#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oxy s LEU 2 N 0.00 4.35 0.45 1.09 2.96 -1.26 -4.84 118.68 121.43 1oxy s LEU 2 Ca 0.00 2.94 0.21 0.00 -0.22 0.00 0.00 54.13 57.07 1oxy s LEU 2 Cb 0.00 -3.65 1.20 0.00 0.50 0.00 0.00 46.19 44.23 1oxy s LEU 2 CO 0.00 -0.82 1.87 -0.74 -1.32 0.00 0.00 176.35 175.34 1oxy h HIS 3 N 3.66 0.39 -0.40 5.38 6.17 -1.99 -0.09 115.15 128.27 1oxy h HIS 3 Ca -0.49 0.01 0.00 0.00 0.71 0.00 0.00 60.37 60.60 1oxy h HIS 3 Cb 1.23 -0.12 -0.02 0.00 2.52 0.00 0.00 27.41 31.02 1oxy h HIS 3 CO 0.55 0.10 0.25 -0.44 0.71 0.00 0.00 177.93 179.11 1oxy h ASP 4 N 0.29 0.47 -0.46 3.26 5.19 -1.98 -1.62 116.42 121.56 1oxy h ASP 4 Ca 0.45 -0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.73 1oxy h ASP 4 Cb 1.31 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.68 1oxy h ASP 4 CO -0.13 0.36 -0.07 0.11 -3.12 0.00 0.00 179.24 176.39 1oxy h LYS 5 N 0.54 0.92 -0.72 3.56 1.57 -1.39 -2.73 116.57 118.32 1oxy h LYS 5 Ca 0.15 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1oxy h LYS 5 Cb -0.03 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1oxy h LYS 5 CO -0.03 0.96 0.33 0.37 -0.57 0.00 0.00 179.45 180.51 1oxy h GLN 6 N 0.83 1.04 -0.37 3.15 5.75 -1.03 -1.83 115.11 122.65 1oxy h GLN 6 Ca 0.14 -0.16 -0.08 0.00 -0.15 0.00 0.00 58.65 58.40 1oxy h GLN 6 Cb 0.60 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 1oxy h GLN 6 CO 0.04 0.83 -0.11 0.82 -2.65 0.00 0.00 178.83 177.76 1oxy h ILE 7 N 1.01 1.24 -0.20 2.39 2.04 -1.23 0.72 117.51 123.49 1oxy h ILE 7 Ca 0.24 -1.08 -0.16 0.00 1.00 0.00 0.00 64.86 64.87 1oxy h ILE 7 Cb 0.14 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1oxy h ILE 7 CO -0.03 0.36 -0.52 0.03 0.00 0.00 0.00 178.15 177.99 1oxy h ARG 8 N 0.58 0.58 -0.23 2.37 3.08 -1.16 -1.79 114.38 117.82 1oxy h ARG 8 Ca 0.10 -0.35 -0.13 0.00 0.07 0.00 0.00 59.98 59.68 1oxy h ARG 8 Cb 0.53 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1oxy h ARG 8 CO 0.03 0.96 -0.35 0.82 -1.07 0.00 0.00 179.97 180.36 1oxy h ILE 9 N 0.45 1.32 -0.01 2.04 1.08 -1.16 -2.86 117.51 118.38 1oxy h ILE 9 Ca 0.01 -1.55 0.00 0.00 -0.39 0.00 0.00 64.86 62.93 1oxy h ILE 9 Cb 1.06 1.76 -0.00 0.00 -3.07 0.00 0.00 36.82 36.57 1oxy h ILE 9 CO 0.10 0.49 0.01 0.00 -0.69 0.00 0.00 178.15 178.05 1oxy h HIS 11 N 0.00 0.00 0.00 0.00 3.86 -1.10 -3.31 115.15 114.60 1oxy h HIS 11 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1oxy h HIS 11 Cb 0.02 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 1oxy h HIS 11 CO 0.00 0.78 -0.06 -0.07 0.86 0.00 0.00 177.93 179.44 1oxy h LEU 12 N 0.00 0.00 -3.59 2.43 3.38 -1.12 -2.90 115.31 113.52 1oxy h LEU 12 Ca -0.01 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 1oxy h LEU 12 Cb 1.58 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 42.03 1oxy h LEU 12 CO 0.10 0.06 -0.50 0.49 0.09 0.00 0.00 178.44 178.68 1oxy n PHE 13 N -4.19 2.08 -3.55 1.13 3.01 -1.24 -4.94 117.46 109.76 1oxy n PHE 13 Ca -0.03 -2.09 -0.37 0.00 1.01 0.00 0.00 57.45 55.97 1oxy n PHE 13 Cb 0.14 -0.46 -0.09 0.00 -0.01 0.00 0.00 39.48 39.06 1oxy n PHE 13 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1oxy s GLU 14 N -3.51 4.08 -0.83 -1.08 2.56 -1.10 -4.59 118.70 114.24 1oxy s GLU 14 Ca 0.49 -0.11 -0.20 0.00 0.00 0.00 0.00 54.97 55.15 1oxy s GLU 14 Cb 0.41 -3.56 0.03 0.00 2.00 0.00 0.00 34.13 33.01 1oxy s GLU 14 CO 0.01 -0.02 0.48 1.04 -0.56 0.00 0.00 175.26 176.21 1oxy n GLN 15 N 4.52 -0.59 -3.07 4.30 3.00 0.12 -4.92 117.38 120.74 1oxy n GLN 15 Ca -0.12 0.06 -0.40 0.00 -0.01 0.00 0.00 57.00 56.52 1oxy n GLN 15 Cb 0.52 -1.55 -0.05 0.00 0.00 0.00 0.00 30.24 29.15 1oxy n GLN 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1oxy s LEU 16 N -6.20 4.23 0.00 1.08 1.43 -1.26 -5.06 118.68 112.90 1oxy s LEU 16 Ca 0.28 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1oxy s LEU 16 Cb -0.15 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.05 1oxy s LEU 16 CO 0.71 -0.20 0.00 -1.20 0.23 0.00 0.00 176.35 175.88 1oxy n SER 17 N 4.42 0.00 0.00 2.29 7.64 -1.26 -4.95 113.62 121.76 1oxy n SER 17 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1oxy n SER 17 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1oxy n SER 17 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1oxy n ARG 33 N 0.00 0.00 -1.31 1.43 0.63 -1.26 -4.99 116.66 111.15 1oxy n ARG 33 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 1oxy n ARG 33 Cb 0.00 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.03 1oxy n ARG 33 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1oxy n LEU 34 N 0.00 5.03 0.44 6.15 4.77 -1.26 -4.78 117.00 127.35 1oxy n LEU 34 Ca 0.00 -4.21 -0.19 0.00 -0.03 0.00 0.00 56.01 51.58 1oxy n LEU 34 Cb 0.00 -0.60 -0.09 0.00 -2.33 0.00 0.00 43.42 40.40 1oxy n LEU 34 CO 0.00 1.60 0.58 0.11 -1.33 0.00 0.00 177.39 178.34 1oxy h LYS 35 N 1.58 -1.06 -1.29 3.23 1.57 -2.03 -3.26 116.57 115.31 1oxy h LYS 35 Ca 0.34 0.07 -0.29 0.00 -1.87 0.00 0.00 60.65 58.90 1oxy h LYS 35 Cb 1.46 0.24 -0.14 0.00 0.08 0.00 0.00 32.23 33.87 1oxy h LYS 35 CO 0.73 -0.70 0.38 0.27 -0.57 0.00 0.00 179.45 179.56 1oxy n ASN 36 N -5.55 5.12 -3.95 0.86 6.94 -1.26 -4.77 115.26 112.64 1oxy n ASN 36 Ca -0.15 -2.94 -0.12 0.00 -0.02 0.00 0.00 54.58 51.35 1oxy n ASN 36 Cb 0.44 -0.88 -0.13 0.00 -2.36 0.00 0.00 39.78 36.85 1oxy n ASN 36 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1oxy s VAL 37 N -2.00 0.22 0.00 3.53 1.01 -1.23 -4.88 120.40 117.05 1oxy s VAL 37 Ca 0.30 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1oxy s VAL 37 Cb 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.36 1oxy s VAL 37 CO 0.02 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.56 1oxy n GLY 38 N 2.38 0.75 0.13 4.51 0.00 -1.26 -4.99 105.19 106.71 1oxy n GLY 38 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 1oxy n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1oxy n LYS 39 N 0.00 0.63 -2.78 1.61 5.02 -1.26 -4.91 118.16 116.46 1oxy n LYS 39 Ca 0.00 0.20 -0.41 0.00 -2.02 0.00 0.00 58.31 56.08 1oxy n LYS 39 Cb 0.00 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.45 1oxy n LYS 39 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1oxy s LEU 40 N -6.93 4.53 0.33 -0.35 2.96 -1.26 -5.00 118.68 112.96 1oxy s LEU 40 Ca -0.36 1.78 -0.29 0.00 -0.22 0.00 0.00 54.13 55.04 1oxy s LEU 40 Cb 0.11 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 43.17 1oxy s LEU 40 CO 0.56 0.01 1.28 -1.10 -1.32 0.00 0.00 176.35 175.77 1oxy s GLN 41 N -0.34 4.38 0.84 1.98 1.11 -1.26 -3.93 119.66 122.43 1oxy s GLN 41 Ca 0.44 2.15 -0.14 0.00 0.01 0.00 0.00 55.36 57.82 1oxy s GLN 41 Cb -0.24 -3.07 0.03 0.00 -1.01 0.00 0.00 33.01 28.72 1oxy s GLN 41 CO 0.29 -0.14 0.68 -2.30 0.01 0.00 0.00 175.29 173.83 1oxy n PRO 42 N 0.82 0.02 0.00 2.91 -0.02 -1.26 -3.18 135.00 134.29 1oxy n PRO 42 Ca 0.00 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1oxy n PRO 42 Cb 0.42 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1oxy n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oxy n GLY 43 N 1.26 2.03 3.78 -1.23 0.00 -1.26 -4.99 105.19 104.77 1oxy n GLY 43 Ca 0.10 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1oxy n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oxy s ALA 44 N -0.43 2.46 -0.21 4.61 0.00 -1.19 -4.58 121.76 122.41 1oxy s ALA 44 Ca 0.00 0.44 -0.24 0.00 0.00 0.00 0.00 51.96 52.16 1oxy s ALA 44 Cb 0.00 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1oxy s ALA 44 CO 0.00 -1.35 0.78 0.42 0.00 0.00 0.00 175.76 175.62 1oxy s ILE 45 N -2.52 4.90 0.22 0.00 1.01 -1.26 -4.83 121.20 118.71 1oxy s ILE 45 Ca 0.65 1.49 -0.30 0.00 0.00 0.00 0.00 60.65 62.49 1oxy s ILE 45 Cb -0.19 -4.08 -0.08 0.00 0.01 0.00 0.00 42.46 38.12 1oxy s ILE 45 CO 0.45 0.00 1.04 0.12 0.00 0.00 0.00 174.94 176.56 1oxy s PHE 46 N 2.39 3.72 -0.19 3.97 5.36 -1.26 -4.93 117.98 127.05 1oxy s PHE 46 Ca 0.34 1.74 -0.05 0.00 -0.96 0.00 0.00 56.93 58.00 1oxy s PHE 46 Cb -0.16 -3.18 -0.03 0.00 -0.34 0.00 0.00 43.02 39.32 1oxy s PHE 46 CO 0.10 -0.21 0.01 0.45 -1.46 0.00 0.00 175.22 174.10 1oxy s SER 47 N -0.64 5.05 0.00 6.13 0.15 -1.26 -4.61 113.70 118.52 1oxy s SER 47 Ca 0.45 -0.10 0.29 0.00 0.70 0.00 0.00 55.95 57.28 1oxy s SER 47 Cb -0.29 -1.86 1.41 0.00 -1.71 0.00 0.00 66.02 63.57 1oxy s SER 47 CO 0.36 0.12 1.94 0.00 1.20 0.00 0.00 173.24 176.86 1oxy n PHE 49 N -0.39 0.00 -2.13 0.00 3.72 -1.26 -4.95 117.46 112.45 1oxy n PHE 49 Ca 0.21 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.19 1oxy n PHE 49 Cb 0.23 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 1oxy n PHE 49 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1oxy s HIS 50 N -1.98 3.20 0.29 1.38 2.46 -1.26 -4.82 115.29 114.55 1oxy s HIS 50 Ca 0.00 0.98 0.01 0.00 0.47 0.00 0.00 55.06 56.52 1oxy s HIS 50 Cb 0.00 -3.71 0.53 0.00 -0.13 0.00 0.00 32.58 29.27 1oxy s HIS 50 CO 0.00 -2.42 1.86 -1.35 -2.47 0.00 0.00 174.74 170.36 1oxy h PRO 51 N 6.26 1.00 -0.24 2.88 0.11 -1.96 -2.25 132.00 137.79 1oxy h PRO 51 Ca -0.43 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 1oxy h PRO 51 Cb 1.21 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1oxy h PRO 51 CO 0.84 0.66 -0.48 -0.44 -0.21 0.00 0.00 178.00 178.37 1oxy h ASP 52 N 1.03 0.71 -0.39 -2.05 3.32 -1.97 -2.46 116.42 114.61 1oxy h ASP 52 Ca 0.46 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 1oxy h ASP 52 Cb 0.39 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1oxy h ASP 52 CO -0.22 1.08 0.06 0.45 -1.72 0.00 0.00 179.24 178.89 1oxy h HIS 53 N 0.52 0.69 0.00 4.55 3.86 -1.72 -3.11 115.15 119.94 1oxy h HIS 53 Ca 0.03 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1oxy h HIS 53 Cb 1.03 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 29.31 1oxy h HIS 53 CO 0.05 0.68 -0.00 -0.07 0.86 0.00 0.00 177.93 179.45 1oxy h LEU 54 N 0.49 0.00 -0.28 2.43 3.38 -1.39 -2.60 115.31 117.34 1oxy h LEU 54 Ca 0.12 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 1oxy h LEU 54 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1oxy h LEU 54 CO 0.01 0.00 -0.80 -0.08 0.09 0.00 0.00 178.44 177.66 1oxy h GLU 55 N 0.00 0.50 0.01 1.13 4.81 -1.37 -0.71 114.58 118.94 1oxy h GLU 55 Ca -0.00 -0.44 -0.20 0.00 -0.13 0.00 0.00 59.36 58.59 1oxy h GLU 55 Cb 0.57 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1oxy h GLU 55 CO 0.00 1.07 -0.93 1.49 -0.73 0.00 0.00 179.01 179.92 1oxy h GLU 56 N 0.32 0.02 -0.49 1.92 4.81 -1.50 -2.03 114.58 117.63 1oxy h GLU 56 Ca -0.05 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 1oxy h GLU 56 Cb 1.41 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 1oxy h GLU 56 CO 0.14 0.93 -0.20 0.00 -0.73 0.00 0.00 179.01 179.16 1oxy h ALA 57 N 1.05 0.68 0.00 2.92 0.00 -1.35 -2.39 119.26 120.18 1oxy h ALA 57 Ca -0.02 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1oxy h ALA 57 Cb 1.63 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1oxy h ALA 57 CO 0.12 0.66 -0.00 -0.09 0.00 0.00 0.00 179.25 179.95 1oxy h ARG 58 N 0.86 -0.01 -0.52 0.00 2.43 -1.02 -1.75 114.38 114.37 1oxy h ARG 58 Ca 0.11 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 1oxy h ARG 58 Cb 0.78 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.28 1oxy h ARG 58 CO 0.06 0.03 0.22 0.45 -1.51 0.00 0.00 179.97 179.22 1oxy h HIS 59 N -0.03 0.39 -0.34 2.20 3.86 -1.29 0.49 115.15 120.43 1oxy h HIS 59 Ca -0.00 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.16 1oxy h HIS 59 Cb 0.03 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1oxy h HIS 59 CO -0.07 0.15 -0.09 1.25 0.86 0.00 0.00 177.93 180.03 1oxy h LEU 60 N 0.42 0.67 -0.12 2.43 5.85 -1.16 -1.79 115.31 121.60 1oxy h LEU 60 Ca 0.25 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1oxy h LEU 60 Cb 0.23 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1oxy h LEU 60 CO -0.22 0.88 0.00 0.00 -0.34 0.00 0.00 178.44 178.76 1oxy n TYR 61 N -4.41 0.19 0.13 1.25 0.18 -0.68 -1.47 117.16 112.35 1oxy n TYR 61 Ca -0.02 0.07 -0.24 0.00 1.88 0.00 0.00 57.90 59.59 1oxy n TYR 61 Cb 0.34 -0.61 -0.16 0.00 -0.38 0.00 0.00 39.34 38.54 1oxy n TYR 61 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 1oxy h GLU 62 N 0.00 0.50 -0.52 -3.48 5.08 -0.45 -2.24 114.58 113.47 1oxy h GLU 62 Ca 0.00 -0.86 -0.03 0.00 -1.00 0.00 0.00 59.36 57.46 1oxy h GLU 62 Cb 0.34 0.32 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1oxy h GLU 62 CO 0.00 1.41 0.19 0.28 -1.00 0.00 0.00 179.01 179.89 1oxy h VAL 63 N 0.14 1.22 -0.17 3.13 2.07 -0.77 -1.19 116.25 120.69 1oxy h VAL 63 Ca -0.27 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.46 1oxy h VAL 63 Cb 2.15 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1oxy h VAL 63 CO 0.26 0.27 -0.26 -0.26 0.02 0.00 0.00 177.57 177.59 1oxy h PHE 64 N 0.71 0.35 0.00 1.57 0.04 -1.30 -2.39 116.94 115.92 1oxy h PHE 64 Ca 0.17 -0.07 -0.18 0.00 2.80 0.00 0.00 57.97 60.69 1oxy h PHE 64 Cb 0.23 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 1oxy h PHE 64 CO 0.01 0.56 -0.98 2.35 -0.60 0.00 0.00 178.31 179.65 1oxy h TRP 65 N 0.28 0.00 0.00 -0.55 7.01 -1.17 -3.25 115.95 118.28 1oxy h TRP 65 Ca 0.04 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 1oxy h TRP 65 Cb 0.62 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.68 1oxy h TRP 65 CO 0.01 0.78 -0.02 0.93 -2.79 0.00 0.00 178.44 177.36 1oxy h GLU 66 N 0.00 0.00 -6.39 2.65 5.08 -1.07 -3.45 114.58 111.40 1oxy h GLU 66 Ca -0.06 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.68 1oxy h GLU 66 Cb 1.65 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.94 1oxy h GLU 66 CO 0.09 0.02 0.85 0.00 -1.00 0.00 0.00 179.01 178.97 1oxy n ALA 67 N -2.10 0.82 -0.31 3.43 0.00 -0.91 -4.89 120.51 116.54 1oxy n ALA 67 Ca 0.02 0.40 0.16 0.00 0.00 0.00 0.00 53.44 54.03 1oxy n ALA 67 Cb 0.43 -2.35 0.35 0.00 0.00 0.00 0.00 19.45 17.87 1oxy n ALA 67 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1oxy h GLY 68 N 6.77 1.59 -0.99 0.00 0.00 -1.92 -3.45 103.07 105.07 1oxy h GLY 68 Ca -0.46 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 46.66 1oxy h GLY 68 CO 0.90 -0.39 0.13 2.09 0.00 0.00 0.00 176.54 179.26 1oxy n ASP 69 N -5.15 -1.76 0.29 0.19 5.68 -1.26 -5.01 116.55 109.52 1oxy n ASP 69 Ca 0.25 -2.47 0.17 0.00 -0.50 0.00 0.00 54.79 52.23 1oxy n ASP 69 Cb 0.77 3.01 0.86 0.00 -1.14 0.00 0.00 41.12 44.62 1oxy n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1oxy h PHE 70 N 1.87 0.00 -0.03 2.11 3.57 -1.94 0.37 116.94 122.90 1oxy h PHE 70 Ca -0.28 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 60.98 1oxy h PHE 70 Cb 1.07 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.82 1oxy h PHE 70 CO 0.00 0.05 -0.96 -0.91 -2.23 0.00 0.00 178.31 174.26 1oxy h ASN 71 N 0.00 0.79 0.24 0.41 4.21 -1.98 -2.72 115.58 116.53 1oxy h ASN 71 Ca -0.00 -0.61 -0.30 0.00 1.21 0.00 0.00 56.30 56.60 1oxy h ASN 71 Cb 0.29 -0.24 0.03 0.00 -1.12 0.00 0.00 38.32 37.27 1oxy h ASN 71 CO 0.01 1.41 -1.28 -0.78 -1.29 0.00 0.00 177.43 175.49 1oxy h ASP 72 N 0.37 0.79 0.26 5.81 3.58 -1.75 -2.39 116.42 123.08 1oxy h ASP 72 Ca -0.10 -0.76 -0.01 0.00 0.42 0.00 0.00 57.03 56.58 1oxy h ASP 72 Cb 1.60 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.40 1oxy h ASP 72 CO 0.18 1.57 -0.12 0.15 -2.88 0.00 0.00 179.24 178.14 1oxy h PHE 73 N 0.22 -0.32 -0.57 0.28 3.57 -1.02 -0.77 116.94 118.32 1oxy h PHE 73 Ca -0.19 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.32 1oxy h PHE 73 Cb 1.96 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 40.78 1oxy h PHE 73 CO 0.11 -0.17 0.38 0.82 -2.23 0.00 0.00 178.31 177.22 1oxy h ILE 74 N -0.39 1.11 0.60 1.41 1.08 -1.57 -1.47 117.51 118.27 1oxy h ILE 74 Ca -0.04 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.16 1oxy h ILE 74 Cb 0.29 0.32 0.01 0.00 -3.07 0.00 0.00 36.82 34.37 1oxy h ILE 74 CO 0.06 0.13 -0.29 -0.33 -0.69 0.00 0.00 178.15 177.03 1oxy h GLU 75 N 0.73 -0.77 0.00 2.37 3.07 -0.64 0.17 114.58 119.51 1oxy h GLU 75 Ca 0.22 0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.10 1oxy h GLU 75 Cb -0.01 0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1oxy h GLU 75 CO -0.05 -0.51 -0.14 -0.84 -1.40 0.00 0.00 179.01 176.06 1oxy h ILE 76 N -0.85 0.80 -0.11 3.13 -0.00 -1.24 -1.61 117.51 117.62 1oxy h ILE 76 Ca -0.08 -0.54 -0.03 