PHE 249 Ca -0.05 -2.02 -0.08 0.00 -0.60 0.00 0.00 56.93 54.18 1sxj s PHE 249 Cb -0.14 -2.87 -0.04 0.00 0.51 0.00 0.00 43.02 40.48 1sxj s PHE 249 CO 0.03 -0.89 0.09 -1.17 0.70 0.00 0.00 175.22 173.98 1sxj s LEU 250 N 1.25 3.75 0.26 -0.37 2.96 -0.34 -1.31 118.68 124.88 1sxj s LEU 250 Ca 0.03 -0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.64 1sxj s LEU 250 Cb -0.22 -1.98 -0.09 0.00 0.50 0.00 0.00 46.19 44.40 1sxj s LEU 250 CO -0.02 0.08 0.95 0.00 -1.32 0.00 0.00 176.35 176.04 1sxj s ALA 251 N 0.95 3.32 0.91 5.97 0.00 0.18 -0.76 121.76 132.32 1sxj s ALA 251 Ca 0.05 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1sxj s ALA 251 Cb -0.14 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1sxj s ALA 251 CO 0.03 0.18 0.00 -2.30 0.00 0.00 0.00 175.76 173.67 1sxj n PRO 252 N 1.28 3.02 -3.81 0.00 -0.02 -1.26 -4.80 135.00 129.42 1sxj n PRO 252 Ca -0.01 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.33 1sxj n PRO 252 Cb 0.48 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.80 1sxj n PRO 252 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1sxj s LYS 253 N 0.00 -0.03 -0.15 -0.52 1.02 -1.12 -4.94 119.74 114.00 1sxj s LYS 253 Ca 0.00 0.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.83 1sxj s LYS 253 Cb 0.00 -0.16 -0.06 0.00 -0.52 0.00 0.00 37.83 37.09 1sxj s LYS 253 CO 0.00 -0.11 2.14 -0.06 -0.92 0.00 0.00 175.35 176.40 1sxj s PHE 254 N 0.70 1.21 -0.26 3.18 0.40 -1.26 -4.71 117.98 117.24 1sxj s PHE 254 Ca -0.06 0.27 0.03 0.00 -0.60 0.00 0.00 56.93 56.56 1sxj s PHE 254 Cb -0.08 -4.02 0.06 0.00 0.51 0.00 0.00 43.02 39.48 1sxj s PHE 254 CO -0.02 -4.48 -0.11 -0.80 0.70 0.00 0.00 175.22 170.51 1sxj s ASN 255 N 7.20 4.37 0.00 1.36 0.01 -1.26 -5.15 114.94 121.46 1sxj s ASN 255 Ca 0.97 -1.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.79 1sxj s ASN 255 Cb -0.35 -1.55 0.00 0.00 0.41 0.00 0.00 41.25 39.75 1sxj s ASN 255 CO 0.37 -0.18 0.00 -0.90 -1.51 0.00 0.00 177.10 174.88