0.00 -0.00 0.00 0.00 64.86 64.21 1oxy h ILE 76 Cb 0.61 1.32 -0.00 0.00 -0.00 0.00 0.00 36.82 38.75 1oxy h ILE 76 CO 0.13 0.14 -0.05 0.00 -0.00 0.00 0.00 178.15 178.37 1oxy h ALA 77 N 1.86 0.16 -0.53 0.16 0.00 -1.17 0.29 119.26 120.03 1oxy h ALA 77 Ca -0.00 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.73 1oxy h ALA 77 Cb 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1oxy h ALA 77 CO 0.02 -0.07 0.35 0.87 0.00 0.00 0.00 179.25 180.42 1oxy h LYS 78 N -0.12 0.42 0.01 0.00 1.79 -0.56 -2.18 116.57 115.93 1oxy h LYS 78 Ca 0.03 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 1oxy h LYS 78 Cb 0.50 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1oxy h LYS 78 CO 0.02 0.28 -0.51 1.49 -1.08 0.00 0.00 179.45 179.64 1oxy h GLU 79 N 0.43 0.32 0.00 3.15 4.22 -1.04 -3.35 114.58 118.31 1oxy h GLU 79 Ca 0.23 -0.37 -0.08 0.00 0.08 0.00 0.00 59.36 59.22 1oxy h GLU 79 Cb 0.37 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1oxy h GLU 79 CO -0.06 1.06 -0.40 0.00 -2.18 0.00 0.00 179.01 177.43 1oxy h ALA 80 N 0.27 1.02 0.00 2.92 0.00 0.11 -3.12 119.26 120.47 1oxy h ALA 80 Ca -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1oxy h ALA 80 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1oxy h ALA 80 CO 0.10 0.50 0.00 2.89 0.00 0.00 0.00 179.25 182.74 1oxy n ARG 81 N -3.61 0.03 0.01 0.00 1.85 -0.87 -1.59 116.66 112.49 1oxy n ARG 81 Ca -0.01 0.20 0.13 0.00 -1.00 0.00 0.00 57.85 57.18 1oxy n ARG 81 Cb 0.51 -1.54 0.50 0.00 -1.05 0.00 0.00 32.46 30.88 1oxy n ARG 81 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1oxy n THR 82 N -1.59 0.08 0.00 8.89 -2.24 -1.18 -4.30 114.28 113.94 1oxy n THR 82 Ca 0.04 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1oxy n THR 82 Cb 0.23 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1oxy n THR 82 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1oxy n PHE 83 N -1.61 0.00 -2.99 4.78 -1.74 -1.08 -5.10 117.46 109.72 1oxy n PHE 83 Ca 0.06 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.68 1oxy n PHE 83 Cb 0.35 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.34 1oxy n PHE 83 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1oxy s VAL 84 N -0.39 4.95 0.32 1.97 1.01 -0.62 -4.66 120.40 122.98 1oxy s VAL 84 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 1oxy s VAL 84 Cb 0.00 -3.81 -0.12 0.00 0.00 0.00 0.00 36.38 32.46 1oxy s VAL 84 CO 0.00 -0.60 1.50 -3.20 0.00 0.00 0.00 175.10 172.80 1oxy n ASN 85 N -1.65 3.56 0.24 3.32 5.15 -1.25 -4.72 115.26 119.91 1oxy n ASN 85 Ca -0.01 1.18 0.16 0.00 -0.60 0.00 0.00 54.58 55.31 1oxy n ASN 85 Cb 0.55 -1.57 0.65 0.00 -0.53 0.00 0.00 39.78 38.89 1oxy n ASN 85 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 1oxy h GLU 86 N 3.90 0.00 0.12 1.20 9.09 -1.90 -0.72 114.58 126.28 1oxy h GLU 86 Ca -0.48 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 58.76 1oxy h GLU 86 Cb 1.24 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.36 1oxy h GLU 86 CO 0.72 0.00 -0.78 0.78 0.05 0.00 0.00 179.01 179.78 1oxy h GLY 87 N 2.02 0.29 0.89 1.06 0.00 -1.90 -2.37 103.07 103.05 1oxy h GLY 87 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.61 1oxy h GLY 87 CO 0.00 0.64 -0.02 -2.00 0.00 0.00 0.00 176.54 175.17 1oxy h LEU 88 N -0.46 -0.06 0.02 3.11 6.46 -1.87 -1.51 115.31 121.01 1oxy h LEU 88 Ca -0.14 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1oxy h LEU 88 Cb 1.57 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.52 1oxy h LEU 88 CO 0.12 -0.02 -0.06 0.15 -0.62 0.00 0.00 178.44 178.00 1oxy h PHE 89 N -0.01 -0.15 -0.81 1.25 3.57 -1.24 -0.93 116.94 118.62 1oxy h PHE 89 Ca 0.03 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1oxy h PHE 89 Cb 0.05 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 1oxy h PHE 89 CO -0.12 -0.10 0.49 0.00 -2.23 0.00 0.00 178.31 176.35 1oxy h ALA 90 N 0.85 1.11 0.56 2.41 0.00 -1.17 0.12 119.26 123.13 1oxy h ALA 90 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1oxy h ALA 90 Cb 0.14 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1oxy h ALA 90 CO -0.05 0.21 -0.27 0.35 0.00 0.00 0.00 179.25 179.49 1oxy h PHE 91 N 0.88 -0.69 -0.25 0.00 3.04 -1.00 -1.92 116.94 117.00 1oxy h PHE 91 Ca 0.36 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.25 1oxy h PHE 91 Cb 0.19 0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 1oxy h PHE 91 CO -0.05 -0.42 -0.02 0.00 -2.02 0.00 0.00 178.31 175.80 1oxy h ALA 92 N -0.32 1.50 0.03 2.41 0.00 -0.91 -2.32 119.26 119.64 1oxy h ALA 92 Ca -0.08 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.44 1oxy h ALA 92 Cb 0.58 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1oxy h ALA 92 CO 0.13 0.36 -0.97 0.00 0.00 0.00 0.00 179.25 178.76 1oxy h ALA 93 N 1.61 0.38 -0.10 0.00 0.00 -0.70 -2.66 119.26 117.80 1oxy h ALA 93 Ca 0.08 -0.76 -0.19 0.00 0.00 0.00 0.00 54.91 54.04 1oxy h ALA 93 Cb 0.29 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1oxy h ALA 93 CO 0.01 0.91 -0.72 1.49 0.00 0.00 0.00 179.25 180.94 1oxy h GLU 94 N 0.13 0.49 -0.72 0.00 4.81 -1.12 -1.26 114.58 116.91 1oxy h GLU 94 Ca -0.07 -0.39 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 1oxy h GLU 94 Cb 1.63 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 31.06 1oxy h GLU 94 CO 0.16 1.02 0.25 0.28 -0.73 0.00 0.00 179.01 179.99 1oxy h VAL 95 N 0.33 1.25 0.06 0.32 2.07 -1.45 -2.20 116.25 116.63 1oxy h VAL 95 Ca -0.03 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1oxy h VAL 95 Cb 1.31 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1oxy h VAL 95 CO 0.13 0.33 -0.03 0.00 0.02 0.00 0.00 177.57 178.02 1oxy h ALA 96 N 1.22 -0.08 -0.91 1.67 0.00 -1.25 -2.20 119.26 117.70 1oxy h ALA 96 Ca 0.24 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1oxy h ALA 96 Cb 0.25 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1oxy h ALA 96 CO -0.01 -0.40 0.59 0.28 0.00 0.00 0.00 179.25 179.70 1oxy h VAL 97 N -0.37 1.11 0.00 0.00 2.07 -1.17 -1.05 116.25 116.85 1oxy h VAL 97 Ca -0.01 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 1oxy h VAL 97 Cb 0.33 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1oxy h VAL 97 CO 0.01 0.20 -0.38 -0.07 0.02 0.00 0.00 177.57 177.35 1oxy h LEU 98 N 1.10 0.00 -0.12 2.57 4.07 -1.37 -3.34 115.31 118.23 1oxy h LEU 98 Ca 0.38 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.34 1oxy h LEU 98 Cb 0.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1oxy h LEU 98 CO -0.14 0.38 -0.34 1.41 -1.08 0.00 0.00 178.44 178.67 1oxy n HIS 99 N -4.08 0.00 -2.73 1.13 8.25 -0.83 -4.99 115.22 111.97 1oxy n HIS 99 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 1oxy n HIS 99 Cb 0.41 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.49 1oxy n HIS 99 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1oxy s ARG 100 N -1.65 4.63 0.25 -0.41 0.52 -0.44 -4.94 118.95 116.91 1oxy s ARG 100 Ca 0.04 1.43 -0.03 0.00 -0.52 0.00 0.00 55.73 56.64 1oxy s ARG 100 Cb 0.06 -3.41 0.43 0.00 0.52 0.00 0.00 34.95 32.55 1oxy s ARG 100 CO 0.30 0.10 1.81 -0.44 0.02 0.00 0.00 175.30 177.09 1oxy h ASP 101 N 6.11 0.68 0.58 0.23 5.19 -1.91 -2.24 116.42 125.06 1oxy h ASP 101 Ca -0.42 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1oxy h ASP 101 Cb 1.21 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.65 1oxy h ASP 101 CO 0.73 0.38 0.00 -0.90 -3.12 0.00 0.00 179.24 176.33 1oxy n ASP 102 N -4.74 0.14 -0.68 6.45 5.68 -1.26 -2.29 116.55 119.84 1oxy n ASP 102 Ca 0.14 0.53 0.11 0.00 -0.50 0.00 0.00 54.79 55.08 1oxy n ASP 102 Cb 0.30 -0.56 0.05 0.00 -1.14 0.00 0.00 41.12 39.77 1oxy n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1oxy s LYS 104 N -2.28 4.16 0.00 0.00 2.20 -0.97 -1.27 119.74 121.58 1oxy s LYS 104 Ca 0.23 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 1oxy s LYS 104 Cb 0.19 -3.94 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1oxy s LYS 104 CO 0.46 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 1oxy n GLY 105 N 4.30 1.86 3.73 5.54 0.00 -1.26 -3.55 105.19 115.82 1oxy n GLY 105 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1oxy n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oxy s LEU 106 N 0.00 4.24 0.77 0.99 1.43 -0.40 -4.73 118.68 120.99 1oxy s LEU 106 Ca 0.00 0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 53.44 1oxy s LEU 106 Cb 0.00 -2.31 0.06 0.00 0.03 0.00 0.00 46.19 43.96 1oxy s LEU 106 CO 0.00 0.13 1.15 -0.31 0.23 0.00 0.00 176.35 177.55 1oxy s TYR 107 N 0.38 3.08 -0.04 0.29 1.51 -1.26 -4.86 117.35 116.45 1oxy s TYR 107 Ca 0.15 0.86 0.06 0.00 -1.01 0.00 0.00 57.07 57.13 1oxy s TYR 107 Cb -0.13 -3.34 -0.01 0.00 -0.11 0.00 0.00 41.96 38.38 1oxy s TYR 107 CO 0.03 -1.57 -0.21 0.54 -1.11 0.00 0.00 175.55 173.23 1oxy s VAL 108 N -3.49 1.70 0.53 0.71 0.11 -1.26 -4.93 120.40 113.76 1oxy s VAL 108 Ca 0.61 -0.88 -0.19 0.00 -2.93 0.00 0.00 61.98 58.59 1oxy s VAL 108 Cb -0.11 -1.43 -0.07 0.00 -1.53 0.00 0.00 36.38 33.24 1oxy s VAL 108 CO 0.50 0.48 1.06 -2.84 -3.33 0.00 0.00 175.10 170.97 1oxy s PRO 109 N -0.20 3.59 0.13 1.54 0.02 -1.26 -4.91 135.00 133.91 1oxy s PRO 109 Ca 0.00 1.35 -0.35 0.00 0.02 0.00 0.00 61.00 62.03 1oxy s PRO 109 Cb -0.11 -2.06 -0.16 0.00 0.02 0.00 0.00 34.50 32.19 1oxy s PRO 109 CO 0.02 -0.61 1.27 -2.30 -0.33 0.00 0.00 177.00 175.05 1oxy n PRO 110 N -1.34 1.22 0.25 5.54 -0.02 -1.26 -4.84 135.00 134.55 1oxy n PRO 110 Ca 0.09 0.44 0.09 0.00 -2.02 0.00 0.00 63.50 62.10 1oxy n PRO 110 Cb 0.52 -2.02 0.64 0.00 -0.02 0.00 0.00 33.50 32.62 1oxy n PRO 110 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1oxy h VAL 111 N 3.04 0.87 0.00 -1.45 3.04 -1.95 -1.41 116.25 118.39 1oxy h VAL 111 Ca -0.46 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.76 1oxy h VAL 111 Cb 1.33 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.88 1oxy h VAL 111 CO 0.75 0.12 0.00 0.00 -1.01 0.00 0.00 177.57 177.43 1oxy n GLN 112 N -4.07 0.35 -0.07 4.17 0.00 -1.26 -1.91 117.38 114.59 1oxy n GLN 112 Ca -0.02 0.06 -0.05 0.00 0.00 0.00 0.00 57.00 56.99 1oxy n GLN 112 Cb 0.21 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 28.82 1oxy n GLN 112 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1oxy n GLU 113 N -1.29 1.11 -0.03 2.61 1.02 -0.56 -3.42 120.64 120.08 1oxy n GLU 113 Ca 0.12 -0.04 -0.14 0.00 -0.02 0.00 0.00 57.16 57.07 1oxy n GLU 113 Cb 0.19 -1.43 -0.10 0.00 -0.02 0.00 0.00 31.44 30.08 1oxy n GLU 113 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1oxy h ILE 114 N 0.00 1.47 -2.24 -3.67 2.04 -1.24 -2.89 117.51 110.98 1oxy h ILE 114 Ca -0.36 -1.60 -0.59 0.00 1.00 0.00 0.00 64.86 63.32 1oxy h ILE 114 Cb 1.78 2.41 -0.40 0.00 -0.74 0.00 0.00 36.82 39.87 1oxy h ILE 114 CO 0.02 0.44 -0.83 0.49 0.00 0.00 0.00 178.15 178.27 1oxy n PHE 115 N -4.61 1.57 0.31 1.37 3.72 -0.80 -4.26 117.46 114.76 1oxy n PHE 115 Ca -0.08 -3.85 0.19 0.00 -0.05 0.00 0.00 57.45 53.65 1oxy n PHE 115 Cb 0.40 -0.40 1.03 0.00 -0.94 0.00 0.00 39.48 39.58 1oxy n PHE 115 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1oxy h PRO 116 N 4.41 0.00 0.00 -1.08 0.13 -1.76 -1.80 132.00 131.90 1oxy h PRO 116 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1oxy h PRO 116 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1oxy h PRO 116 CO 0.63 0.02 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 1oxy n ASP 117 N -3.33 0.00 -0.66 1.44 5.75 -1.26 -1.47 116.55 117.02 1oxy n ASP 117 Ca -0.02 0.09 0.11 0.00 -0.01 0.00 0.00 54.79 54.95 1oxy n ASP 117 Cb 0.12 -0.29 0.04 0.00 -1.03 0.00 0.00 41.12 39.96 1oxy n ASP 117 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1oxy n LYS 118 N -1.29 1.68 0.00 0.11 5.02 -0.67 -4.20 118.16 118.80 1oxy n LYS 118 Ca 0.07 -1.35 0.00 0.00 -2.02 0.00 0.00 58.31 55.01 1oxy n LYS 118 Cb 0.12 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1oxy n LYS 118 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1oxy n PHE 119 N 0.55 0.00 -4.63 2.13 3.01 -0.83 -4.82 117.46 112.87 1oxy n PHE 119 Ca 0.11 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.23 1oxy n PHE 119 Cb 0.49 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.85 1oxy n PHE 119 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1oxy s ILE 120 N -1.56 3.64 0.26 4.37 -1.09 -0.54 -4.89 121.20 121.38 1oxy s ILE 120 Ca 0.00 -0.49 -0.30 0.00 -2.23 0.00 0.00 60.65 57.63 1oxy s ILE 120 Cb 0.00 -2.50 -0.14 0.00 -1.58 0.00 0.00 42.46 38.24 1oxy s ILE 120 CO 0.00 0.58 1.11 -2.65 -1.23 0.00 0.00 174.94 172.75 1oxy n PRO 121 N 2.49 1.44 -0.35 2.79 -0.02 -1.26 -4.73 135.00 135.35 1oxy n PRO 121 Ca -0.18 0.51 0.25 0.00 -2.02 0.00 0.00 63.50 62.06 1oxy n PRO 121 Cb 0.53 -1.96 0.51 0.00 -0.02 0.00 0.00 33.50 32.56 1oxy n PRO 121 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1oxy h SER 122 N 2.63 0.46 -0.21 2.55 0.87 -1.47 -0.25 113.55 118.13 1oxy h SER 122 Ca -0.41 0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.23 1oxy h SER 122 Cb 1.33 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.36 1oxy h SER 122 CO 0.65 -0.03 -0.05 0.00 -0.53 0.00 0.00 176.83 176.87 1oxy h ALA 123 N 1.70 0.29 -0.81 6.23 0.00 -1.90 -1.69 119.26 123.07 1oxy h ALA 123 Ca 0.69 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 1oxy h ALA 123 Cb 1.74 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 1oxy h ALA 123 CO -0.44 0.07 0.41 0.00 0.00 0.00 0.00 179.25 179.29 1oxy h ALA 124 N 0.75 1.19 -0.31 0.00 0.00 -1.43 0.16 119.26 119.62 1oxy h ALA 124 Ca 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1oxy h ALA 124 Cb 0.49 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1oxy h ALA 124 CO 0.02 0.63 0.03 0.82 0.00 0.00 0.00 179.25 180.74 1oxy h ILE 125 N 1.15 1.25 -0.60 0.00 1.08 -1.34 -3.08 117.51 115.96 1oxy h ILE 125 Ca 0.28 -0.88 -0.05 0.00 -0.39 0.00 0.00 64.86 63.82 1oxy h ILE 125 Cb 0.08 1.22 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 1oxy h ILE 125 CO -0.04 0.29 0.16 -1.13 -0.69 0.00 0.00 178.15 176.74 1oxy h ASN 126 N 0.34 0.90 0.00 1.72 -1.24 -0.94 -2.91 115.58 113.45 1oxy h ASN 126 Ca 0.09 -0.22 0.00 0.00 0.71 0.00 0.00 56.30 56.88 1oxy h ASN 126 Cb 0.39 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1oxy h ASN 126 CO 0.01 0.89 0.00 1.21 -1.29 0.00 0.00 177.43 178.25 1oxy n GLU 127 N -4.37 0.62 -2.73 6.67 2.13 0.52 -3.70 120.64 119.77 1oxy n GLU 127 Ca 0.03 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.77 1oxy n GLU 127 Cb 0.23 -1.04 0.08 0.00 0.27 0.00 0.00 31.44 30.97 1oxy n GLU 127 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1oxy n ALA 128 N -0.54 -1.13 -3.72 4.31 0.00 -1.10 -4.89 120.51 113.44 1oxy n ALA 128 Ca 0.01 -1.39 -0.30 0.00 0.00 0.00 0.00 53.44 51.77 1oxy n ALA 128 Cb 0.01 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.00 1oxy n ALA 128 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1oxy s PHE 129 N 0.42 1.93 -1.70 0.00 5.36 -1.24 -3.78 117.98 118.97 1oxy s PHE 129 Ca 0.26 -2.24 -0.00 0.00 -0.96 0.00 0.00 56.93 53.98 1oxy s PHE 129 Cb 0.27 -1.84 0.00 0.00 -0.34 0.00 0.00 43.02 41.10 1oxy s PHE 129 CO -0.13 -0.81 0.06 1.63 -1.46 0.00 0.00 175.22 174.51 1oxy n LYS 130 N 3.92 -1.94 -1.66 10.12 5.02 -1.26 -4.92 118.16 127.43 1oxy n LYS 130 Ca 0.06 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.32 1oxy n LYS 130 Cb 0.37 -5.61 0.00 0.00 -0.02 0.00 0.00 35.03 29.77 1oxy n LYS 130 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1oxy n LYS 131 N -3.04 -3.85 0.00 1.97 3.00 -1.26 -5.06 118.16 109.92 1oxy n LYS 131 Ca -0.23 2.84 0.00 0.00 -0.00 0.00 0.00 58.31 60.92 1oxy n LYS 131 Cb 0.68 -3.29 0.00 0.00 0.00 0.00 0.00 35.03 32.41 1oxy n LYS 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1oxy n GLY 151 N -0.38 0.92 2.81 3.14 0.00 -1.26 -4.17 105.19 106.26 1oxy n GLY 151 Ca 0.00 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 1oxy n GLY 151 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1oxy n ASN 152 N 0.00 -3.81 -4.70 1.61 4.13 -1.26 -4.97 115.26 106.26 1oxy n ASN 152 Ca 0.00 0.47 -0.36 0.00 1.68 0.00 0.00 54.58 56.37 1oxy n ASN 152 Cb 0.00 -0.73 -0.08 0.00 -1.54 0.00 0.00 39.78 37.43 1oxy n ASN 152 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1oxy s ILE 153 N -1.77 5.35 -0.32 2.41 -4.36 -1.26 -4.99 121.20 116.26 1oxy s ILE 153 Ca 0.46 0.33 0.09 0.00 -0.26 0.00 0.00 60.65 61.27 1oxy s ILE 153 Cb -0.36 -3.54 0.23 0.00 1.25 0.00 0.00 42.46 40.03 1oxy s ILE 153 CO 0.62 0.38 1.17 -0.11 0.24 0.00 0.00 174.94 177.25 1oxy n LEU 154 N 3.84 2.64 -3.74 0.37 7.94 -1.26 -4.95 117.00 121.84 1oxy n LEU 154 Ca -0.14 -2.37 -0.13 0.00 -1.11 0.00 0.00 56.01 52.26 1oxy n LEU 154 Cb 0.52 -0.24 -0.14 0.00 0.53 0.00 0.00 43.42 44.09 1oxy n LEU 154 CO 0.37 0.64 -0.19 -0.62 -1.11 0.00 0.00 177.39 176.48 1oxy s ASP 155 N -1.50 -0.12 0.62 1.96 2.15 -1.26 -5.03 116.67 113.48 1oxy s ASP 155 Ca 0.20 0.37 0.30 0.00 0.43 0.00 0.00 52.55 53.85 1oxy s ASP 155 Cb 0.14 0.26 1.66 0.00 -0.30 0.00 0.00 42.92 44.69 1oxy s ASP 155 CO 0.07 -0.16 2.01 1.55 -0.17 0.00 0.00 175.17 178.47 1oxy h PRO 156 N 7.28 0.00 0.00 4.34 0.13 -2.04 -2.38 132.00 139.34 1oxy h PRO 156 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1oxy h PRO 156 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1oxy h PRO 156 CO 0.40 0.00 0.00 1.49 -0.23 0.00 0.00 178.00 179.66 1oxy h GLU 157 N 0.00 0.00 0.00 0.86 4.57 -2.01 -1.53 114.58 116.47 1oxy h GLU 157 Ca 0.09 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1oxy h GLU 157 Cb 0.69 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1oxy h GLU 157 CO -0.00 0.00 -0.17 -0.92 -1.18 0.00 0.00 179.01 176.74 1oxy h TYR 158 N 0.00 0.00 -0.55 0.92 3.20 -1.86 -2.20 116.97 116.48 1oxy h TYR 158 Ca 0.00 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1oxy h TYR 158 Cb 0.28 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1oxy h TYR 158 CO 0.00 0.17 0.37 0.00 -1.64 0.00 0.00 178.16 177.05 1oxy h ARG 159 N 0.00 0.39 -0.60 1.82 3.08 -1.48 -2.11 114.38 115.48 1oxy h ARG 159 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1oxy h ARG 159 Cb 0.38 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1oxy h ARG 159 CO 0.02 0.26 0.00 1.28 -1.07 0.00 0.00 179.97 180.46 1oxy n LEU 160 N -4.47 3.47 0.23 3.04 4.77 -0.83 -4.41 117.00 118.80 1oxy n LEU 160 Ca 0.08 -1.75 0.09 0.00 -0.03 0.00 0.00 56.01 54.40 1oxy n LEU 160 Cb 0.32 -0.46 0.57 0.00 -2.33 0.00 0.00 43.42 41.52 1oxy n LEU 160 CO 0.34 0.65 0.88 0.00 -1.33 0.00 0.00 177.39 177.92 1oxy h ALA 161 N 3.79 1.30 -0.03 -1.18 0.00 -1.46 -2.28 119.26 119.40 1oxy h ALA 161 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1oxy h ALA 161 Cb 1.04 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1oxy h ALA 161 CO 0.14 0.26 0.02 0.10 0.00 0.00 0.00 179.25 179.77 1oxy h TYR 162 N 0.00 0.00 0.00 0.00 -0.00 -1.82 -1.59 116.97 113.56 1oxy h TYR 162 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.69 1oxy h TYR 162 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.21 1oxy h TYR 162 CO 0.00 0.00 -0.50 -0.92 -0.00 0.00 0.00 178.16 176.74 1oxy h TYR 163 N 0.00 0.00 -0.77 0.10 3.20 -1.76 -3.34 116.97 114.41 1oxy h TYR 163 Ca 0.01 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1oxy h TYR 163 Cb 0.06 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1oxy h TYR 163 CO 0.00 0.27 0.37 0.00 -1.64 0.00 0.00 178.16 177.16 1oxy h ARG 164 N -1.00 1.09 -0.60 1.82 3.08 -1.55 -2.99 114.38 114.22 1oxy h ARG 164 Ca -0.05 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1oxy h ARG 164 Cb 0.55 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1oxy h ARG 164 CO -0.03 0.84 0.00 0.39 -1.07 0.00 0.00 179.97 180.09 1oxy n GLU 165 N -4.32 2.70 -1.87 0.04 1.02 -0.60 -3.22 120.64 114.39 1oxy n GLU 165 Ca 0.07 -2.19 -0.42 0.00 -0.02 0.00 0.00 57.16 54.61 1oxy n GLU 165 Cb 0.13 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 1oxy n GLU 165 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1oxy s ASP 166 N -0.92 6.50 0.14 1.62 2.15 -1.13 -4.92 116.67 120.11 1oxy s ASP 166 Ca 0.40 2.76 -0.17 0.00 0.43 0.00 0.00 52.55 55.97 1oxy s ASP 166 Cb 0.23 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1oxy s ASP 166 CO 0.24 -0.86 1.78 0.58 -0.17 0.00 0.00 175.17 176.74 1oxy h VAL 167 N 3.73 1.01 -0.18 1.11 2.07 -1.91 -3.00 116.25 119.08 1oxy h VAL 167 Ca -0.44 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 1oxy h VAL 167 Cb 1.21 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1oxy h VAL 167 CO 0.87 0.06 -0.23 1.23 0.02 0.00 0.00 177.57 179.53 1oxy h GLY 168 N 0.35 0.34 1.38 2.17 0.00 -1.98 -1.31 103.07 104.02 1oxy h GLY 168 Ca 0.13 -0.25 -0.18 0.00 0.00 0.00 0.00 47.33 47.03 1oxy h GLY 168 CO -0.07 0.23 -0.61 1.19 0.00 0.00 0.00 176.54 177.28 1oxy h ILE 169 N 0.29 1.31 -0.11 2.60 2.10 -1.89 -0.99 117.51 120.82 1oxy h ILE 169 Ca 0.05 -1.86 -0.20 0.00 1.08 0.00 0.00 64.86 63.93 1oxy h ILE 169 Cb 0.57 1.82 0.00 0.00 -1.09 0.00 0.00 36.82 38.12 1oxy h ILE 169 CO 0.04 0.58 -0.74 0.78 -1.08 0.00 0.00 178.15 177.73 1oxy h ASN 170 N 0.47 0.64 -0.22 2.19 2.35 -1.46 -2.08 115.58 117.48 1oxy h ASN 170 Ca -0.01 -0.42 -0.02 0.00 -0.55 0.00 0.00 56.30 55.31 1oxy h ASN 170 Cb 1.18 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 1oxy h ASN 170 CO 0.12 1.17 0.07 0.00 -1.65 0.00 0.00 177.43 177.14 1oxy h ALA 171 N 0.81 0.29 -0.79 -0.83 0.00 -1.12 -2.74 119.26 114.88 1oxy h ALA 171 Ca -0.04 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1oxy h ALA 171 Cb 1.33 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1oxy h ALA 171 CO 0.14 -0.08 0.52 1.25 0.00 0.00 0.00 179.25 181.07 1oxy h HIS 172 N 0.19 0.97 -0.35 0.00 -0.00 -1.08 -1.95 115.15 112.93 1oxy h HIS 172 Ca 0.07 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.44 1oxy h HIS 172 Cb 0.23 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.30 1oxy h HIS 172 CO 0.00 0.58 0.10 1.25 -0.00 0.00 0.00 177.93 179.87 1oxy h HIS 173 N 1.03 0.49 0.14 5.26 6.17 -1.25 0.12 115.15 127.11 1oxy h HIS 173 Ca 0.30 -0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.36 1oxy h HIS 173 Cb -0.05 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 29.73 1oxy h HIS 173 CO -0.02 0.42 -0.07 2.35 0.71 0.00 0.00 177.93 181.32 1oxy h TRP 174 N 0.49 -0.18 -0.46 5.26 2.91 -1.06 -3.04 115.95 119.88 1oxy h TRP 174 Ca 0.12 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.09 1oxy h TRP 174 Cb 0.16 0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 28.85 1oxy h TRP 174 CO 0.01 0.14 0.09 0.45 -1.03 0.00 0.00 178.44 178.10 1oxy h HIS 175 N -0.51 0.71 -0.37 2.65 3.86 -1.15 -2.93 115.15 117.41 1oxy h HIS 175 Ca -0.02 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1oxy h HIS 175 Cb 0.40 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1oxy h HIS 175 CO 0.03 0.62 0.18 2.35 0.86 0.00 0.00 177.93 181.96 1oxy h TRP 176 N 0.67 0.53 0.00 2.45 7.01 -0.76 -2.14 115.95 123.71 1oxy h TRP 176 Ca 0.15 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.12 1oxy h TRP 176 Cb 0.28 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.17 1oxy h TRP 176 CO 0.01 0.45 0.00 0.72 -2.79 0.00 0.00 178.44 176.84 1oxy n HIS 177 N -4.72 0.75 0.04 2.65 8.25 -1.14 -1.51 115.22 119.54 1oxy n HIS 177 Ca -0.01 0.29 0.04 0.00 -0.26 0.00 0.00 57.72 57.78 1oxy n HIS 177 Cb 0.11 -0.96 -0.07 0.00 1.12 0.00 0.00 29.99 30.18 1oxy n HIS 177 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1oxy n LEU 178 N -2.18 0.72 0.12 2.41 4.77 -0.86 -2.46 117.00 119.52 1oxy n LEU 178 Ca 0.03 0.31 -0.19 0.00 -0.03 0.00 0.00 56.01 56.12 1oxy n LEU 178 Cb 0.24 0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.24 1oxy n LEU 178 CO 0.20 0.05 -0.10 0.58 -1.33 0.00 0.00 177.39 176.79 1oxy h VAL 179 N 0.00 1.40 -2.29 4.08 2.07 -1.19 -3.39 116.25 116.93 1oxy h VAL 179 Ca -0.12 -2.84 -0.62 0.00 0.82 0.00 0.00 66.70 63.94 1oxy h VAL 179 Cb 1.40 2.92 -0.40 0.00 -1.52 0.00 0.00 31.29 33.69 1oxy h VAL 179 CO 0.03 0.84 -0.39 -1.22 0.02 0.00 0.00 177.57 176.84 1oxy n TYR 180 N -3.64 3.79 -2.44 1.57 4.01 -0.57 -5.08 117.16 114.81 1oxy n TYR 180 Ca -0.12 -3.82 -0.37 0.00 -0.16 0.00 0.00 57.90 53.44 1oxy n TYR 180 Cb 1.04 -0.61 -0.03 0.00 -0.31 0.00 0.00 39.34 39.43 1oxy n TYR 180 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1oxy s PRO 181 N -3.38 4.00 0.53 -0.72 0.04 -1.03 -4.73 135.00 129.72 1oxy s PRO 181 Ca 0.46 1.60 0.32 0.00 0.04 0.00 0.00 61.00 63.42 1oxy s PRO 181 Cb 0.24 -2.47 1.30 0.00 0.04 0.00 0.00 34.50 33.61 1oxy s PRO 181 CO -0.11 -0.31 1.96 0.66 0.04 0.00 0.00 177.00 179.25 1oxy h SER 182 N 2.29 0.00 0.09 6.66 4.64 -1.89 -2.78 113.55 122.56 1oxy h SER 182 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1oxy h SER 182 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1oxy h SER 182 CO 0.61 0.05 -0.07 0.35 -0.87 0.00 0.00 176.83 176.90 1oxy n THR 183 N -3.17 0.00 -1.64 2.95 -2.24 -1.26 -0.50 114.28 108.42 1oxy n THR 183 Ca 0.00 -0.17 -0.50 0.00 -2.27 0.00 0.00 64.05 61.11 1oxy n THR 183 Cb 0.32 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.76 1oxy n THR 183 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1oxy n TRP 184 N -0.30 2.11 -3.47 4.78 -0.00 -1.05 -4.75 117.44 114.76 1oxy n TRP 184 Ca 0.18 0.14 -0.43 0.00 -0.00 0.00 0.00 57.50 57.39 1oxy n TRP 184 Cb 0.31 -2.61 -0.09 0.00 -0.00 0.00 0.00 31.31 28.92 1oxy n TRP 184 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1oxy s ASN 185 N 4.92 6.02 0.46 5.87 3.84 -1.26 -4.42 114.94 130.37 1oxy s ASN 185 Ca 0.98 -1.15 0.21 0.00 0.21 0.00 0.00 52.86 53.11 1oxy s ASN 185 Cb -0.77 -2.13 1.14 0.00 -0.55 0.00 0.00 41.25 38.94 1oxy s ASN 185 CO 0.53 -0.53 1.98 -0.65 -2.79 0.00 0.00 177.10 175.64 1oxy h PRO 186 N 8.63 0.00 0.19 0.43 0.11 -1.93 -2.69 132.00 136.74 1oxy h PRO 186 Ca -0.27 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.52 1oxy h PRO 186 Cb 1.11 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.25 1oxy h PRO 186 CO 0.78 0.20 -1.37 1.57 -0.21 0.00 0.00 178.00 178.97 1oxy h LYS 187 N 0.00 0.55 -0.26 1.05 -0.00 -1.94 -2.24 116.57 113.74 1oxy h LYS 187 Ca -0.00 -0.85 0.04 0.00 -0.00 0.00 0.00 60.65 59.84 1oxy h LYS 187 Cb 0.43 0.30 -0.04 0.00 -0.00 0.00 0.00 32.23 32.93 1oxy h LYS 187 CO 0.03 1.40 0.03 -0.92 -0.00 0.00 0.00 179.45 179.98 1oxy h TYR 188 N 0.19 0.04 -0.00 0.07 3.20 -1.88 -2.18 116.97 116.41 1oxy h TYR 188 Ca -0.22 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1oxy h TYR 188 Cb 2.05 0.02 0.00 0.00 1.54 0.00 0.00 36.73 40.34 1oxy h TYR 188 CO 0.12 -0.01 -0.07 1.19 -1.64 0.00 0.00 178.16 177.74 1oxy n PHE 189 N -5.12 0.00 -0.95 -3.82 3.72 -1.15 -4.93 117.46 105.21 1oxy n PHE 189 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1oxy n PHE 189 Cb 0.12 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 1oxy n PHE 189 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1oxy n GLY 190 N 1.34 0.51 3.51 1.37 0.00 -0.82 -4.98 105.19 106.12 1oxy n GLY 190 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 1oxy n GLY 190 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oxy s LYS 191 N -0.43 0.86 0.42 1.61 -2.85 -0.87 -4.99 119.74 113.49 1oxy s LYS 191 Ca 0.00 0.57 -0.12 0.00 -1.00 0.00 0.00 55.97 55.42 1oxy s LYS 191 Cb 0.00 0.41 -0.07 0.00 -2.06 0.00 0.00 37.83 36.11 1oxy s LYS 191 CO 0.00 -0.19 0.81 0.15 0.10 0.00 0.00 175.35 176.22 1oxy s LYS 192 N -0.37 3.84 -0.40 1.78 3.01 -1.26 -4.64 119.74 121.69 1oxy s LYS 192 Ca -0.05 0.58 -0.12 0.00 -1.01 0.00 0.00 55.97 55.37 1oxy s LYS 192 Cb -0.03 -2.35 0.03 0.00 -1.01 0.00 0.00 37.83 34.48 1oxy s LYS 192 CO 0.05 -0.06 0.26 0.15 0.51 0.00 0.00 175.35 176.26 1oxy s LYS 193 N -3.79 2.86 0.12 1.68 -0.14 -1.26 -5.00 119.74 114.21 1oxy s LYS 193 Ca 0.53 -1.12 -0.31 0.00 -1.36 0.00 0.00 55.97 53.71 1oxy s LYS 193 Cb -0.10 -3.85 -0.08 0.00 -1.68 0.00 0.00 37.83 32.12 1oxy s LYS 193 CO 0.30 -0.77 1.39 0.34 -0.76 0.00 0.00 175.35 175.85 1oxy s ASP 194 N 1.73 6.82 -1.59 2.83 2.15 -1.26 -3.23 116.67 124.12 1oxy s ASP 194 Ca 0.03 2.34 -0.12 0.00 0.43 0.00 0.00 52.55 55.23 1oxy s ASP 194 Cb -0.20 -2.59 0.10 0.00 -0.30 0.00 0.00 42.92 39.93 1oxy s ASP 194 CO 0.07 -0.65 0.69 0.54 -0.17 0.00 0.00 175.17 175.66 1oxy n ARG 195 N 3.86 -3.50 -0.20 4.34 1.74 -1.26 -4.66 116.66 116.97 1oxy n ARG 195 Ca 0.11 0.41 -0.03 0.00 -0.77 0.00 0.00 57.85 57.57 1oxy n ARG 195 Cb 0.42 -4.96 0.15 0.00 -1.02 0.00 0.00 32.46 27.05 1oxy n ARG 195 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1oxy h LYS 196 N -1.69 0.99 -0.62 5.56 3.64 -1.93 -0.47 116.57 122.07 1oxy h LYS 196 Ca -0.60 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 58.53 1oxy h LYS 196 Cb 1.38 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1oxy h LYS 196 CO 0.72 0.82 0.07 0.78 -2.27 0.00 0.00 179.45 179.57 1oxy h GLY 197 N 1.05 1.11 2.00 5.01 0.00 -1.88 0.30 103.07 110.66 1oxy h GLY 197 Ca 0.23 -0.75 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 1oxy h GLY 197 CO -0.02 0.69 -0.57 -2.09 0.00 0.00 0.00 176.54 174.55 1oxy h GLU 198 N 0.96 0.00 0.07 4.80 4.81 -1.62 -2.57 114.58 121.03 1oxy h GLU 198 Ca 0.19 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.17 1oxy h GLU 198 Cb 0.46 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1oxy h GLU 198 CO 0.02 0.57 -1.10 1.25 -0.73 0.00 0.00 179.01 179.01 1oxy h LEU 199 N 0.00 0.30 0.05 1.64 6.46 -0.61 -1.79 115.31 121.37 1oxy h LEU 199 Ca -0.01 -0.30 0.01 0.00 -0.12 0.00 0.00 57.88 57.47 1oxy h LEU 199 Cb 1.03 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.84 1oxy h LEU 199 CO 0.07 1.20 -0.13 0.15 -0.62 0.00 0.00 178.44 179.12 1oxy h PHE 200 N 0.07 -0.33 -0.05 1.25 3.57 -0.82 0.71 116.94 121.34 1oxy h PHE 200 Ca -0.09 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.46 1oxy h PHE 200 Cb 1.82 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 40.65 1oxy h PHE 200 CO 0.04 -0.19 -0.18 -0.92 -2.23 0.00 0.00 178.31 174.83 1oxy h TYR 201 N -0.24 -0.48 -0.30 0.41 3.20 -1.43 -2.61 116.97 115.51 1oxy h TYR 201 Ca 0.03 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 1oxy h TYR 201 Cb 0.27 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1oxy h TYR 201 CO -0.16 -0.26 -0.00 -0.92 -1.64 0.00 0.00 178.16 175.18 1oxy h TYR 202 N -0.27 0.58 -0.60 -3.82 3.20 -1.11 -0.20 116.97 114.74 1oxy h TYR 202 Ca 0.07 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 61.85 1oxy h TYR 202 Cb 0.37 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 1oxy h TYR 202 CO -0.26 0.67 0.39 1.98 -1.64 0.00 0.00 178.16 179.30 1oxy h MET 203 N 0.32 0.77 -0.06 1.82 4.05 -0.85 -1.41 114.93 119.58 1oxy h MET 203 Ca 0.08 -0.05 -0.17 0.00 -0.28 0.00 0.00 59.70 59.28 1oxy h MET 203 Cb 0.44 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1oxy h MET 203 CO 0.02 0.51 -0.72 0.45 0.23 0.00 0.00 176.91 177.40 1oxy h HIS 204 N 0.79 0.42 -0.75 1.39 3.86 -1.41 -2.32 115.15 117.13 1oxy h HIS 204 Ca 0.22 -0.19 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 1oxy h HIS 204 Cb -0.07 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 1oxy h HIS 204 CO -0.04 0.92 0.28 0.37 0.86 0.00 0.00 177.93 180.32 1oxy h GLN 205 N 0.21 1.14 -0.05 2.45 -0.00 -0.81 -2.70 115.11 115.35 1oxy h GLN 205 Ca -0.03 -0.22 -0.12 0.00 -0.00 0.00 0.00 58.65 58.29 1oxy h GLN 205 Cb 1.28 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 28.57 1oxy h GLN 205 CO 0.12 0.94 -0.50 1.96 0.00 0.00 0.00 178.83 181.35 1oxy h GLN 206 N 1.10 0.12 -0.26 1.69 1.08 -1.07 -0.45 115.11 117.31 1oxy h GLN 206 Ca 0.25 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.28 1oxy h GLN 206 Cb 0.25 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1oxy h GLN 206 CO -0.02 0.60 -0.25 0.52 -0.95 0.00 0.00 178.83 178.73 1oxy h MET 207 N 0.10 0.51 -0.03 1.46 2.86 -1.12 0.42 114.93 119.13 1oxy h MET 207 Ca 0.00 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 1oxy h MET 207 Cb 0.92 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1oxy h MET 207 CO 0.07 0.72 -0.12 0.00 1.06 0.00 0.00 176.91 178.64 1oxy h ALA 209 N 0.40 0.92 -0.01 0.00 0.00 -1.01 -1.14 119.26 118.42 1oxy h ALA 209 Ca -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1oxy h ALA 209 Cb 0.76 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1oxy h ALA 209 CO 0.03 0.39 -0.44 0.00 0.00 0.00 0.00 179.25 179.22 1oxy h ARG 210 N 0.98 0.02 -0.26 0.00 3.08 -0.96 -2.69 114.38 114.55 1oxy h ARG 210 Ca 0.26 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.20 1oxy h ARG 210 Cb -0.03 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1oxy h ARG 210 CO -0.05 0.46 -0.23 -0.92 -1.07 0.00 0.00 179.97 178.16 1oxy h TYR 211 N 0.02 0.73 -0.23 3.04 3.20 -0.78 -2.85 116.97 120.10 1oxy h TYR 211 Ca -0.00 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 61.63 1oxy h TYR 211 Cb 0.79 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1oxy h TYR 211 CO 0.00 0.92 0.02 -0.44 -1.64 0.00 0.00 178.16 177.02 1oxy h ASP 212 N 0.34 0.30 0.25 -2.11 3.32 -1.06 0.92 116.42 118.38 1oxy h ASP 212 Ca 0.05 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1oxy h ASP 212 Cb 0.78 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1oxy h ASP 212 CO 0.06 0.34 -0.35 0.00 -1.72 0.00 0.00 179.24 177.58 1oxy h GLU 214 N 0.13 0.32 0.02 0.00 4.39 -0.72 -1.24 114.58 117.47 1oxy h GLU 214 Ca 0.02 -0.38 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 1oxy h GLU 214 Cb 0.68 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1oxy h GLU 214 CO 0.05 1.08 -0.01 0.00 -1.16 0.00 0.00 179.01 178.97 1oxy h ARG 215 N 0.16 -0.03 -0.10 2.33 3.08 -0.52 -2.40 114.38 116.90 1oxy h ARG 215 Ca -0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1oxy h ARG 215 Cb 1.63 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.68 1oxy h ARG 215 CO 0.16 0.23 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.19 1oxy h LEU 216 N -0.29 0.13 -0.77 3.04 3.38 -1.26 -0.01 115.31 119.54 1oxy h LEU 216 Ca -0.00 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1oxy h LEU 216 Cb 0.27 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1oxy h LEU 216 CO 0.01 0.19 0.29 0.28 0.09 0.00 0.00 178.44 179.29 1oxy h SER 217 N 0.14 1.08 -0.24 -0.43 0.02 -0.97 -2.48 113.55 110.67 1oxy h SER 217 Ca 0.03 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1oxy h SER 217 Cb 0.16 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1oxy h SER 217 CO 0.01 0.97 0.00 0.59 -1.14 0.00 0.00 176.83 177.26 1oxy n ASN 218 N -4.29 2.17 0.00 3.07 3.02 -0.53 -4.39 115.26 114.32 1oxy n ASN 218 Ca 0.07 -2.19 0.00 0.00 -0.03 0.00 0.00 54.58 52.43 1oxy n ASN 218 Cb 0.20 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1oxy n ASN 218 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oxy n GLY 219 N 0.56 0.45 3.94 7.41 0.00 -0.93 -5.03 105.19 111.59 1oxy n GLY 219 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1oxy n GLY 219 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1oxy s MET 220 N -0.41 3.49 0.76 1.61 -1.94 -0.13 -4.83 119.30 117.85 1oxy s MET 220 Ca 0.00 -0.40 -0.11 0.00 -1.71 0.00 0.00 55.69 53.47 1oxy s MET 220 Cb 0.00 -2.76 0.05 0.00 2.01 0.00 0.00 34.83 34.13 1oxy s MET 220 CO 0.00 0.28 1.09 -1.58 -0.01 0.00 0.00 175.02 174.80 1oxy s HIS 221 N -2.11 2.65 0.49 -0.03 5.65 -1.26 -3.24 115.29 117.43 1oxy s HIS 221 Ca 0.39 1.54 -0.22 0.00 0.25 0.00 0.00 55.06 57.02 1oxy s HIS 221 Cb -0.10 -3.03 -0.07 0.00 -1.18 0.00 0.00 32.58 28.20 1oxy s HIS 221 CO 0.32 -1.73 1.14 1.03 -0.65 0.00 0.00 174.74 174.86 1oxy s ARG 222 N -4.92 3.64 0.32 2.88 0.52 -1.26 -4.72 118.95 115.42 1oxy s ARG 222 Ca 0.61 1.68 -0.29 0.00 -0.52 0.00 0.00 55.73 57.21 1oxy s ARG 222 Cb -0.17 -2.25 -0.11 0.00 0.52 0.00 0.00 34.95 32.94 1oxy s ARG 222 CO 0.56 -0.63 1.45 0.00 0.02 0.00 0.00 175.30 176.70 1oxy s MET 223 N -2.93 4.20 0.06 3.54 0.23 -1.26 -5.01 119.30 118.14 1oxy s MET 223 Ca 0.67 2.43 -0.16 0.00 -1.03 0.00 0.00 55.69 57.60 1oxy s MET 223 Cb -0.26 -3.03 -0.06 0.00 -1.53 0.00 0.00 34.83 29.95 1oxy s MET 223 CO 0.31 -0.44 0.50 -0.51 -2.03 0.00 0.00 175.02 172.84 1oxy s LEU 224 N -1.37 4.47 0.34 0.18 1.43 -1.26 -5.04 118.68 117.42 1oxy s LEU 224 Ca 0.55 1.10 -0.28 0.00 -1.03 0.00 0.00 54.13 54.47 1oxy s LEU 224 Cb -0.44 -2.86 -0.09 0.00 0.03 0.00 0.00 46.19 42.83 1oxy s LEU 224 CO 0.54 0.26 1.21 -2.16 0.23 0.00 0.00 176.35 176.42 1oxy s PRO 225 N -1.30 4.33 -1.13 1.29 0.04 -1.26 -4.50 135.00 132.47 1oxy s PRO 225 Ca 0.29 1.99 -0.17 0.00 0.04 0.00 0.00 61.00 63.15 1oxy s PRO 225 Cb -0.17 -2.97 0.12 0.00 0.04 0.00 0.00 34.50 31.51 1oxy s PRO 225 CO 0.17 -0.13 1.43 0.12 0.04 0.00 0.00 177.00 178.62 1oxy s PHE 226 N -1.23 3.11 -0.81 0.56 5.36 -0.83 -4.71 117.98 119.42 1oxy s PHE 226 Ca 0.50 -1.65 0.13 0.00 -0.96 0.00 0.00 56.93 54.95 1oxy s PHE 226 Cb -0.35 -4.46 -0.10 0.00 -0.34 0.00 0.00 43.02 37.78 1oxy s PHE 226 CO 0.45 -1.59 0.62 0.27 -1.46 0.00 0.00 175.22 173.51 1oxy n ASN 227 N 6.94 0.88 -4.34 6.13 2.04 -1.26 -4.75 115.26 120.90 1oxy n ASN 227 Ca 0.36 -0.94 -0.40 0.00 -0.44 0.00 0.00 54.58 53.15 1oxy n ASN 227 Cb 0.46 0.83 -0.11 0.00 -2.53 0.00 0.00 39.78 38.43 1oxy n ASN 227 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1oxy s ASN 228 N -2.04 5.70 0.00 0.53 3.04 -1.26 -4.96 114.94 115.95 1oxy s ASN 228 Ca 0.07 -1.16 0.15 0.00 0.04 0.00 0.00 52.86 51.96 1oxy s ASN 228 Cb 0.10 -2.01 0.90 0.00 -1.54 0.00 0.00 41.25 38.70 1oxy s ASN 228 CO 0.47 -0.44 1.32 0.49 -3.04 0.00 0.00 177.10 175.90 1oxy n PHE 229 N 4.97 0.00 1.11 0.43 3.01 -1.26 -2.00 117.46 123.72 1oxy n PHE 229 Ca -0.11 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.47 1oxy n PHE 229 Cb 0.45 0.00 0.23 0.00 -0.01 0.00 0.00 39.48 40.14 1oxy n PHE 229 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1oxy n ASP 230 N -0.97 2.59 -4.76 4.37 8.00 -1.26 -4.56 116.55 119.96 1oxy n ASP 230 Ca 0.11 -1.86 -0.41 0.00 0.71 0.00 0.00 54.79 53.35 1oxy n ASP 230 Cb 0.05 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.10 1oxy n ASP 230 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1oxy s GLU 231 N -1.98 4.56 0.27 -1.24 8.01 -0.85 -4.95 118.70 122.52 1oxy s GLU 231 Ca 0.31 1.89 -0.29 0.00 0.01 0.00 0.00 54.97 56.89 1oxy s GLU 231 Cb 0.20 -3.18 -0.10 0.00 -4.31 0.00 0.00 34.13 26.75 1oxy s GLU 231 CO 0.31 0.08 1.33 -1.25 0.01 0.00 0.00 175.26 175.74 1oxy s PRO 232 N -1.27 4.36 0.29 0.39 0.04 -1.26 -4.59 135.00 132.96 1oxy s PRO 232 Ca 0.47 2.17 -0.15 0.00 0.04 0.00 0.00 61.00 63.52 1oxy s PRO 232 Cb -0.33 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.00 1oxy s PRO 232 CO 0.42 -0.24 0.71 -0.51 0.04 0.00 0.00 177.00 177.42 1oxy s LEU 233 N -0.95 4.13 0.60 -3.56 1.02 0.65 -4.86 118.68 115.72 1oxy s LEU 233 Ca 0.53 1.26 -0.14 0.00 0.02 0.00 0.00 54.13 55.80 1oxy s LEU 233 Cb -0.39 -3.93 -0.03 0.00 0.02 0.00 0.00 46.19 41.86 1oxy s LEU 233 CO 0.46 -0.14 1.04 0.00 0.02 0.00 0.00 176.35 177.73 1oxy s ALA 234 N -1.87 2.81 0.49 4.21 0.00 -1.26 -1.76 121.76 124.37 1oxy s ALA 234 Ca 0.51 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1oxy s ALA 234 Cb -0.12 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1oxy s ALA 234 CO 0.18 -0.79 0.70 0.20 0.00 0.00 0.00 175.76 176.05 1oxy s GLY 235 N -3.15 1.71 -0.26 0.00 0.00 -1.25 -4.82 107.32 99.53 1oxy s GLY 235 Ca 0.61 -1.24 -0.15 0.00 0.00 0.00 0.00 44.72 43.94 1oxy s GLY 235 CO 0.41 -1.02 0.65 -0.47 0.00 0.00 0.00 173.10 172.67 1oxy s TYR 236 N -2.61 -1.00 -0.28 1.90 5.04 -0.10 -4.91 117.35 115.39 1oxy s TYR 236 Ca 0.52 2.02 -0.06 0.00 -2.44 0.00 0.00 57.07 57.12 1oxy s TYR 236 Cb -0.10 0.58 0.01 0.00 0.35 0.00 0.00 41.96 42.80 1oxy s TYR 236 CO 0.37 -0.50 0.04 0.00 -1.34 0.00 0.00 175.55 174.12 1oxy s ALA 237 N 1.60 2.98 0.18 3.97 0.00 -1.26 -1.16 121.76 128.07 1oxy s ALA 237 Ca -0.10 -1.41 0.09 0.00 0.00 0.00 0.00 51.96 50.54 1oxy s ALA 237 Cb -0.05 -2.02 0.05 0.00 0.00 0.00 0.00 23.12 21.10 1oxy s ALA 237 CO -0.19 -0.84 1.43 -1.00 0.00 0.00 0.00 175.76 175.17 1oxy h PRO 238 N 8.18 0.00 -6.06 0.00 0.13 -1.89 -3.48 132.00 128.87 1oxy h PRO 238 Ca -0.33 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.37 1oxy h PRO 238 Cb 1.13 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.31 1oxy h PRO 238 CO 0.60 0.82 -0.74 0.72 -0.23 0.00 0.00 178.00 179.16 1oxy n HIS 239 N -3.55 -2.45 -4.50 1.56 8.25 -1.26 -4.94 115.22 108.32 1oxy n HIS 239 Ca -0.00 0.94 -0.33 0.00 -0.26 0.00 0.00 57.72 58.07 1oxy n HIS 239 Cb 0.79 -4.50 -0.16 0.00 1.12 0.00 0.00 29.99 27.24 1oxy n HIS 239 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oxy s LEU 240 N -7.14 2.26 0.45 2.41 1.43 -1.26 -1.13 118.68 115.70 1oxy s LEU 240 Ca 0.50 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1oxy s LEU 240 Cb -0.24 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.48 1oxy s LEU 240 CO 0.78 0.06 0.67 -0.89 0.23 0.00 0.00 176.35 177.21 1oxy s THR 241 N 0.92 3.90 -0.52 5.49 2.01 -1.26 -2.41 115.64 123.77 1oxy s THR 241 Ca -0.04 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.47 1oxy s THR 241 Cb -0.15 -3.44 0.15 0.00 0.01 0.00 0.00 72.50 69.07 1oxy s THR 241 CO -0.03 -0.31 0.35 -2.28 -0.69 0.00 0.00 174.62 171.66 1oxy s HIS 242 N -2.56 2.35 0.43 4.92 2.46 -0.04 -4.64 115.29 118.20 1oxy s HIS 242 Ca 0.49 -2.74 0.26 0.00 0.47 0.00 0.00 55.06 53.54 1oxy s HIS 242 Cb -0.10 -1.97 1.31 0.00 -0.13 0.00 0.00 32.58 31.69 1oxy s HIS 242 CO 0.38 -0.71 1.68 0.28 -2.47 0.00 0.00 174.74 173.90 1oxy h VAL 243 N 4.83 0.28 0.00 0.89 2.07 -1.94 -1.00 116.25 121.39 1oxy h VAL 243 Ca 0.11 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1oxy h VAL 243 Cb 0.86 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1oxy h VAL 243 CO 0.54 0.04 0.24 0.00 0.02 0.00 0.00 177.57 178.41 1oxy h ALA 244 N 1.60 1.17 0.00 1.67 0.00 -1.93 -3.01 119.26 118.76 1oxy h ALA 244 Ca 0.73 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.64 1oxy h ALA 244 Cb 2.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1oxy h ALA 244 CO -0.36 -0.17 0.00 -1.13 0.00 0.00 0.00 179.25 177.60 1oxy n SER 245 N -2.18 0.00 -1.06 0.00 3.41 -0.89 -4.55 113.62 108.36 1oxy n SER 245 Ca -0.01 -0.79 -0.10 0.00 -0.26 0.00 0.00 58.87 57.71 1oxy n SER 245 Cb 0.26 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 1oxy n SER 245 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oxy n GLY 246 N 0.00 0.31 0.00 5.00 0.00 -0.43 -5.02 105.19 105.05 1oxy n GLY 246 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1oxy n GLY 246 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1oxy n LYS 247 N -2.20 3.07 -3.81 1.61 5.02 -1.00 -4.94 118.16 115.91 1oxy n LYS 247 Ca -0.12 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.08 1oxy n LYS 247 Cb 0.52 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.49 1oxy n LYS 247 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1oxy s TYR 248 N 1.04 -0.04 -0.21 2.13 -0.85 -1.26 -0.86 117.35 117.31 1oxy s TYR 248 Ca 0.00 -0.33 -0.27 0.00 -0.52 0.00 0.00 57.07 55.95 1oxy s TYR 248 Cb 0.00 0.42 -0.00 0.00 0.38 0.00 0.00 41.96 42.76 1oxy s TYR 248 CO 0.00 -1.00 0.94 0.71 -1.52 0.00 0.00 175.55 174.68 1oxy s TYR 249 N -3.91 3.37 0.14 -3.49 2.02 -1.01 -4.55 117.35 109.92 1oxy s TYR 249 Ca 0.12 1.35 -0.31 0.00 -0.37 0.00 0.00 57.07 57.86 1oxy s TYR 249 Cb -0.02 -3.15 -0.09 0.00 -0.40 0.00 0.00 41.96 38.30 1oxy s TYR 249 CO 0.02 -0.38 1.55 0.45 -1.57 0.00 0.00 175.55 175.61 1oxy s SER 250 N 1.22 6.64 0.78 2.29 0.15 -0.94 -4.71 113.70 119.12 1oxy s SER 250 Ca 0.41 2.54 -0.11 0.00 0.70 0.00 0.00 55.95 59.49 1oxy s SER 250 Cb -0.16 -2.59 0.06 0.00 -1.71 0.00 0.00 66.02 61.63 1oxy s SER 250 CO 0.09 -0.80 1.09 -2.84 1.20 0.00 0.00 173.24 171.98 1oxy s PRO 251 N 1.39 2.18 -0.18 5.44 0.02 -1.26 -4.25 135.00 138.35 1oxy s PRO 251 Ca 0.70 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.81 1oxy s PRO 251 Cb -0.42 -1.89 0.04 0.00 0.02 0.00 0.00 34.50 32.25 1oxy s PRO 251 CO 0.31 -1.67 -0.09 0.50 -0.33 0.00 0.00 177.00 175.72 1oxy s ARG 252 N -4.93 1.81 0.95 5.54 3.52 -0.31 -4.89 118.95 120.64 1oxy s ARG 252 Ca 0.61 -0.67 -0.12 0.00 -0.13 0.00 0.00 55.73 55.42 1oxy s ARG 252 Cb -0.17 -2.20 0.16 0.00 -1.56 0.00 0.00 34.95 31.18 1oxy s ARG 252 CO 0.56 -0.40 1.09 -1.25 -0.81 0.00 0.00 175.30 174.49 1oxy s PRO 253 N 1.51 0.84 0.47 5.12 0.04 -1.26 -0.92 135.00 140.80 1oxy s PRO 253 Ca 0.00 0.71 -0.19 0.00 0.04 0.00 0.00 61.00 61.55 1oxy s PRO 253 Cb -0.15 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 1oxy s PRO 253 CO -0.08 -2.50 0.99 -0.51 0.04 0.00 0.00 177.00 174.94 1oxy s ASP 254 N -3.40 6.62 0.00 6.66 1.01 -1.26 -3.92 116.67 122.39 1oxy s ASP 254 Ca 0.64 1.74 0.00 0.00 0.71 0.00 0.00 52.55 55.64 1oxy s ASP 254 Cb -0.18 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1oxy s ASP 254 CO 0.57 -0.58 0.00 0.61 0.21 0.00 0.00 175.17 175.98 1oxy n GLY 255 N -0.75 0.60 3.84 0.21 0.00 -0.72 -4.90 105.19 103.46 1oxy n GLY 255 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1oxy n GLY 255 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oxy s LEU 256 N 0.00 4.04 0.03 0.99 1.43 -1.25 -4.73 118.68 119.18 1oxy s LEU 256 Ca 0.00 1.41 0.09 0.00 -1.03 0.00 0.00 54.13 54.59 1oxy s LEU 256 Cb 0.00 -4.19 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 1oxy s LEU 256 CO 0.00 -0.24 -0.25 -0.54 0.23 0.00 0.00 176.35 175.55 1oxy s LYS 257 N -3.00 1.92 0.03 1.70 1.02 -1.26 -0.25 119.74 119.89 1oxy s LYS 257 Ca 0.56 -1.05 -0.37 0.00 0.02 0.00 0.00 55.97 55.13 1oxy s LYS 257 Cb -0.10 -2.03 -0.16 0.00 -0.52 0.00 0.00 37.83 35.02 1oxy s LYS 257 CO 0.16 0.53 1.43 1.28 -0.92 0.00 0.00 175.35 177.83 1oxy n LEU 258 N 1.90 1.88 -4.34 3.17 4.77 -1.26 -4.99 117.00 118.12 1oxy n LEU 258 Ca -0.17 1.11 -0.18 0.00 -0.03 0.00 0.00 56.01 56.74 1oxy n LEU 258 Cb 0.52 -1.20 -0.10 0.00 -2.33 0.00 0.00 43.42 40.31 1oxy n LEU 258 CO 0.24 -0.89 -0.40 -0.60 -1.33 0.00 0.00 177.39 174.41 1oxy s ARG 259 N 1.08 1.31 0.17 3.23 6.06 -1.26 -5.00 118.95 124.55 1oxy s ARG 259 Ca 0.87 -1.61 -0.33 0.00 -2.50 0.00 0.00 55.73 52.15 1oxy s ARG 259 Cb -0.96 -0.93 -0.13 0.00 0.06 0.00 0.00 34.95 32.99 1oxy s ARG 259 CO 0.50 0.08 1.64 -0.25 -2.50 0.00 0.00 175.30 174.77 1oxy n ASP 260 N -0.39 3.46 -4.99 -2.12 8.00 -1.26 -4.80 116.55 114.45 1oxy n ASP 260 Ca -0.07 1.07 -0.19 0.00 0.71 0.00 0.00 54.79 56.30 1oxy n ASP 260 Cb 0.62 -1.48 0.02 0.00 -0.02 0.00 0.00 41.12 40.25 1oxy n ASP 260 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1oxy s LEU 261 N 1.12 3.52 0.40 0.64 1.43 -0.15 -4.66 118.68 120.98 1oxy s LEU 261 Ca 0.78 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.79 1oxy s LEU 261 Cb -0.61 -2.80 0.83 0.00 0.03 0.00 0.00 46.19 43.64 1oxy s LEU 261 CO 0.36 -0.89 2.02 1.23 0.23 0.00 0.00 176.35 179.30 1oxy h GLY 262 N 0.40 0.50 1.60 -3.19 0.00 -1.93 -2.92 103.07 97.53 1oxy h GLY 262 Ca -0.42 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1oxy h GLY 262 CO 0.50 0.21 -0.34 -0.55 0.00 0.00 0.00 176.54 176.36 1oxy h ASP 263 N 0.47 0.00 -4.37 0.19 3.32 -1.95 -3.47 116.42 110.61 1oxy h ASP 263 Ca 0.12 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 1oxy h ASP 263 Cb 0.06 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.40 1oxy h ASP 263 CO -0.02 0.03 -0.03 -0.51 -1.72 0.00 0.00 179.24 177.00 1oxy s ILE 264 N -3.19 0.01 0.06 0.35 1.10 -1.10 -5.16 121.20 113.27 1oxy s ILE 264 Ca 0.07 -0.08 0.01 0.00 -0.51 0.00 0.00 60.65 60.14 1oxy s ILE 264 Cb 0.10 -0.82 -0.04 0.00 0.15 0.00 0.00 42.46 41.86 1oxy s ILE 264 CO 0.68 -0.04 0.12 -1.61 -2.11 0.00 0.00 174.94 171.98 1oxy s GLU 265 N -0.33 3.10 0.33 3.50 2.02 -1.26 -0.98 118.70 125.08 1oxy s GLU 265 Ca -0.05 -0.57 0.06 0.00 0.02 0.00 0.00 54.97 54.43 1oxy s GLU 265 Cb -0.03 -2.85 0.59 0.00 0.10 0.00 0.00 34.13 31.94 1oxy s GLU 265 CO 0.04 0.59 1.82 0.82 0.02 0.00 0.00 175.26 178.54 1oxy h ILE 266 N 2.50 1.23 0.00 -1.63 1.08 -1.94 -1.91 117.51 116.84 1oxy h ILE 266 Ca -0.46 -1.06 0.00 0.00 -0.39 0.00 0.00 64.86 62.94 1oxy h ILE 266 Cb 1.16 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 36.22 1oxy h ILE 266 CO 0.69 0.33 0.00 0.77 -0.69 0.00 0.00 178.15 179.25 1oxy h SER 267 N 0.31 0.00 0.63 1.72 4.64 -1.99 -1.14 113.55 117.72 1oxy h SER 267 Ca 0.05 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.15 1oxy h SER 267 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1oxy h SER 267 CO 0.04 0.00 -1.02 -0.33 -0.87 0.00 0.00 176.83 174.65 1oxy h GLU 268 N 0.00 0.22 -0.39 4.77 5.08 -1.75 -2.76 114.58 119.74 1oxy h GLU 268 Ca 0.00 -0.29 -0.15 0.00 -1.00 0.00 0.00 59.36 57.92 1oxy h GLU 268 Cb 0.43 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1oxy h GLU 268 CO 0.00 1.06 -0.33 0.52 -1.00 0.00 0.00 179.01 179.26 1oxy h MET 269 N 0.10 0.89 -0.27 2.33 2.86 -1.16 -2.31 114.93 117.38 1oxy h MET 269 Ca -0.07 -0.43 -0.03 0.00 -2.06 0.00 0.00 59.70 57.11 1oxy h MET 269 Cb 1.70 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.34 1oxy h MET 269 CO 0.16 1.08 0.05 0.28 1.06 0.00 0.00 176.91 179.54 1oxy h VAL 270 N 0.74 1.14 -0.21 -2.22 2.07 -1.43 -2.14 116.25 114.21 1oxy h VAL 270 Ca 0.07 -0.51 -0.15 0.00 0.82 0.00 0.00 66.70 66.93 1oxy h VAL 270 Cb 0.90 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1oxy h VAL 270 CO 0.08 0.18 -0.50 -0.09 0.02 0.00 0.00 177.57 177.26 1oxy h ARG 271 N 0.38 0.59 -0.42 1.57 2.43 -1.27 -2.35 114.38 115.31 1oxy h ARG 271 Ca 0.09 -0.35 -0.12 0.00 -0.81 0.00 0.00 59.98 58.79 1oxy h ARG 271 Cb 0.18 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1oxy h ARG 271 CO -0.00 0.95 -0.21 0.52 -1.51 0.00 0.00 179.97 179.72 1oxy h MET 272 N 0.46 0.89 -0.50 0.20 2.86 -0.84 -2.11 114.93 115.88 1oxy h MET 272 Ca 0.02 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.25 1oxy h MET 272 Cb 1.04 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.66 1oxy h MET 272 CO 0.10 1.04 0.23 -0.09 1.06 0.00 0.00 176.91 179.25 1oxy h ARG 273 N 0.71 0.73 -0.47 1.72 2.43 -1.33 -2.29 114.38 115.88 1oxy h ARG 273 Ca 0.09 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1oxy h ARG 273 Cb 0.78 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1oxy h ARG 273 CO 0.06 0.62 0.03 0.93 -1.51 0.00 0.00 179.97 180.11 1oxy h GLU 274 N 0.66 0.80 -0.49 0.20 4.39 -1.39 -1.70 114.58 117.05 1oxy h GLU 274 Ca 0.17 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1oxy h GLU 274 Cb 0.14 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1oxy h GLU 274 CO -0.02 0.84 0.15 0.00 -1.16 0.00 0.00 179.01 178.82 1oxy h ARG 275 N 0.66 0.73 -0.07 2.33 3.08 -1.28 -2.09 114.38 117.75 1oxy h ARG 275 Ca 0.14 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1oxy h ARG 275 Cb 0.45 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1oxy h ARG 275 CO 0.02 0.64 -0.12 0.82 -1.07 0.00 0.00 179.97 180.26 1oxy h ILE 276 N 0.71 1.41 -0.64 2.04 2.04 -1.17 -2.81 117.51 119.09 1oxy h ILE 276 Ca 0.17 -1.40 0.01 0.00 1.00 0.00 0.00 64.86 64.63 1oxy h ILE 276 Cb 0.22 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 1oxy h ILE 276 CO -0.01 0.39 0.42 -0.07 0.00 0.00 0.00 178.15 178.89 1oxy h LEU 277 N -0.28 0.72 0.11 1.44 3.38 -1.25 -1.12 115.31 118.31 1oxy h LEU 277 Ca 0.00 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1oxy h LEU 277 Cb 0.69 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1oxy h LEU 277 CO 0.03 0.51 -0.39 -0.78 0.09 0.00 0.00 178.44 177.90 1oxy h ASP 278 N 0.84 -1.15 -0.96 -0.43 3.58 -1.36 -0.46 116.42 116.48 1oxy h ASP 278 Ca 0.24 0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.82 1oxy h ASP 278 Cb -0.06 0.44 -0.05 0.00 1.72 0.00 0.00 39.33 41.38 1oxy h ASP 278 CO -0.06 -0.47 0.59 0.28 -2.88 0.00 0.00 179.24 176.71 1oxy h SER 279 N -0.62 1.14 -0.45 2.28 0.02 -1.17 -0.70 113.55 114.05 1oxy h SER 279 Ca 0.03 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1oxy h SER 279 Cb 0.65 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1oxy h SER 279 CO -0.23 0.86 0.24 0.40 -1.14 0.00 0.00 176.83 176.95 1oxy h ILE 280 N 1.31 1.17 0.00 3.27 2.04 -0.82 0.11 117.51 124.58 1oxy h ILE 280 Ca 0.35 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1oxy h ILE 280 Cb -0.08 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1oxy h ILE 280 CO -0.07 0.18 -0.04 0.45 0.00 0.00 0.00 178.15 178.67 1oxy h HIS 281 N 0.59 0.00 0.00 1.37 3.86 -0.53 -2.99 115.15 117.45 1oxy h HIS 281 Ca 0.16 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.25 1oxy h HIS 281 Cb 0.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1oxy h HIS 281 CO -0.02 0.04 -1.37 1.28 0.86 0.00 0.00 177.93 178.72 1oxy n LEU 282 N -3.13 0.78 0.00 2.43 4.77 -0.32 -4.98 117.00 116.54 1oxy n LEU 282 Ca 0.02 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1oxy n LEU 282 Cb 0.41 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1oxy n LEU 282 CO 0.31 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1oxy n GLY 283 N 1.34 0.70 3.22 -0.72 0.00 0.34 -5.04 105.19 105.04 1oxy n GLY 283 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 1oxy n GLY 283 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1oxy s TYR 284 N -2.23 0.20 0.07 1.61 -0.85 -1.00 -1.71 117.35 113.44 1oxy s TYR 284 Ca 0.00 -0.63 0.08 0.00 -0.52 0.00 0.00 57.07 56.01 1oxy s TYR 284 Cb 0.00 -0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 1oxy s TYR 284 CO 0.00 -0.57 -0.20 0.54 -1.52 0.00 0.00 175.55 173.81 1oxy s VAL 285 N -3.88 2.70 -0.27 -3.49 0.11 0.42 -4.45 120.40 111.54 1oxy s VAL 285 Ca 0.07 -1.36 -0.11 0.00 -2.93 0.00 0.00 61.98 57.65 1oxy s VAL 285 Cb 0.05 -2.17 -0.05 0.00 -1.53 0.00 0.00 36.38 32.68 1oxy s VAL 285 CO -0.09 0.24 0.17 -0.63 -3.33 0.00 0.00 175.10 171.46 1oxy s ILE 286 N -1.00 5.24 0.65 7.04 1.01 -1.26 -0.73 121.20 132.14 1oxy s ILE 286 Ca 0.15 0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.83 1oxy s ILE 286 Cb -0.10 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 1oxy s ILE 286 CO 0.07 0.27 1.05 -0.44 0.00 0.00 0.00 174.94 175.89 1oxy s SER 287 N 1.62 5.76 0.44 3.58 0.01 0.12 -4.55 113.70 120.69 1oxy s SER 287 Ca 0.07 1.59 0.26 0.00 1.31 0.00 0.00 55.95 59.17 1oxy s SER 287 Cb -0.16 -2.49 1.29 0.00 0.21 0.00 0.00 66.02 64.87 1oxy s SER 287 CO 0.09 -1.19 1.74 -0.33 0.41 0.00 0.00 173.24 173.96 1oxy h GLU 288 N -0.34 0.22 -0.47 12.44 5.08 -1.80 0.14 114.58 129.86 1oxy h GLU 288 Ca -0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1oxy h GLU 288 Cb 1.20 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1oxy h GLU 288 CO 0.59 0.15 0.00 -0.40 -1.00 0.00 0.00 179.01 178.34 1oxy n ASP 289 N -4.54 1.56 0.00 1.42 5.75 -1.26 -4.88 116.55 114.60 1oxy n ASP 289 Ca 0.29 -2.10 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1oxy n ASP 289 Cb 1.11 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 1oxy n ASP 289 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1oxy n GLY 290 N 0.57 0.92 3.92 6.12 0.00 0.49 -5.03 105.19 112.18 1oxy n GLY 290 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1oxy n GLY 290 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oxy s SER 291 N -2.90 5.74 -0.40 1.61 1.04 -1.25 -4.75 113.70 112.80 1oxy s SER 291 Ca 0.00 0.67 -0.16 0.00 0.48 0.00 0.00 55.95 56.94 1oxy s SER 291 Cb 0.00 -1.76 0.01 0.00 0.10 0.00 0.00 66.02 64.37 1oxy s SER 291 CO 0.00 -0.92 0.38 -1.00 0.98 0.00 0.00 173.24 172.68 1oxy s HIS 292 N -2.87 3.20 0.04 5.02 3.76 -1.26 -0.70 115.29 122.47 1oxy s HIS 292 Ca 0.52 -0.34 -0.21 0.00 -0.15 0.00 0.00 55.06 54.89 1oxy s HIS 292 Cb -0.10 -2.76 -0.06 0.00 1.11 0.00 0.00 32.58 30.77 1oxy s HIS 292 CO 0.44 -0.60 0.61 0.15 -0.85 0.00 0.00 174.74 174.49 1oxy s LYS 293 N 1.99 4.31 0.08 1.40 1.02 0.09 -4.89 119.74 123.74 1oxy s LYS 293 Ca 0.10 0.80 -0.20 0.00 0.02 0.00 0.00 55.97 56.69 1oxy s LYS 293 Cb -0.17 -3.30 -0.07 0.00 -0.52 0.00 0.00 37.83 33.77 1oxy s LYS 293 CO 0.12 0.47 0.59 0.99 -0.92 0.00 0.00 175.35 176.60 1oxy s THR 294 N -0.57 4.70 -1.31 2.17 2.01 -1.26 -0.43 115.64 120.95 1oxy s THR 294 Ca 0.31 1.26 -0.13 0.00 0.31 0.00 0.00 61.69 63.45 1oxy s THR 294 Cb -0.19 -3.92 0.12 0.00 0.01 0.00 0.00 72.50 68.52 1oxy s THR 294 CO 0.19 0.55 1.82 0.18 -0.69 0.00 0.00 174.62 176.67 1oxy n LEU 295 N 1.70 6.03 -4.73 4.42 4.77 -0.69 -4.79 117.00 123.71 1oxy n LEU 295 Ca -0.10 -4.35 -0.29 0.00 -0.03 0.00 0.00 56.01 51.24 1oxy n LEU 295 Cb 0.51 -1.60 0.16 0.00 -2.33 0.00 0.00 43.42 40.15 1oxy n LEU 295 CO 0.42 0.93 0.68 1.51 -1.33 0.00 0.00 177.39 179.59 1oxy s ASP 296 N 2.50 3.02 0.41 -1.43 -4.77 -1.26 -4.71 116.67 110.43 1oxy s ASP 296 Ca 0.45 1.06 0.18 0.00 -3.30 0.00 0.00 52.55 50.94 1oxy s ASP 296 Cb 0.06 -1.68 0.88 0.00 -1.09 0.00 0.00 42.92 41.10 1oxy s ASP 296 CO -0.00 -2.87 1.85 -0.33 0.70 0.00 0.00 175.17 174.52 1oxy h GLU 297 N -1.71 0.00 0.25 2.11 5.08 -1.99 -0.31 114.58 117.99 1oxy h GLU 297 Ca -0.53 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1oxy h GLU 297 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1oxy h GLU 297 CO 0.60 0.31 -0.12 1.25 -1.00 0.00 0.00 179.01 180.06 1oxy h LEU 298 N 0.00 -0.28 -1.51 1.33 6.46 -1.99 -3.41 115.31 115.91 1oxy h LEU 298 Ca -0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1oxy h LEU 298 Cb 0.66 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1oxy h LEU 298 CO 0.04 -0.05 -0.14 1.41 -0.62 0.00 0.00 178.44 179.08 1oxy n HIS 299 N -3.70 0.00 -0.21 1.25 8.25 -1.25 -4.69 115.22 114.87 1oxy n HIS 299 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1oxy n HIS 299 Cb 0.13 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.35 1oxy n HIS 299 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1oxy h GLY 300 N 4.08 0.87 1.38 -1.41 0.00 -1.29 -1.45 103.07 105.25 1oxy h GLY 300 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1oxy h GLY 300 CO 0.00 -0.03 0.14 -0.84 0.00 0.00 0.00 176.54 175.81 1oxy h THR 301 N 0.41 1.22 -0.20 4.70 2.02 -1.84 -1.68 112.91 117.54 1oxy h THR 301 Ca 0.31 -0.76 -0.07 0.00 0.77 0.00 0.00 66.41 66.66 1oxy h THR 301 Cb 0.40 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1oxy h THR 301 CO -0.32 0.29 -0.16 -0.78 0.37 0.00 0.00 175.52 174.92 1oxy h ASP 302 N 0.76 0.49 -0.17 4.18 3.58 -1.71 0.26 116.42 123.82 1oxy h ASP 302 Ca 0.17 -0.45 0.03 0.00 0.42 0.00 0.00 57.03 57.20 1oxy h ASP 302 Cb 0.26 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 1oxy h ASP 302 CO -0.00 0.84 0.01 0.40 -2.88 0.00 0.00 179.24 177.60 1oxy h ILE 303 N 0.14 0.89 -0.72 2.25 2.04 -1.08 -1.75 117.51 119.28 1oxy h ILE 303 Ca 0.04 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 1oxy h ILE 303 Cb 0.68 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1oxy h ILE 303 CO 0.04 0.01 0.19 0.25 0.00 0.00 0.00 178.15 178.64 1oxy h LEU 304 N 0.07 1.08 -0.99 1.44 5.85 -1.31 -2.41 115.31 119.03 1oxy h LEU 304 Ca 0.08 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1oxy h LEU 304 Cb 0.09 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1oxy h LEU 304 CO -0.13 1.02 0.12 1.23 -0.34 0.00 0.00 178.44 180.35 1oxy h GLY 305 N 1.10 0.92 1.38 3.75 0.00 -0.48 -0.55 103.07 109.19 1oxy h GLY 305 Ca 0.23 -0.54 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 1oxy h GLY 305 CO -0.00 0.50 -0.35 0.00 0.00 0.00 0.00 176.54 176.70 1oxy h ALA 306 N 1.31 0.81 -0.00 3.60 0.00 -1.09 -2.78 119.26 121.11 1oxy h ALA 306 Ca 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1oxy h ALA 306 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1oxy h ALA 306 CO 0.00 0.65 -0.49 1.47 0.00 0.00 0.00 179.25 180.87 1oxy n LEU 307 N -4.06 0.57 -0.08 0.00 -0.00 -0.93 -1.43 117.00 111.07 1oxy n LEU 307 Ca -0.01 -0.04 -0.21 0.00 -0.00 0.00 0.00 56.01 55.74 1oxy n LEU 307 Cb 0.50 -0.23 -0.12 0.00 -0.00 0.00 0.00 43.42 43.56 1oxy n LEU 307 CO 0.45 0.14 -0.53 0.58 -0.00 0.00 0.00 177.39 178.03 1oxy h VAL 308 N 0.12 0.91 0.16 1.47 2.07 -1.09 -3.38 116.25 116.49 1oxy h VAL 308 Ca 0.00 -2.23 -0.01 0.00 0.82 0.00 0.00 66.70 65.29 1oxy h VAL 308 Cb 0.50 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1oxy h VAL 308 CO 0.00 0.44 -0.07 -0.08 0.02 0.00 0.00 177.57 177.88 1oxy h GLU 309 N -0.78 -0.20 -1.93 1.57 4.81 -1.67 -2.10 114.58 114.29 1oxy h GLU 309 Ca -0.35 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1oxy h GLU 309 Cb 1.44 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.87 1oxy h GLU 309 CO -0.14 -0.08 0.00 0.43 -0.73 0.00 0.00 179.01 178.49 1oxy n SER 310 N -5.15 -1.68 -4.77 1.04 7.64 -1.16 -2.87 113.62 106.66 1oxy n SER 310 Ca -0.09 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.52 1oxy n SER 310 Cb 0.13 -0.84 -0.06 0.00 -1.01 0.00 0.00 64.21 62.43 1oxy n SER 310 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1oxy s SER 311 N 0.00 4.35 0.43 6.43 1.04 -0.52 -4.86 113.70 120.57 1oxy s SER 311 Ca 0.00 -1.27 0.09 0.00 0.48 0.00 0.00 55.95 55.25 1oxy s SER 311 Cb 0.00 -0.06 0.92 0.00 0.10 0.00 0.00 66.02 66.98 1oxy s SER 311 CO 0.00 -0.72 2.07 0.22 0.98 0.00 0.00 173.24 175.79 1oxy h TYR 312 N 1.30 0.42 0.00 5.02 3.20 -1.00 -2.69 116.97 123.21 1oxy h TYR 312 Ca -0.42 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.46 1oxy h TYR 312 Cb 1.28 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1oxy h TYR 312 CO 0.91 0.27 0.00 0.39 -1.64 0.00 0.00 178.16 178.09 1oxy n GLU 313 N -4.48 0.83 -1.90 1.82 1.02 -1.26 -4.89 120.64 111.78 1oxy n GLU 313 Ca 0.02 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.74 1oxy n GLU 313 Cb 0.07 -1.06 -0.02 0.00 -0.02 0.00 0.00 31.44 30.41 1oxy n GLU 313 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1oxy s SER 314 N -1.27 6.52 0.55 1.62 0.15 -1.02 -4.85 113.70 115.41 1oxy s SER 314 Ca 0.05 2.77 0.32 0.00 0.70 0.00 0.00 55.95 59.79 1oxy s SER 314 Cb 0.02 -2.62 1.61 0.00 -1.71 0.00 0.00 66.02 63.32 1oxy s SER 314 CO 0.04 -0.81 2.11 -0.37 1.20 0.00 0.00 173.24 175.40 1oxy h VAL 315 N 3.58 0.36 -0.95 4.45 -1.51 -1.90 -3.39 116.25 116.90 1oxy h VAL 315 Ca -0.46 -0.44 -0.00 0.00 -1.23 0.00 0.00 66.70 64.57 1oxy h VAL 315 Cb 1.22 1.32 -0.20 0.00 -2.13 0.00 0.00 31.29 31.49 1oxy h VAL 315 CO 0.82 0.08 -0.39 0.21 -1.23 0.00 0.00 177.57 177.05 1oxy s ASN 316 N -5.90 -1.50 0.11 4.19 3.04 -1.26 -2.47 114.94 111.15 1oxy s ASN 316 Ca -0.02 -0.30 -0.12 0.00 0.04 0.00 0.00 52.86 52.45 1oxy s ASN 316 Cb 0.12 1.92 -0.15 0.00 -1.54 0.00 0.00 41.25 41.61 1oxy s ASN 316 CO 0.55 -0.22 1.30 -0.74 -3.04 0.00 0.00 177.10 174.95 1oxy h HIS 317 N 7.39 1.03 0.00 0.43 -0.00 -1.87 -1.87 115.15 120.25 1oxy h HIS 317 Ca 0.02 -0.47 -0.02 0.00 -0.00 0.00 0.00 60.37 59.90 1oxy h HIS 317 Cb 1.19 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 28.44 1oxy h HIS 317 CO 0.18 1.30 -0.10 0.93 -0.00 0.00 0.00 177.93 180.24 1oxy h GLU 318 N 0.50 0.00 0.00 5.26 4.39 -1.96 0.28 114.58 123.05 1oxy h GLU 318 Ca -0.06 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.34 1oxy h GLU 318 Cb 1.44 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.05 1oxy h GLU 318 CO 0.16 0.10 -1.82 0.98 -1.16 0.00 0.00 179.01 177.27 1oxy n TYR 319 N -3.86 0.34 0.61 4.33 9.36 -1.22 -4.63 117.16 122.09 1oxy n TYR 319 Ca -0.02 0.15 0.13 0.00 3.32 0.00 0.00 57.90 61.47 1oxy n TYR 319 Cb 0.19 -0.93 0.29 0.00 -0.63 0.00 0.00 39.34 38.26 1oxy n TYR 319 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1oxy n TYR 320 N -4.36 0.72 -3.78 2.98 4.01 -0.71 -4.83 117.16 111.20 1oxy n TYR 320 Ca -0.39 0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1oxy n TYR 320 Cb 0.73 -0.79 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 1oxy n TYR 320 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1oxy n GLY 321 N 1.33 0.82 2.51 2.72 0.00 0.09 -4.46 105.19 108.19 1oxy n GLY 321 Ca 0.04 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 1oxy n GLY 321 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1oxy n ASN 322 N 3.77 -1.17 0.26 1.61 5.15 -1.26 -4.76 115.26 118.85 1oxy n ASN 322 Ca 0.00 -3.35 -0.13 0.00 -0.60 0.00 0.00 54.58 50.50 1oxy n ASN 322 Cb 0.00 0.88 -0.06 0.00 -0.53 0.00 0.00 39.78 40.07 1oxy n ASN 322 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1oxy h LEU 323 N 3.20 -0.84 -0.41 1.20 5.85 -1.75 -0.85 115.31 121.71 1oxy h LEU 323 Ca -0.03 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.83 1oxy h LEU 323 Cb 1.03 0.25 -0.08 0.00 0.37 0.00 0.00 40.66 42.24 1oxy h LEU 323 CO 0.30 -0.48 -0.10 -0.74 -0.34 0.00 0.00 178.44 177.08 1oxy h HIS 324 N -0.76 -0.21 0.00 1.25 2.76 -1.52 -1.86 115.15 114.81 1oxy h HIS 324 Ca -0.06 0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.06 1oxy h HIS 324 Cb 0.62 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 1oxy h HIS 324 CO -0.07 -0.17 -0.41 -0.91 -1.30 0.00 0.00 177.93 175.06 1oxy h ASN 325 N 0.00 0.00 1.41 3.26 2.35 -1.56 -2.80 115.58 118.24 1oxy h ASN 325 Ca 0.20 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.89 1oxy h ASN 325 Cb 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1oxy h ASN 325 CO -0.42 0.41 -0.28 -0.50 -1.65 0.00 0.00 177.43 174.99 1oxy h TRP 326 N 0.00 0.00 -0.32 1.19 -0.00 -0.37 -3.07 115.95 113.37 1oxy h TRP 326 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.78 1oxy h TRP 326 Cb 0.82 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.98 1oxy h TRP 326 CO 0.00 0.28 -0.22 0.78 -0.00 0.00 0.00 178.44 179.28 1oxy h GLY 327 N 3.10 0.78 0.63 1.49 0.00 -1.13 -0.93 103.07 107.02 1oxy h GLY 327 Ca -0.00 -0.75 0.07 0.00 0.00 0.00 0.00 47.33 46.65 1oxy h GLY 327 CO 0.04 0.68 0.42 0.45 0.00 0.00 0.00 176.54 178.12 1oxy h HIS 328 N 0.49 0.77 -0.14 5.60 3.86 -1.53 -1.02 115.15 123.18 1oxy h HIS 328 Ca 0.06 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 1oxy h HIS 328 Cb 0.77 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 1oxy h HIS 328 CO 0.06 0.35 -0.19 0.28 0.86 0.00 0.00 177.93 179.30 1oxy h VAL 329 N 0.75 1.36 0.00 2.45 2.07 -1.42 -0.38 116.25 121.09 1oxy h VAL 329 Ca 0.34 -1.41 -0.09 0.00 0.82 0.00 0.00 66.70 66.36 1oxy h VAL 329 Cb 0.24 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1oxy h VAL 329 CO -0.20 0.41 -0.43 0.71 0.02 0.00 0.00 177.57 178.08 1oxy h THR 330 N -0.02 1.00 0.15 2.57 1.35 -1.08 -1.86 112.91 115.03 1oxy h THR 330 Ca 0.02 -1.65 -0.29 0.00 -0.55 0.00 0.00 66.41 63.94 1oxy h THR 330 Cb 0.75 1.97 0.01 0.00 -1.73 0.00 0.00 68.15 69.15 1oxy h THR 330 CO 0.04 0.42 -1.29 0.24 -0.25 0.00 0.00 175.52 174.68 1oxy h MET 331 N 0.00 0.31 -0.18 4.72 2.86 -1.19 -2.72 114.93 118.72 1oxy h MET 331 Ca -0.00 -0.53 -0.10 0.00 -2.06 0.00 0.00 59.70 57.01 1oxy h MET 331 Cb 0.94 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 1oxy h MET 331 CO 0.06 1.25 -0.31 0.00 1.06 0.00 0.00 176.91 178.96 1oxy h ALA 332 N 0.52 1.13 -0.45 6.32 0.00 -0.87 -3.09 119.26 122.82 1oxy h ALA 332 Ca -0.16 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 1oxy h ALA 332 Cb 2.00 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.61 1oxy h ALA 332 CO 0.21 0.55 0.08 0.54 0.00 0.00 0.00 179.25 180.64 1oxy n ARG 333 N -4.09 2.80 0.30 0.00 5.12 -0.72 -0.42 116.66 119.65 1oxy n ARG 333 Ca -0.01 -3.02 0.15 0.00 -1.93 0.00 0.00 57.85 53.05 1oxy n ARG 333 Cb 0.43 -1.95 0.92 0.00 -1.16 0.00 0.00 32.46 30.69 1oxy n ARG 333 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 1oxy h ILE 334 N 1.77 0.48 0.00 0.55 2.10 -1.39 -1.41 117.51 119.61 1oxy h ILE 334 Ca 0.16 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 66.01 1oxy h ILE 334 Cb 1.81 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 38.60 1oxy h ILE 334 CO 0.45 0.02 -0.08 0.00 -1.08 0.00 0.00 178.15 177.46 1oxy n HIS 335 N -3.74 0.42 -2.88 2.19 1.44 -1.26 -4.25 115.22 107.14 1oxy n HIS 335 Ca -0.03 0.12 -0.12 0.00 -2.01 0.00 0.00 57.72 55.68 1oxy n HIS 335 Cb 0.11 -0.67 0.04 0.00 0.12 0.00 0.00 29.99 29.58 1oxy n HIS 335 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1oxy n ASP 336 N -1.85 -1.57 -0.26 4.39 2.03 -0.57 -5.00 116.55 113.71 1oxy n ASP 336 Ca 0.06 -3.35 0.18 0.00 0.52 0.00 0.00 54.79 52.20 1oxy n ASP 336 Cb 0.38 1.10 0.48 0.00 -0.72 0.00 0.00 41.12 42.37 1oxy n ASP 336 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1oxy h PRO 337 N 3.38 0.46 -0.25 -0.67 0.11 -1.63 -2.60 132.00 130.79 1oxy h PRO 337 Ca -0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1oxy h PRO 337 Cb 1.03 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1oxy h PRO 337 CO 0.29 0.30 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 1oxy n ASP 338 N -4.55 2.92 0.00 -2.05 5.68 -1.26 -3.86 116.55 113.43 1oxy n ASP 338 Ca 0.20 -2.24 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 1oxy n ASP 338 Cb 0.68 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1oxy n ASP 338 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1oxy n GLY 339 N 0.06 2.63 0.36 6.12 0.00 -0.98 -4.91 105.19 108.46 1oxy n GLY 339 Ca 0.12 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.31 1oxy n GLY 339 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1oxy h ARG 340 N 2.14 0.00 -0.01 1.61 0.11 -1.95 0.10 114.38 116.38 1oxy h ARG 340 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1oxy h ARG 340 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1oxy h ARG 340 CO 0.00 0.00 -0.44 1.19 0.10 0.00 0.00 179.97 180.82 1oxy n PHE 341 N -3.31 0.00 -4.15 4.08 3.72 -1.26 -4.97 117.46 111.57 1oxy n PHE 341 Ca 0.02 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.08 1oxy n PHE 341 Cb 0.45 -0.09 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 1oxy n PHE 341 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1oxy n HIS 342 N -0.65 -1.81 -3.63 1.38 8.25 0.35 -4.97 115.22 114.13 1oxy n HIS 342 Ca 0.09 0.81 -0.35 0.00 -0.26 0.00 0.00 57.72 58.01 1oxy n HIS 342 Cb 0.38 -3.18 -0.05 0.00 1.12 0.00 0.00 29.99 28.26 1oxy n HIS 342 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1oxy s GLU 343 N -6.85 3.71 0.75 -0.41 0.41 -1.26 -5.09 118.70 109.96 1oxy s GLU 343 Ca 0.65 0.12 -0.11 0.00 -0.41 0.00 0.00 54.97 55.22 1oxy s GLU 343 Cb -0.35 -3.06 0.04 0.00 -1.78 0.00 0.00 34.13 28.98 1oxy s GLU 343 CO 0.91 0.61 1.08 -1.21 -0.49 0.00 0.00 175.26 176.16 1oxy s GLU 344 N -1.72 2.48 1.08 1.61 0.41 -1.26 -4.97 118.70 116.33 1oxy s GLU 344 Ca 0.29 1.04 -0.12 0.00 -0.41 0.00 0.00 54.97 55.77 1oxy s GLU 344 Cb -0.14 -1.93 0.24 0.00 -1.78 0.00 0.00 34.13 30.52 1oxy s GLU 344 CO 0.16 -1.45 1.06 -1.25 -0.49 0.00 0.00 175.26 173.29 1oxy s PRO 345 N -4.98 -0.28 0.86 0.39 0.04 -1.26 -4.01 135.00 125.75 1oxy s PRO 345 Ca 0.60 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 1oxy s PRO 345 Cb -0.16 -1.63 0.19 0.00 0.04 0.00 0.00 34.50 32.95 1oxy s PRO 345 CO 0.56 -3.30 1.17 0.41 0.04 0.00 0.00 177.00 175.87 1oxy n GLY 346 N 0.23 -0.87 0.25 0.56 0.00 0.44 -2.22 105.19 103.59 1oxy n GLY 346 Ca 0.05 -1.80 0.17 0.00 0.00 0.00 0.00 46.02 44.44 1oxy n GLY 346 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1oxy h VAL 347 N -1.40 0.00 0.00 1.61 3.04 -1.89 -2.17 116.25 115.45 1oxy h VAL 347 Ca -0.38 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 1oxy h VAL 347 Cb 1.13 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1oxy h VAL 347 CO 0.30 0.00 0.00 0.24 -1.01 0.00 0.00 177.57 177.10 1oxy h MET 348 N 0.00 0.00 -0.00 4.17 2.86 -1.86 -2.04 114.93 118.06 1oxy h MET 348 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1oxy h MET 348 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1oxy h MET 348 CO 0.00 0.00 -0.03 -1.13 1.06 0.00 0.00 176.91 176.81 1oxy n SER 349 N -2.72 0.23 -4.16 1.22 3.41 -0.82 -4.77 113.62 106.02 1oxy n SER 349 Ca 0.02 -0.65 -0.25 0.00 -0.26 0.00 0.00 58.87 57.73 1oxy n SER 349 Cb 0.30 -0.11 -0.15 0.00 -0.26 0.00 0.00 64.21 63.99 1oxy n SER 349 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1oxy s ASP 350 N -2.31 2.04 0.28 4.04 -1.08 -1.15 -1.18 116.67 117.31 1oxy s ASP 350 Ca 0.36 -0.32 0.26 0.00 -0.52 0.00 0.00 52.55 52.33 1oxy s ASP 350 Cb 0.21 -0.26 0.89 0.00 -1.46 0.00 0.00 42.92 42.30 1oxy s ASP 350 CO 0.43 0.21 1.76 0.71 0.52 0.00 0.00 175.17 178.79 1oxy h THR 351 N 4.77 0.00 0.00 1.71 1.35 -1.88 -0.80 112.91 118.05 1oxy h THR 351 Ca -0.36 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1oxy h THR 351 Cb 1.15 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1oxy h THR 351 CO 0.48 0.00 -0.23 -1.20 -0.25 0.00 0.00 175.52 174.32 1oxy n SER 352 N -2.41 0.36 0.00 5.36 7.64 -1.26 -3.70 113.62 119.61 1oxy n SER 352 Ca 0.04 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1oxy n SER 352 Cb 0.35 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1oxy n SER 352 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1oxy n THR 353 N -1.69 0.00 0.27 0.44 -2.24 -1.11 -4.72 114.28 105.23 1oxy n THR 353 Ca 0.06 -0.16 0.13 0.00 -2.27 0.00 0.00 64.05 61.81 1oxy n THR 353 Cb 0.36 0.84 0.76 0.00 -2.10 0.00 0.00 70.33 70.19 1oxy n THR 353 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1oxy h SER 354 N 0.00 0.00 0.91 3.42 4.64 -0.39 -2.38 113.55 119.74 1oxy h SER 354 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1oxy h SER 354 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1oxy h SER 354 CO 0.00 0.10 0.00 -0.07 -0.87 0.00 0.00 176.83 175.99 1oxy h LEU 355 N 0.00 0.00 -1.25 5.97 3.38 -1.85 -2.89 115.31 118.67 1oxy h LEU 355 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1oxy h LEU 355 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1oxy h LEU 355 CO 0.01 0.00 -0.36 0.03 0.09 0.00 0.00 178.44 178.21 1oxy h ARG 356 N 0.00 0.00 -5.90 1.13 3.08 -1.39 -3.43 114.38 107.87 1oxy h ARG 356 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1oxy h ARG 356 Cb 0.46 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 1oxy h ARG 356 CO 0.00 0.36 0.35 0.34 -1.07 0.00 0.00 179.97 179.96 1oxy s ASP 357 N -6.79 6.91 0.53 7.04 -1.08 -1.09 -4.78 116.67 117.41 1oxy s ASP 357 Ca -0.02 1.12 0.28 0.00 -0.52 0.00 0.00 52.55 53.41 1oxy s ASP 357 Cb 0.14 -2.44 1.43 0.00 -1.46 0.00 0.00 42.92 40.59 1oxy s ASP 357 CO 0.71 -0.38 1.93 -0.65 0.52 0.00 0.00 175.17 177.29 1oxy h PRO 358 N 7.36 0.02 0.00 4.34 0.11 -1.88 -1.37 132.00 140.59 1oxy h PRO 358 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1oxy h PRO 358 Cb 1.13 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1oxy h PRO 358 CO 0.83 0.01 0.00 0.44 -0.21 0.00 0.00 178.00 179.07 1oxy n ILE 359 N -4.32 0.49 -0.24 4.15 -6.64 -1.26 -2.53 119.36 109.00 1oxy n ILE 359 Ca 0.15 0.12 -0.05 0.00 -1.77 0.00 0.00 62.75 61.20 1oxy n ILE 359 Cb 0.81 -0.75 0.05 0.00 -1.44 0.00 0.00 39.64 38.32 1oxy n ILE 359 CO 0.00 0.00 0.00 0.15 -1.77 0.00 0.00 176.55 174.93 1oxy h PHE 360 N 0.00 0.86 0.00 4.28 3.04 -1.50 -0.84 116.94 122.78 1oxy h PHE 360 Ca 0.00 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.84 1oxy h PHE 360 Cb 0.36 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.56 1oxy h PHE 360 CO 0.00 0.54 -0.63 1.88 -2.02 0.00 0.00 178.31 178.07 1oxy h TYR 361 N 0.92 0.00 -0.07 0.41 0.05 -1.67 -0.81 116.97 115.81 1oxy h TYR 361 Ca 0.25 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.01 1oxy h TYR 361 Cb -0.10 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.64 1oxy h TYR 361 CO -0.03 0.63 -0.06 -0.91 -1.05 0.00 0.00 178.16 176.75 1oxy h ASN 362 N 0.00 0.16 -0.62 3.88 2.35 -1.55 -1.18 115.58 118.63 1oxy h ASN 362 Ca -0.01 -0.47 -0.03 0.00 -0.55 0.00 0.00 56.30 55.25 1oxy h ASN 362 Cb 1.16 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.45 1oxy h ASN 362 CO 0.08 0.60 0.29 -0.25 -1.65 0.00 0.00 177.43 176.50 1oxy h TRP 363 N -0.27 0.90 0.00 1.19 -0.00 -1.14 -1.58 115.95 115.05 1oxy h TRP 363 Ca 0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.85 1oxy h TRP 363 Cb 0.55 -0.28 0.00 0.00 -0.00 0.00 0.00 29.16 29.43 1oxy h TRP 363 CO 0.09 0.69 0.00 0.45 -0.00 0.00 0.00 178.44 179.67 1oxy h HIS 364 N 0.85 0.00 0.05 2.65 3.86 -1.12 -1.40 115.15 120.05 1oxy h HIS 364 Ca 0.21 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.17 1oxy h HIS 364 Cb 0.14 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1oxy h HIS 364 CO 0.00 0.00 -1.21 -0.09 0.86 0.00 0.00 177.93 177.49 1oxy h ARG 365 N 0.00 0.11 -0.32 2.45 9.65 -0.98 -0.33 114.38 124.96 1oxy h ARG 365 Ca 0.00 -0.19 -0.02 0.00 -1.10 0.00 0.00 59.98 58.66 1oxy h ARG 365 Cb 0.79 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.43 1oxy h ARG 365 CO 0.00 1.03 0.11 0.35 2.80 0.00 0.00 179.97 184.26 1oxy h PHE 366 N 0.03 0.50 -0.29 2.20 3.57 -0.89 -1.70 116.94 120.37 1oxy h PHE 366 Ca -0.10 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.24 1oxy h PHE 366 Cb 1.89 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.47 1oxy h PHE 366 CO 0.03 0.50 -0.27 0.82 -2.23 0.00 0.00 178.31 177.16 1oxy h ILE 367 N 0.36 1.27 0.00 1.41 1.08 -1.24 -2.66 117.51 117.73 1oxy h ILE 367 Ca 0.10 -1.34 -0.07 0.00 -0.39 0.00 0.00 64.86 63.17 1oxy h ILE 367 Cb 0.23 1.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1oxy h ILE 367 CO -0.00 0.43 -0.32 -0.78 -0.69 0.00 0.00 178.15 176.79 1oxy h ASP 368 N 0.51 0.00 0.25 1.72 3.58 -0.88 -1.84 116.42 119.76 1oxy h ASP 368 Ca 0.07 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 1oxy h ASP 368 Cb 0.73 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 1oxy h ASP 368 CO 0.06 0.32 -0.32 0.78 -2.88 0.00 0.00 179.24 177.20 1oxy h ASN 369 N 0.00 0.11 -0.18 2.28 2.35 -0.95 0.11 115.58 119.31 1oxy h ASN 369 Ca -0.00 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1oxy h ASN 369 Cb 0.57 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1oxy h ASN 369 CO 0.04 0.43 0.06 0.40 -1.65 0.00 0.00 177.43 176.70 1oxy h ILE 370 N 0.10 1.18 -0.31 2.81 2.04 -1.27 0.30 117.51 122.36 1oxy h ILE 370 Ca 0.01 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.24 1oxy h ILE 370 Cb 0.62 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1oxy h ILE 370 CO 0.04 0.18 -0.08 -0.26 0.00 0.00 0.00 178.15 178.03 1oxy h PHE 371 N 0.11 0.54 -0.14 1.37 0.04 -1.48 -2.31 116.94 115.06 1oxy h PHE 371 Ca 0.06 -0.07 -0.15 0.00 2.80 0.00 0.00 57.97 60.60 1oxy h PHE 371 Cb 0.22 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1oxy h PHE 371 CO -0.00 0.58 -0.56 1.25 -0.60 0.00 0.00 178.31 178.98 1oxy h HIS 372 N 0.48 0.54 -0.32 -0.55 2.76 -0.81 -1.31 115.15 115.93 1oxy h HIS 372 Ca 0.09 -0.19 -0.09 0.00 -2.20 0.00 0.00 60.37 57.98 1oxy h HIS 372 Cb 0.43 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 1oxy h HIS 372 CO 0.01 0.89 -0.19 1.49 -1.30 0.00 0.00 177.93 178.83 1oxy h GLU 373 N 0.33 0.59 -0.10 5.26 4.57 -0.41 -2.30 114.58 122.52 1oxy h GLU 373 Ca 0.00 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 57.92 1oxy h GLU 373 Cb 1.08 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1oxy h GLU 373 CO 0.10 0.75 -0.17 -0.92 -1.18 0.00 0.00 179.01 177.59 1oxy h TYR 374 N 0.53 0.35 -0.01 0.92 3.20 -1.06 -3.21 116.97 117.69 1oxy h TYR 374 Ca 0.09 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1oxy h TYR 374 Cb 0.62 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 1oxy h TYR 374 CO 0.02 0.77 0.01 0.87 -1.64 0.00 0.00 178.16 178.20 1oxy h LYS 375 N -0.16 0.00 0.00 1.82 1.79 -1.16 -1.39 116.57 117.46 1oxy h LYS 375 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1oxy h LYS 375 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1oxy h LYS 375 CO 0.04 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.50 1oxy n ASN 376 N -4.13 0.49 -0.05 0.86 5.03 -0.88 -1.96 115.26 114.62 1oxy n ASN 376 Ca -0.03 0.59 0.13 0.00 0.87 0.00 0.00 54.58 56.14 1oxy n ASN 376 Cb 0.10 -0.70 0.39 0.00 -1.02 0.00 0.00 39.78 38.55 1oxy n ASN 376 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1oxy n THR 377 N -2.00 0.00 -3.38 3.41 -2.24 -0.53 -4.81 114.28 104.74 1oxy n THR 377 Ca 0.04 -0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 1oxy n THR 377 Cb 0.29 0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 1oxy n THR 377 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1oxy s LEU 378 N -2.85 4.24 0.12 3.22 1.43 -0.83 -5.06 118.68 118.95 1oxy s LEU 378 Ca 0.16 1.01 -0.27 0.00 -1.03 0.00 0.00 54.13 54.00 1oxy s LEU 378 Cb 0.18 -3.52 -0.07 0.00 0.03 0.00 0.00 46.19 42.82 1oxy s LEU 378 CO 0.61 -0.00 0.82 -1.59 0.23 0.00 0.00 176.35 176.42 1oxy s LYS 379 N -2.45 4.59 0.36 1.70 0.00 -1.26 -4.49 119.74 118.19 1oxy s LYS 379 Ca 0.43 1.21 -0.28 0.00 0.00 0.00 0.00 55.97 57.34 1oxy s LYS 379 Cb -0.13 -3.33 -0.12 0.00 0.00 0.00 0.00 37.83 34.26 1oxy s LYS 379 CO 0.20 0.39 1.37 -2.30 0.00 0.00 0.00 175.35 175.00 1oxy n PRO 380 N 2.29 2.33 -1.71 1.78 -0.02 -1.26 -4.88 135.00 133.53 1oxy n PRO 380 Ca -0.02 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 1oxy n PRO 380 Cb 0.49 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 1oxy n PRO 380 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1oxy n TYR 381 N 0.34 2.43 -2.62 6.00 4.01 -1.26 -5.00 117.16 121.05 1oxy n TYR 381 Ca 0.03 0.53 -0.28 0.00 -0.16 0.00 0.00 57.90 58.02 1oxy n TYR 381 Cb 0.37 -2.44 -0.00 0.00 -0.31 0.00 0.00 39.34 36.96 1oxy n TYR 381 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1oxy s ASP 382 N -0.25 6.29 0.36 7.72 1.01 -1.26 -4.96 116.67 125.57 1oxy s ASP 382 Ca 0.55 0.97 0.12 0.00 0.71 0.00 0.00 52.55 54.90 1oxy s ASP 382 Cb -0.55 -2.27 0.91 0.00 1.01 0.00 0.00 42.92 42.02 1oxy s ASP 382 CO 0.62 -0.58 1.81 -0.74 0.21 0.00 0.00 175.17 176.49 1oxy h HIS 383 N 0.30 0.82 -0.84 4.23 6.17 -1.99 -0.82 115.15 123.01 1oxy h HIS 383 Ca -0.47 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 60.62 1oxy h HIS 383 Cb 1.20 -0.25 -0.04 0.00 2.52 0.00 0.00 27.41 30.84 1oxy h HIS 383 CO 0.59 0.19 0.45 -0.44 0.71 0.00 0.00 177.93 179.43 1oxy h ASP 384 N 0.59 1.06 1.79 3.26 5.19 -1.92 0.10 116.42 126.50 1oxy h ASP 384 Ca 0.54 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.81 1oxy h ASP 384 Cb 1.07 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 40.30 1oxy h ASP 384 CO -0.29 0.87 -0.14 0.58 -3.12 0.00 0.00 179.24 177.14 1oxy h VAL 385 N 1.18 0.25 0.08 -1.35 2.07 -1.53 -3.33 116.25 113.62 1oxy h VAL 385 Ca 0.30 -1.31 -0.32 0.00 0.82 0.00 0.00 66.70 66.18 1oxy h VAL 385 Cb 0.05 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1oxy h VAL 385 CO -0.05 0.14 -1.78 0.18 0.02 0.00 0.00 177.57 176.09 1oxy n LEU 386 N -3.14 2.38 -4.75 2.57 4.77 -1.04 -4.96 117.00 112.82 1oxy n LEU 386 Ca 0.03 0.28 -0.41 0.00 -0.03 0.00 0.00 56.01 55.88 1oxy n LEU 386 Cb 0.57 -1.07 -0.02 0.00 -2.33 0.00 0.00 43.42 40.57 1oxy n LEU 386 CO 0.35 0.67 1.03 0.21 -1.33 0.00 0.00 177.39 178.32 1oxy s ASN 387 N -6.99 6.75 -0.35 -1.43 3.04 0.35 -4.87 114.94 111.44 1oxy s ASN 387 Ca -0.25 2.62 0.02 0.00 0.04 0.00 0.00 52.86 55.30 1oxy s ASN 387 Cb 0.07 -2.63 0.10 0.00 -1.54 0.00 0.00 41.25 37.25 1oxy s ASN 387 CO 0.71 -0.60 0.09 0.12 -3.04 0.00 0.00 177.10 174.38 1oxy s PHE 388 N -0.46 2.95 0.12 0.43 5.36 -1.26 -4.89 117.98 120.22 1oxy s PHE 388 Ca 0.54 -2.57 -0.14 0.00 -0.96 0.00 0.00 56.93 53.81 1oxy s PHE 388 Cb -0.40 -2.46 -0.04 0.00 -0.34 0.00 0.00 43.02 39.78 1oxy s PHE 388 CO 0.46 -0.90 1.49 -1.35 -1.46 0.00 0.00 175.22 173.47 1oxy h PRO 389 N 7.64 0.78 -0.01 10.12 0.11 -1.97 -2.51 132.00 146.16 1oxy h PRO 389 Ca -0.07 -0.34 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1oxy h PRO 389 Cb 1.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1oxy h PRO 389 CO 0.51 0.96 -0.02 -0.25 -0.21 0.00 0.00 178.00 179.00 1oxy n ASP 390 N -4.28 1.36 -4.85 -2.05 8.00 -1.26 -4.87 116.55 108.61 1oxy n ASP 390 Ca -0.02 -1.42 -0.37 0.00 0.71 0.00 0.00 54.79 53.69 1oxy n ASP 390 Cb 0.41 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.46 1oxy n ASP 390 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1oxy s ILE 391 N -2.04 5.11 -0.04 0.53 1.09 -0.95 -0.44 121.20 124.47 1oxy s ILE 391 Ca 0.38 0.67 -0.02 0.00 -1.10 0.00 0.00 60.65 60.58 1oxy s ILE 391 Cb 0.21 -3.65 0.03 0.00 -1.06 0.00 0.00 42.46 37.98 1oxy s ILE 391 CO 0.35 0.53 0.06 -1.58 -0.10 0.00 0.00 174.94 174.20 1oxy s GLN 392 N -1.23 -0.07 -0.20 2.79 2.00 -0.49 -4.18 119.66 118.29 1oxy s GLN 392 Ca 0.24 0.35 -0.19 0.00 -2.00 0.00 0.00 55.36 53.76 1oxy s GLN 392 Cb -0.16 -0.47 -0.03 0.00 0.80 0.00 0.00 33.01 33.16 1oxy s GLN 392 CO 0.13 -0.30 0.56 0.08 -0.50 0.00 0.00 175.29 175.26 1oxy s VAL 393 N 2.00 5.07 -0.15 1.34 1.01 -0.44 -0.62 120.40 128.62 1oxy s VAL 393 Ca 0.03 1.05 0.19 0.00 0.00 0.00 0.00 61.98 63.25 1oxy s VAL 393 Cb -0.12 -3.88 -0.28 0.00 0.00 0.00 0.00 36.38 32.10 1oxy s VAL 393 CO -0.03 0.15 0.20 0.00 0.00 0.00 0.00 175.10 175.42 1oxy n GLN 394 N 4.92 0.68 -3.55 2.72 6.02 0.15 -4.87 117.38 123.46 1oxy n GLN 394 Ca -0.03 -0.07 -0.11 0.00 -0.01 0.00 0.00 57.00 56.77 1oxy n GLN 394 Cb 0.50 -1.52 -0.05 0.00 1.02 0.00 0.00 30.24 30.20 1oxy n GLN 394 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1oxy s ASP 395 N -5.18 -0.43 -0.02 1.08 2.15 -1.13 -4.99 116.67 108.15 1oxy s ASP 395 Ca -0.09 0.37 -0.01 0.00 0.43 0.00 0.00 52.55 53.24 1oxy s ASP 395 Cb 0.09 0.37 0.02 0.00 -0.30 0.00 0.00 42.92 43.09 1oxy s ASP 395 CO 0.86 -0.46 0.05 -0.69 -0.17 0.00 0.00 175.17 174.75 1oxy s VAL 396 N -1.62 -0.03 -0.02 1.11 1.01 -1.26 -0.72 120.40 118.88 1oxy s VAL 396 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1oxy s VAL 396 Cb -0.00 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.31 1oxy s VAL 396 CO 0.01 0.04 -0.00 -0.89 0.00 0.00 0.00 175.10 174.25 1oxy s THR 397 N 0.51 0.14 -0.26 3.92 2.01 -0.59 -4.90 115.64 116.47 1oxy s THR 397 Ca -0.04 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.88 1oxy s THR 397 Cb -0.06 -0.20 -0.05 0.00 0.01 0.00 0.00 72.50 72.21 1oxy s THR 397 CO -0.02 0.10 0.24 -0.22 -0.69 0.00 0.00 174.62 174.04 1oxy s LEU 398 N 0.66 4.06 -0.17 4.42 0.20 -1.26 -1.00 118.68 125.58 1oxy s LEU 398 Ca -0.06 0.13 -0.08 0.00 0.69 0.00 0.00 54.13 54.81 1oxy s LEU 398 Cb -0.09 -2.22 -0.04 0.00 -0.43 0.00 0.00 46.19 43.41 1oxy s LEU 398 CO -0.01 -0.06 0.08 -1.00 -0.29 0.00 0.00 176.35 175.07 1oxy s HIS 399 N 1.63 3.33 -0.36 5.38 3.76 -0.45 -0.61 115.29 127.97 1oxy s HIS 399 Ca 0.10 0.20 -0.02 0.00 -0.15 0.00 0.00 55.06 55.20 1oxy s HIS 399 Cb -0.15 -2.06 0.25 0.00 1.11 0.00 0.00 32.58 31.73 1oxy s HIS 399 CO 0.09 0.29 1.14 0.00 -0.85 0.00 0.00 174.74 175.40 1oxy n ALA 400 N 3.22 -3.20 -0.30 -1.40 0.00 -1.26 -1.83 120.51 115.74 1oxy n ALA 400 Ca -0.17 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1oxy n ALA 400 Cb 0.53 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 17.10 1oxy n ALA 400 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1oxy n ARG 401 N 1.79 0.00 -4.07 0.00 0.63 -1.26 -4.53 116.66 109.22 1oxy n ARG 401 Ca 0.05 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.63 1oxy n ARG 401 Cb 0.68 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.48 1oxy n ARG 401 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1oxy s VAL 402 N 0.00 4.35 0.36 5.15 1.01 -1.26 -5.07 120.40 124.94 1oxy s VAL 402 Ca 0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.52 1oxy s VAL 402 Cb 0.00 -2.97 -0.11 0.00 0.00 0.00 0.00 36.38 33.31 1oxy s VAL 402 CO 0.00 0.44 1.42 -1.81 0.00 0.00 0.00 175.10 175.15 1oxy s ASP 403 N 0.70 6.49 -1.58 3.32 1.01 -1.26 -3.19 116.67 122.16 1oxy s ASP 403 Ca 0.01 2.92 -0.03 0.00 0.71 0.00 0.00 52.55 56.17 1oxy s ASP 403 Cb -0.14 -2.66 0.01 0.00 1.01 0.00 0.00 42.92 41.14 1oxy s ASP 403 CO 0.02 -0.76 0.33 0.59 0.21 0.00 0.00 175.17 175.56 1oxy n ASN 404 N 0.56 -5.69 -3.76 0.27 3.02 0.22 -4.97 115.26 104.91 1oxy n ASN 404 Ca 0.01 -0.16 -0.13 0.00 -0.03 0.00 0.00 54.58 54.27 1oxy n ASN 404 Cb 0.40 -4.67 -0.14 0.00 -0.61 0.00 0.00 39.78 34.76 1oxy n ASN 404 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1oxy s VAL 405 N -3.07 -0.04 -0.09 2.41 1.01 -1.19 -2.08 120.40 117.35 1oxy s VAL 405 Ca 0.18 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1oxy s VAL 405 Cb -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 1oxy s VAL 405 CO 0.22 0.05 -0.16 -0.69 0.00 0.00 0.00 175.10 174.52 1oxy s VAL 406 N 0.97 2.81 -0.11 2.92 1.01 -0.41 -4.63 120.40 122.96 1oxy s VAL 406 Ca -0.07 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1oxy s VAL 406 Cb -0.09 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1oxy s VAL 406 CO -0.05 0.56 -0.05 -1.00 0.00 0.00 0.00 175.10 174.56 1oxy s HIS 407 N -0.10 3.01 0.28 5.22 3.76 -1.26 -0.77 115.29 125.42 1oxy s HIS 407 Ca -0.03 -0.09 0.12 0.00 -0.15 0.00 0.00 55.06 54.91 1oxy s HIS 407 Cb -0.14 -1.82 -0.05 0.00 1.11 0.00 0.00 32.58 31.68 1oxy s HIS 407 CO 0.04 0.20 -0.20 0.95 -0.85 0.00 0.00 174.74 174.88 1oxy s THR 408 N -0.33 2.50 0.16 1.30 -4.23 -0.30 -0.52 115.64 114.22 1oxy s THR 408 Ca 0.05 -2.38 -0.24 0.00 -1.18 0.00 0.00 61.69 57.94 1oxy s THR 408 Cb -0.12 -2.31 0.07 0.00 1.34 0.00 0.00 72.50 71.47 1oxy s THR 408 CO 0.02 -0.39 0.97 0.72 -0.54 0.00 0.00 174.62 175.41 1oxy s PHE 409 N -2.47 -0.09 0.23 3.99 -0.12 -0.67 -1.43 117.98 117.43 1oxy s PHE 409 Ca 0.30 -0.24 -0.04 0.00 -0.05 0.00 0.00 56.93 56.90 1oxy s PHE 409 Cb -0.05 0.65 -0.05 0.00 -0.63 0.00 0.00 43.02 42.94 1oxy s PHE 409 CO 0.15 -0.85 0.48 -1.64 -0.05 0.00 0.00 175.22 173.30 1oxy s MET 410 N -3.08 3.62 -0.11 1.99 -1.94 -1.26 -1.46 119.30 117.05 1oxy s MET 410 Ca 0.14 -0.08 -0.08 0.00 -1.71 0.00 0.00 55.69 53.96 1oxy s MET 410 Cb -0.02 -2.73 0.04 0.00 2.01 0.00 0.00 34.83 34.13 1oxy s MET 410 CO 0.03 0.32 0.28 0.50 -0.01 0.00 0.00 175.02 176.14 1oxy s ARG 411 N -3.26 0.30 0.33 2.03 3.52 0.36 -4.91 118.95 117.31 1oxy s ARG 411 Ca 0.42 0.47 -0.14 0.00 -0.13 0.00 0.00 55.73 56.35 1oxy s ARG 411 Cb -0.11 0.06 -0.09 0.00 -1.56 0.00 0.00 34.95 33.25 1oxy s ARG 411 CO 0.28 -0.09 0.73 -1.83 -0.81 0.00 0.00 175.30 173.59 1oxy s GLU 412 N 0.60 3.98 0.07 5.12 -1.05 -1.26 -0.73 118.70 125.42 1oxy s GLU 412 Ca -0.04 0.64 -0.13 0.00 -0.15 0.00 0.00 54.97 55.30 1oxy s GLU 412 Cb -0.05 -2.43 0.02 0.00 -0.44 0.00 0.00 34.13 31.22 1oxy s GLU 412 CO -0.03 0.14 0.29 -1.14 0.95 0.00 0.00 175.26 175.47 1oxy s GLN 413 N -3.05 0.86 0.39 -4.83 0.74 -0.57 -4.96 119.66 108.23 1oxy s GLN 413 Ca 0.54 -0.66 0.08 0.00 0.05 0.00 0.00 55.36 55.36 1oxy s GLN 413 Cb -0.10 0.37 -0.04 0.00 1.10 0.00 0.00 33.01 34.33 1oxy s GLN 413 CO 0.19 -0.29 0.20 -1.21 -0.55 0.00 0.00 175.29 173.63 1oxy s GLU 414 N -3.11 2.33 -0.03 1.67 2.02 -1.26 -1.70 118.70 118.62 1oxy s GLU 414 Ca -0.01 -1.68 0.00 0.00 0.02 0.00 0.00 54.97 53.30 1oxy s GLU 414 Cb 0.01 -2.12 0.03 0.00 0.10 0.00 0.00 34.13 32.14 1oxy s GLU 414 CO -0.07 -0.05 -0.00 -1.17 0.02 0.00 0.00 175.26 173.99 1oxy s LEU 415 N -3.92 1.19 -0.19 1.80 2.96 -0.33 -4.92 118.68 115.26 1oxy s LEU 415 Ca 0.41 -0.04 -0.24 0.00 -0.22 0.00 0.00 54.13 54.05 1oxy s LEU 415 Cb 0.00 -0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.43 1oxy s LEU 415 CO 0.24 -0.09 0.76 -0.70 -1.32 0.00 0.00 176.35 175.23 1oxy s GLU 416 N 1.00 4.24 0.00 1.98 2.56 -1.26 -1.75 118.70 125.47 1oxy s GLU 416 Ca -0.10 0.86 0.23 0.00 0.00 0.00 0.00 54.97 55.96 1oxy s GLU 416 Cb -0.14 -3.59 0.10 0.00 2.00 0.00 0.00 34.13 32.50 1oxy s GLU 416 CO -0.01 -0.33 1.18 1.28 -0.56 0.00 0.00 175.26 176.81 1oxy n LEU 417 N 5.31 2.47 0.00 2.70 4.32 0.06 -4.67 117.00 127.19 1oxy n LEU 417 Ca 0.03 -0.86 0.09 0.00 -0.02 0.00 0.00 56.01 55.24 1oxy n LEU 417 Cb 0.49 -0.00 0.47 0.00 -1.62 0.00 0.00 43.42 42.76 1oxy n LEU 417 CO 0.46 0.43 0.78 2.29 -1.22 0.00 0.00 177.39 180.14 1oxy n LYS 418 N 0.60 0.27 0.00 3.23 2.85 -1.26 -3.23 118.16 120.62 1oxy n LYS 418 Ca 0.12 0.11 0.07 0.00 -1.05 0.00 0.00 58.31 57.55 1oxy n LYS 418 Cb 0.53 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.33 1oxy n LYS 418 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1oxy n HIS 419 N -1.28 0.00 -0.01 5.58 8.25 -1.26 -4.94 115.22 121.56 1oxy n HIS 419 Ca 0.09 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.56 1oxy n HIS 419 Cb 0.15 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 1oxy n HIS 419 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1oxy n GLY 420 N 1.32 -0.21 0.00 -1.41 0.00 -1.09 -0.70 105.19 103.10 1oxy n GLY 420 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1oxy n GLY 420 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1oxy n SER 428 N -1.78 0.00 0.00 1.61 7.64 -1.25 -4.25 113.62 115.60 1oxy n SER 428 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1oxy n SER 428 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1oxy n SER 428 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1oxy n ILE 429 N 1.37 0.00 -3.77 0.44 5.41 -1.26 -4.16 119.36 117.39 1oxy n ILE 429 Ca 0.00 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.51 1oxy n ILE 429 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 1oxy n ILE 429 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1oxy s LYS 430 N 2.87 3.47 -0.05 0.38 3.01 -1.26 -0.76 119.74 127.40 1oxy s LYS 430 Ca 0.00 -0.55 -0.00 0.00 -1.01 0.00 0.00 55.97 54.41 1oxy s LYS 430 Cb 0.00 -2.83 0.03 0.00 -1.01 0.00 0.00 37.83 34.01 1oxy s LYS 430 CO 0.00 0.37 0.00 0.00 0.51 0.00 0.00 175.35 176.23 1oxy s ALA 431 N -2.01 0.47 0.11 5.17 0.00 -0.72 -4.91 121.76 119.87 1oxy s ALA 431 Ca 0.36 0.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 1oxy s ALA 431 Cb -0.10 -0.51 -0.06 0.00 0.00 0.00 0.00 23.12 22.45 1oxy s ALA 431 CO 0.31 -0.25 0.48 0.15 0.00 0.00 0.00 175.76 176.45 1oxy s LYS 432 N 1.48 3.89 0.23 0.00 1.02 -1.26 -1.18 119.74 123.91 1oxy s LYS 432 Ca -0.03 0.36 -0.04 0.00 0.02 0.00 0.00 55.97 56.27 1oxy s LYS 432 Cb -0.13 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 34.18 1oxy s LYS 432 CO -0.03 0.52 0.26 1.52 -0.92 0.00 0.00 175.35 176.70 1oxy s TYR 433 N -1.42 0.94 0.02 3.18 -0.85 -0.69 -5.01 117.35 113.52 1oxy s TYR 433 Ca 0.35 -1.19 0.06 0.00 -0.52 0.00 0.00 57.07 55.77 1oxy s TYR 433 Cb -0.15 -0.32 -0.02 0.00 0.38 0.00 0.00 41.96 41.85 1oxy s TYR 433 CO 0.18 -0.78 -0.20 0.71 -1.52 0.00 0.00 175.55 173.95 1oxy s TYR 434 N -4.04 1.73 0.13 -3.49 1.51 -1.26 -1.52 117.35 110.41 1oxy s TYR 434 Ca 0.34 -0.35 -0.00 0.00 -1.01 0.00 0.00 57.07 56.05 1oxy s TYR 434 Cb 0.04 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.78 1oxy s TYR 434 CO 0.12 0.03 0.03 -3.38 -1.11 0.00 0.00 175.55 171.24 1oxy s HIS 435 N -0.64 0.90 0.26 2.71 -3.43 0.09 -4.89 115.29 110.29 1oxy s HIS 435 Ca 0.07 -1.15 -0.30 0.00 -0.80 0.00 0.00 55.06 52.88 1oxy s HIS 435 Cb -0.08 -0.52 -0.09 0.00 -1.43 0.00 0.00 32.58 30.46 1oxy s HIS 435 CO 0.01 -0.42 1.03 -1.17 -2.00 0.00 0.00 174.74 172.19 1oxy s LEU 436 N -3.06 4.59 0.06 5.38 1.98 -1.26 -0.49 118.68 125.89 1oxy s LEU 436 Ca 0.21 2.13 -0.07 0.00 -2.89 0.00 0.00 54.13 53.51 1oxy s LEU 436 Cb 0.07 -3.62 -0.01 0.00 0.66 0.00 0.00 46.19 43.29 1oxy s LEU 436 CO 0.00 -0.01 0.13 -0.62 -1.89 0.00 0.00 176.35 173.96 1oxy s ASP 437 N -1.02 0.19 0.31 3.68 -1.08 -0.54 -4.42 116.67 113.80 1oxy s ASP 437 Ca 0.43 -0.65 0.07 0.00 -0.52 0.00 0.00 52.55 51.89 1oxy s ASP 437 Cb -0.29 0.28 -0.06 0.00 -1.46 0.00 0.00 42.92 41.39 1oxy s ASP 437 CO 0.37 -0.63 -0.06 -1.38 0.52 0.00 0.00 175.17 173.99 1oxy s HIS 438 N -3.39 2.12 0.32 -5.34 -3.43 -1.26 -1.66 115.29 102.64 1oxy s HIS 438 Ca 0.02 -0.66 -0.21 0.00 -0.80 0.00 0.00 55.06 53.41 1oxy s HIS 438 Cb 0.03 -1.24 -0.09 0.00 -1.43 0.00 0.00 32.58 29.84 1oxy s HIS 438 CO -0.08 0.36 0.84 -1.83 -2.00 0.00 0.00 174.74 172.03 1oxy s GLU 439 N -3.70 4.30 0.39 -0.38 -1.05 0.32 -4.97 118.70 113.61 1oxy s GLU 439 Ca 0.31 1.02 -0.25 0.00 -0.15 0.00 0.00 54.97 55.90 1oxy s GLU 439 Cb 0.04 -2.62 -0.11 0.00 -0.44 0.00 0.00 34.13 31.00 1oxy s GLU 439 CO 0.14 0.22 1.04 -2.30 0.95 0.00 0.00 175.26 175.31 1oxy n PRO 440 N 0.17 1.43 -4.01 -4.83 -0.02 -1.26 -4.81 135.00 121.66 1oxy n PRO 440 Ca 0.02 0.51 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1oxy n PRO 440 Cb 0.52 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 1oxy n PRO 440 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1oxy s PHE 441 N -1.23 0.60 0.10 6.00 -0.12 -1.26 -4.73 117.98 117.33 1oxy s PHE 441 Ca 0.62 -0.95 -0.06 0.00 -0.05 0.00 0.00 56.93 56.49 1oxy s PHE 441 Cb -0.58 0.16 -0.02 0.00 -0.63 0.00 0.00 43.02 41.95 1oxy s PHE 441 CO 0.58 -1.11 0.14 -1.54 -0.05 0.00 0.00 175.22 173.24 1oxy s SER 442 N -3.10 0.21 -0.00 1.98 1.04 -0.76 -1.00 113.70 112.07 1oxy s SER 442 Ca 0.25 -0.83 0.04 0.00 0.48 0.00 0.00 55.95 55.89 1oxy s SER 442 Cb -0.01 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 1oxy s SER 442 CO 0.13 -0.73 -0.12 -0.31 0.98 0.00 0.00 173.24 173.19 1oxy s TYR 443 N -3.91 2.73 -0.29 5.02 2.02 0.22 -1.34 117.35 121.79 1oxy s TYR 443 Ca 0.10 -0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.68 1oxy s TYR 443 Cb 0.06 -1.57 0.08 0.00 -0.40 0.00 0.00 41.96 40.13 1oxy s TYR 443 CO -0.07 0.28 0.01 0.00 -1.57 0.00 0.00 175.55 174.20 1oxy s ALA 444 N -0.90 2.26 -0.24 3.71 0.00 -0.17 -1.76 121.76 124.66 1oxy s ALA 444 Ca 0.15 -1.87 -0.06 0.00 0.00 0.00 0.00 51.96 50.17 1oxy s ALA 444 Cb -0.11 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 1oxy s ALA 444 CO 0.05 -1.46 0.04 0.08 0.00 0.00 0.00 175.76 174.46 1oxy s VAL 445 N 1.24 4.09 -0.41 0.00 1.01 0.13 -1.54 120.40 124.92 1oxy s VAL 445 Ca 0.03 -0.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 1oxy s VAL 445 Cb -0.19 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1oxy s VAL 445 CO -0.11 0.36 0.54 0.20 0.00 0.00 0.00 175.10 176.10 1oxy s ASN 446 N 1.53 6.28 0.09 3.32 -0.87 0.10 -0.27 114.94 125.12 1oxy s ASN 446 Ca 0.06 -0.36 0.05 0.00 -1.57 0.00 0.00 52.86 51.04 1oxy s ASN 446 Cb -0.15 -2.27 -0.04 0.00 -0.02 0.00 0.00 41.25 38.77 1oxy s ASN 446 CO 0.02 -0.63 -0.01 -0.69 -2.57 0.00 0.00 177.10 173.22 1oxy s VAL 447 N 2.48 3.95 -0.18 1.60 1.01 -0.26 -0.67 120.40 128.32 1oxy s VAL 447 Ca 0.18 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1oxy s VAL 447 Cb -0.15 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.38 1oxy s VAL 447 CO 0.16 0.13 -0.15 -1.58 0.00 0.00 0.00 175.10 173.66 1oxy s GLN 448 N -2.26 2.50 -0.67 2.72 2.00 0.21 -0.93 119.66 123.24 1oxy s GLN 448 Ca 0.25 -0.76 -0.11 0.00 -2.00 0.00 0.00 55.36 52.74 1oxy s GLN 448 Cb -0.12 -2.39 0.17 0.00 0.80 0.00 0.00 33.01 31.48 1oxy s GLN 448 CO 0.17 -0.28 0.57 1.21 -0.50 0.00 0.00 175.29 176.46 1oxy s ASN 449 N 1.37 6.13 0.00 6.67 3.84 0.20 -1.39 114.94 131.76 1oxy s ASN 449 Ca 0.03 -2.44 0.13 0.00 0.21 0.00 0.00 52.86 50.79 1oxy s ASN 449 Cb -0.14 -2.09 0.75 0.00 -0.55 0.00 0.00 41.25 39.22 1oxy s ASN 449 CO -0.11 -0.60 1.23 0.59 -2.79 0.00 0.00 177.10 175.43 1oxy n ASN 450 N 4.24 0.00 -4.89 -4.21 4.13 0.42 -0.53 115.26 114.42 1oxy n ASN 450 Ca 0.04 -0.88 -0.29 0.00 1.68 0.00 0.00 54.58 55.12 1oxy n ASN 450 Cb 0.43 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.73 1oxy n ASN 450 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1oxy s SER 451 N -1.75 5.09 0.00 6.41 0.15 -1.26 -4.98 113.70 117.36 1oxy s SER 451 Ca 0.19 0.97 0.22 0.00 0.70 0.00 0.00 55.95 58.02 1oxy s SER 451 Cb 0.09 -1.66 0.52 0.00 -1.71 0.00 0.00 66.02 63.26 1oxy s SER 451 CO 0.15 -1.54 1.44 0.00 1.20 0.00 0.00 173.24 174.49 1oxy n ALA 452 N -3.10 2.44 -2.12 5.45 0.00 -1.26 -4.53 120.51 117.39 1oxy n ALA 452 Ca 0.07 -0.89 -0.08 0.00 0.00 0.00 0.00 53.44 52.54 1oxy n ALA 452 Cb 0.59 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 1oxy n ALA 452 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1oxy s SER 453 N -1.40 0.58 -0.09 0.00 1.04 -1.26 -4.93 113.70 107.63 1oxy s SER 453 Ca 0.37 -1.04 -0.29 0.00 0.48 0.00 0.00 55.95 55.47 1oxy s SER 453 Cb 0.21 0.20 -0.07 0.00 0.10 0.00 0.00 66.02 66.46 1oxy s SER 453 CO 0.29 -0.60 2.05 -1.81 0.98 0.00 0.00 173.24 174.15 1oxy s ASP 454 N -2.97 6.02 0.44 7.02 1.11 -1.26 -4.53 116.67 122.50 1oxy s ASP 454 Ca 0.11 2.26 0.07 0.00 0.18 0.00 0.00 52.55 55.17 1oxy s ASP 454 Cb 0.07 -2.52 0.01 0.00 1.07 0.00 0.00 42.92 41.56 1oxy s ASP 454 CO -0.07 -1.46 0.61 -0.54 1.18 0.00 0.00 175.17 174.89 1oxy s LYS 455 N 5.29 2.78 -0.08 8.23 -0.14 0.24 -4.94 119.74 131.11 1oxy s LYS 455 Ca 0.92 -1.16 0.00 0.00 -1.36 0.00 0.00 55.97 54.37 1oxy s LYS 455 Cb -0.37 -2.71 0.02 0.00 -1.68 0.00 0.00 37.83 33.09 1oxy s LYS 455 CO 0.38 -0.35 -0.05 -1.01 -0.76 0.00 0.00 175.35 173.56 1oxy s HIS 456 N -2.42 1.05 0.13 3.18 3.76 -1.26 -1.45 115.29 118.27 1oxy s HIS 456 Ca 0.55 -0.41 0.07 0.00 -0.15 0.00 0.00 55.06 55.13 1oxy s HIS 456 Cb -0.10 -0.94 -0.04 0.00 1.11 0.00 0.00 32.58 32.61 1oxy s HIS 456 CO 0.34 -0.35 -0.17 0.00 -0.85 0.00 0.00 174.74 173.71 1oxy s ALA 457 N 1.45 1.74 -0.23 -1.40 0.00 -0.45 -2.18 121.76 120.69 1oxy s ALA 457 Ca -0.02 -1.33 -0.07 0.00 0.00 0.00 0.00 51.96 50.55 1oxy s ALA 457 Cb -0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1oxy s ALA 457 CO -0.04 0.22 0.05 0.99 0.00 0.00 0.00 175.76 176.98 1oxy s THR 458 N -1.80 4.23 -0.19 0.00 2.01 -0.29 -1.03 115.64 118.58 1oxy s THR 458 Ca 0.10 -0.21 -0.15 0.00 0.31 0.00 0.00 61.69 61.74 1oxy s THR 458 Cb -0.07 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 1oxy s THR 458 CO 0.05 0.37 0.35 -0.69 -0.69 0.00 0.00 174.62 174.01 1oxy s VAL 459 N 1.35 5.25 -0.23 3.82 1.01 0.15 -1.53 120.40 130.22 1oxy s VAL 459 Ca 0.05 0.63 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 1oxy s VAL 459 Cb -0.15 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1oxy s VAL 459 CO 0.03 0.31 -0.09 -0.13 0.00 0.00 0.00 175.10 175.21 1oxy s ARG 460 N 0.96 2.89 -0.10 2.72 0.52 0.01 -1.89 118.95 124.06 1oxy s ARG 460 Ca 0.18 -0.93 0.03 0.00 -0.52 0.00 0.00 55.73 54.49 1oxy s ARG 460 Cb -0.14 -2.89 -0.01 0.00 0.52 0.00 0.00 34.95 32.43 1oxy s ARG 460 CO 0.06 -0.34 -0.20 0.42 0.02 0.00 0.00 175.30 175.26 1oxy s ILE 461 N 1.32 2.47 0.13 1.52 1.01 -0.52 -0.82 121.20 126.31 1oxy s ILE 461 Ca 0.01 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.82 1oxy s ILE 461 Cb -0.16 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1oxy s ILE 461 CO -0.06 0.55 -0.10 -0.36 0.00 0.00 0.00 174.94 174.97 1oxy s PHE 462 N 0.24 1.19 -0.03 3.97 0.40 -0.60 -0.82 117.98 122.33 1oxy s PHE 462 Ca -0.13 -0.76 0.02 0.00 -0.60 0.00 0.00 56.93 55.47 1oxy s PHE 462 Cb -0.16 -0.62 0.00 0.00 0.51 0.00 0.00 43.02 42.75 1oxy s PHE 462 CO 0.07 0.04 -0.09 -1.17 0.70 0.00 0.00 175.22 174.77 1oxy s LEU 463 N -3.04 1.77 -0.10 -0.37 2.96 -0.35 -0.85 118.68 118.70 1oxy s LEU 463 Ca 0.14 -0.20 -0.10 0.00 -0.22 0.00 0.00 54.13 53.76 1oxy s LEU 463 Cb 0.02 -0.58 0.03 0.00 0.50 0.00 0.00 46.19 46.16 1oxy s LEU 463 CO -0.00 0.06 0.28 0.00 -1.32 0.00 0.00 176.35 175.37 1oxy s ALA 464 N 0.23 -0.69 0.63 5.97 0.00 -0.62 -1.08 121.76 126.21 1oxy s ALA 464 Ca -0.04 0.76 -0.18 0.00 0.00 0.00 0.00 51.96 52.50 1oxy s ALA 464 Cb -0.09 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1oxy s ALA 464 CO 0.01 -0.14 1.24 -1.25 0.00 0.00 0.00 175.76 175.61 1oxy s PRO 465 N 0.06 2.71 -0.08 0.00 0.04 -1.26 -0.18 135.00 136.29 1oxy s PRO 465 Ca -0.01 1.89 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 1oxy s PRO 465 Cb -0.02 -1.89 -0.26 0.00 0.04 0.00 0.00 34.50 32.37 1oxy s PRO 465 CO 0.01 -1.43 0.52 -0.22 0.04 0.00 0.00 177.00 175.92 1oxy h LYS 466 N 0.59 0.23 -5.50 4.56 3.64 -1.61 -3.43 116.57 115.06 1oxy h LYS 466 Ca -0.50 -0.39 -0.45 0.00 -1.27 0.00 0.00 60.65 58.04 1oxy h LYS 466 Cb 1.31 0.14 -0.14 0.00 -0.41 0.00 0.00 32.23 33.13 1oxy h LYS 466 CO 0.54 1.07 -0.72 0.71 -2.27 0.00 0.00 179.45 178.79 1oxy s TYR 467 N -2.58 1.73 0.73 1.91 2.02 -1.26 -2.44 117.35 117.46 1oxy s TYR 467 Ca -0.17 -0.63 -0.00 0.00 -0.37 0.00 0.00 57.07 55.90 1oxy s TYR 467 Cb 0.07 -0.86 0.13 0.00 -0.40 0.00 0.00 41.96 40.90 1oxy s TYR 467 CO 0.80 0.30 1.00 0.16 -1.57 0.00 0.00 175.55 176.24 1oxy s ASP 468 N -3.34 4.31 0.30 2.29 1.47 -0.13 -4.89 116.67 116.69 1oxy s ASP 468 Ca 0.24 -0.45 0.20 0.00 1.18 0.00 0.00 52.55 53.72 1oxy s ASP 468 Cb 0.01 0.11 1.09 0.00 -0.34 0.00 0.00 42.92 43.78 1oxy s ASP 468 CO 0.08 -1.90 1.61 -1.84 0.68 0.00 0.00 175.17 173.80 1oxy n GLU 469 N -2.84 0.13 -0.71 2.11 0.00 -1.26 -1.65 120.64 116.42 1oxy n GLU 469 Ca 0.16 0.63 0.01 0.00 0.00 0.00 0.00 57.16 57.95 1oxy n GLU 469 Cb 0.61 -1.94 0.26 0.00 0.00 0.00 0.00 31.44 30.37 1oxy n GLU 469 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1oxy n LEU 470 N -2.20 4.59 0.00 -1.84 4.77 -1.26 -4.95 117.00 116.10 1oxy n LEU 470 Ca -0.01 -3.29 0.00 0.00 -0.03 0.00 0.00 56.01 52.68 1oxy n LEU 470 Cb 0.04 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1oxy n LEU 470 CO 0.09 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1oxy n GLY 471 N -0.59 0.52 3.77 -0.72 0.00 -0.66 -5.01 105.19 102.50 1oxy n GLY 471 Ca 0.30 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 1oxy n GLY 471 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1oxy s ASN 472 N -2.48 7.29 0.01 1.61 0.01 -1.26 -4.72 114.94 115.40 1oxy s ASN 472 Ca 0.00 1.97 -0.30 0.00 -0.71 0.00 0.00 52.86 53.81 1oxy s ASN 472 Cb 0.00 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.02 1oxy s ASN 472 CO 0.00 -0.11 1.26 -0.70 -1.51 0.00 0.00 177.10 176.04 1oxy s GLU 473 N -1.85 4.36 -0.30 -0.60 2.12 -1.26 -0.95 118.70 120.22 1oxy s GLU 473 Ca 0.49 1.79 -0.28 0.00 0.36 0.00 0.00 54.97 57.33 1oxy s GLU 473 Cb -0.23 -3.47 0.01 0.00 0.26 0.00 0.00 34.13 30.70 1oxy s GLU 473 CO 0.29 -0.41 1.04 0.42 -0.54 0.00 0.00 175.26 176.06 1oxy s ILE 474 N 1.80 4.58 0.68 -3.70 1.01 -1.02 -4.93 121.20 119.61 1oxy s ILE 474 Ca 0.59 1.76 -0.15 0.00 0.00 0.00 0.00 60.65 62.85 1oxy s ILE 474 Cb -0.28 -4.37 0.01 0.00 0.01 0.00 0.00 42.46 37.83 1oxy s ILE 474 CO 0.26 -0.38 1.14 -0.54 0.00 0.00 0.00 174.94 175.42 1oxy s LYS 475 N 3.48 2.60 0.31 2.79 1.02 -1.26 -4.76 119.74 123.90 1oxy s LYS 475 Ca 0.44 1.53 0.02 0.00 0.02 0.00 0.00 55.97 57.98 1oxy s LYS 475 Cb -0.13 -1.91 0.75 0.00 -0.52 0.00 0.00 37.83 36.02 1oxy s LYS 475 CO 0.13 -1.43 1.58 0.00 -0.92 0.00 0.00 175.35 174.70 1oxy h ALA 476 N -0.03 1.18 -0.12 5.17 0.00 -1.53 -0.95 119.26 122.99 1oxy h ALA 476 Ca -0.47 0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1oxy h ALA 476 Cb 1.26 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1oxy h ALA 476 CO 0.53 -0.57 -0.62 0.22 0.00 0.00 0.00 179.25 178.80 1oxy h ASP 477 N 0.02 0.48 0.13 0.00 3.58 -1.81 -3.01 116.42 115.82 1oxy h ASP 477 Ca 0.59 -0.28 -0.06 0.00 0.42 0.00 0.00 57.03 57.70 1oxy h ASP 477 Cb 1.23 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 1oxy h ASP 477 CO -0.89 0.98 -0.23 -0.33 -2.88 0.00 0.00 179.24 175.90 1oxy h GLU 478 N 0.31 0.18 0.00 0.28 5.08 -1.55 -2.75 114.58 116.12 1oxy h GLU 478 Ca -0.01 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1oxy h GLU 478 Cb 1.17 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1oxy h GLU 478 CO 0.11 0.40 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.30 1oxy h LEU 479 N 0.16 0.00 -1.20 1.33 3.38 -1.27 -2.83 115.31 114.88 1oxy h LEU 479 Ca 0.03 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1oxy h LEU 479 Cb 0.50 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1oxy h LEU 479 CO 0.03 0.16 0.58 0.03 0.09 0.00 0.00 178.44 179.32 1oxy h ARG 480 N 0.00 0.87 0.00 1.13 3.08 -1.52 -1.38 114.38 116.55 1oxy h ARG 480 Ca -0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1oxy h ARG 480 Cb 0.32 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1oxy h ARG 480 CO 0.02 0.57 -0.16 0.00 -1.07 0.00 0.00 179.97 179.33 1oxy h ARG 481 N 0.89 0.00 -0.32 0.04 2.47 -1.67 -3.33 114.38 112.45 1oxy h ARG 481 Ca 0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.13 1oxy h ARG 481 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1oxy h ARG 481 CO -0.17 0.16 0.00 2.41 0.56 0.00 0.00 179.97 182.92 1oxy n THR 482 N -3.14 1.10 -3.08 2.04 -1.04 -0.72 -4.36 114.28 105.08 1oxy n THR 482 Ca 0.03 -1.07 -0.40 0.00 -2.04 0.00 0.00 64.05 60.57 1oxy n THR 482 Cb 0.59 0.44 -0.06 0.00 -1.82 0.00 0.00 70.33 69.49 1oxy n THR 482 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oxy s ALA 483 N -1.15 3.56 -0.14 2.41 0.00 -0.60 -4.54 121.76 121.31 1oxy s ALA 483 Ca 0.24 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.87 1oxy s ALA 483 Cb 0.13 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1oxy s ALA 483 CO 0.14 -0.63 0.09 0.96 0.00 0.00 0.00 175.76 176.32 1oxy s ILE 484 N 2.08 5.04 -0.04 0.00 -4.36 -0.24 -4.89 121.20 118.79 1oxy s ILE 484 Ca 0.29 0.04 -0.30 0.00 -0.26 0.00 0.00 60.65 60.42 1oxy s ILE 484 Cb -0.16 -3.21 -0.04 0.00 1.25 0.00 0.00 42.46 40.30 1oxy s ILE 484 CO 0.10 0.55 1.26 -0.70 0.24 0.00 0.00 174.94 176.39 1oxy s GLU 485 N -0.46 4.33 -0.11 0.37 2.12 -1.26 -1.22 118.70 122.47 1oxy s GLU 485 Ca 0.11 1.75 0.14 0.00 0.36 0.00 0.00 54.97 57.33 1oxy s GLU 485 Cb -0.12 -3.56 -0.21 0.00 0.26 0.00 0.00 34.13 30.50 1oxy s GLU 485 CO 0.02 -0.48 0.14 1.28 -0.54 0.00 0.00 175.26 175.68 1oxy n LEU 486 N 5.25 0.00 -3.54 2.70 4.77 -0.00 -4.92 117.00 121.25 1oxy n LEU 486 Ca 0.12 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.03 1oxy n LEU 486 Cb 0.45 0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.79 1oxy n LEU 486 CO 0.56 0.27 0.81 -0.62 -1.33 0.00 0.00 177.39 177.08 1oxy s ASP 487 N -4.59 -0.27 -0.28 -1.43 -1.08 -1.04 -4.43 116.67 103.55 1oxy s ASP 487 Ca -0.07 -0.01 -0.09 0.00 -0.52 0.00 0.00 52.55 51.86 1oxy s ASP 487 Cb 0.06 0.29 0.13 0.00 -1.46 0.00 0.00 42.92 41.94 1oxy s ASP 487 CO 0.64 -0.48 0.60 -0.75 0.52 0.00 0.00 175.17 175.71 1oxy s LYS 488 N -2.85 0.53 0.04 4.34 2.20 -1.25 -1.44 119.74 121.31 1oxy s LYS 488 Ca 0.07 1.35 -0.24 0.00 -0.36 0.00 0.00 55.97 56.79 1oxy s LYS 488 Cb -0.01 0.75 0.06 0.00 -1.51 0.00 0.00 37.83 37.11 1oxy s LYS 488 CO -0.07 -0.23 0.55 -0.59 -0.36 0.00 0.00 175.35 174.65 1oxy s PHE 489 N 2.84 -0.47 0.14 4.03 -0.71 -0.79 -4.65 117.98 118.36 1oxy s PHE 489 Ca -0.04 0.56 -0.24 0.00 -1.04 0.00 0.00 56.93 56.17 1oxy s PHE 489 Cb -0.12 0.37 -0.08 0.00 -1.21 0.00 0.00 43.02 41.99 1oxy s PHE 489 CO -0.18 -0.66 0.73 0.21 -1.34 0.00 0.00 175.22 173.98 1oxy s LYS 490 N -2.38 4.49 0.02 1.99 2.20 -1.26 -0.67 119.74 124.12 1oxy s LYS 490 Ca -0.06 1.06 -0.03 0.00 -0.36 0.00 0.00 55.97 56.58 1oxy s LYS 490 Cb -0.01 -3.26 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1oxy s LYS 490 CO -0.01 0.58 0.04 -0.08 -0.36 0.00 0.00 175.35 175.52 1oxy s THR 491 N -1.10 0.11 -0.21 3.43 -1.32 -0.19 -4.96 115.64 111.40 1oxy s THR 491 Ca 0.34 -0.95 -0.06 0.00 -1.21 0.00 0.00 61.69 59.82 1oxy s THR 491 Cb -0.22 -0.53 -0.03 0.00 -1.51 0.00 0.00 72.50 70.21 1oxy s THR 491 CO 0.25 -0.52 0.02 -1.81 -2.21 0.00 0.00 174.62 170.35 1oxy s ASP 492 N -1.68 4.95 -0.25 8.08 1.01 -1.26 -1.35 116.67 126.17 1oxy s ASP 492 Ca -0.12 -0.19 -0.08 0.00 0.71 0.00 0.00 52.55 52.87 1oxy s ASP 492 Cb -0.06 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 41.97 1oxy s ASP 492 CO -0.02 0.04 0.09 -0.76 0.21 0.00 0.00 175.17 174.74 1oxy s LEU 493 N 1.15 3.60 0.39 1.23 1.02 -0.53 -5.00 118.68 120.54 1oxy s LEU 493 Ca 0.03 -0.14 -0.00 0.00 0.02 0.00 0.00 54.13 54.04 1oxy s LEU 493 Cb -0.14 -1.97 -0.03 0.00 0.02 0.00 0.00 46.19 44.07 1oxy s LEU 493 CO 0.02 -0.01 0.61 -1.00 0.02 0.00 0.00 176.35 175.99 1oxy s HIS 494 N 1.51 3.46 0.64 0.29 3.76 -1.26 -0.59 115.29 123.08 1oxy s HIS 494 Ca 0.06 0.40 -0.18 0.00 -0.15 0.00 0.00 55.06 55.19 1oxy s HIS 494 Cb -0.15 -2.04 -0.02 0.00 1.11 0.00 0.00 32.58 31.48 1oxy s HIS 494 CO 0.05 -0.04 1.28 -2.14 -0.85 0.00 0.00 174.74 173.05 1oxy s PRO 495 N -4.43 2.62 4.40 8.40 0.02 -1.26 -4.59 135.00 140.16 1oxy s PRO 495 Ca 0.43 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1oxy s PRO 495 Cb -0.10 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1oxy s PRO 495 CO 0.38 -1.53 0.00 0.41 -0.33 0.00 0.00 177.00 175.92 1oxy n GLY 496 N 0.84 0.80 3.74 0.52 0.00 0.31 -4.86 105.19 106.53 1oxy n GLY 496 Ca 0.16 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1oxy n GLY 496 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oxy s LYS 497 N 0.00 4.61 0.02 1.61 3.01 -1.26 -0.63 119.74 127.11 1oxy s LYS 497 Ca 0.00 1.66 0.01 0.00 -1.01 0.00 0.00 55.97 56.63 1oxy s LYS 497 Cb 0.00 -3.30 -0.02 0.00 -1.01 0.00 0.00 37.83 33.50 1oxy s LYS 497 CO 0.00 0.10 -0.06 -0.80 0.51 0.00 0.00 175.35 175.10 1oxy s ASN 498 N -0.05 0.61 -0.22 2.83 0.01 -0.11 -4.93 114.94 113.07 1oxy s ASN 498 Ca 0.49 -0.39 -0.03 0.00 -0.71 0.00 0.00 52.86 52.22 1oxy s ASN 498 Cb -0.28 0.02 0.07 0.00 0.41 0.00 0.00 41.25 41.47 1oxy s ASN 498 CO 0.33 -0.15 0.06 -0.89 -1.51 0.00 0.00 177.10 174.94 1oxy s THR 499 N -1.00 0.51 -0.22 1.60 2.01 -1.26 -1.11 115.64 116.17 1oxy s THR 499 Ca -0.08 -0.71 -0.20 0.00 0.31 0.00 0.00 61.69 61.01 1oxy s THR 499 Cb -0.07 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 1oxy s THR 499 CO -0.00 -0.34 0.61 -0.69 -0.69 0.00 0.00 174.62 173.51 1oxy s VAL 500 N 1.85 5.02 -0.10 3.82 1.01 0.63 -4.88 120.40 127.75 1oxy s VAL 500 Ca 0.02 1.14 -0.02 0.00 0.00 0.00 0.00 61.98 63.11 1oxy s VAL 500 Cb -0.17 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1oxy s VAL 500 CO -0.14 0.09 0.00 -0.69 0.00 0.00 0.00 175.10 174.37 1oxy s VAL 501 N 2.08 4.30 -0.02 2.92 1.01 -1.26 -0.69 120.40 128.74 1oxy s VAL 501 Ca 0.27 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1oxy s VAL 501 Cb -0.16 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1oxy s VAL 501 CO 0.10 0.59 0.10 -0.60 0.00 0.00 0.00 175.10 175.29 1oxy s ARG 502 N -0.69 0.27 0.04 2.72 6.06 -0.72 -4.96 118.95 121.67 1oxy s ARG 502 Ca 0.11 -0.13 0.04 0.00 -2.50 0.00 0.00 55.73 53.26 1oxy s ARG 502 Cb -0.12 0.12 -0.04 0.00 0.06 0.00 0.00 34.95 34.97 1oxy s ARG 502 CO 0.02 -0.05 -0.06 -1.01 -2.50 0.00 0.00 175.30 171.70 1oxy s HIS 503 N -0.62 2.88 0.46 5.12 3.76 -1.26 -0.61 115.29 125.02 1oxy s HIS 503 Ca -0.07 -0.06 0.19 0.00 -0.15 0.00 0.00 55.06 54.97 1oxy s HIS 503 Cb -0.04 -1.56 1.17 0.00 1.11 0.00 0.00 32.58 33.26 1oxy s HIS 503 CO 0.00 0.41 1.94 0.66 -0.85 0.00 0.00 174.74 176.90 1oxy h SER 504 N 4.12 0.26 0.78 1.40 4.64 -1.45 -0.82 113.55 122.48 1oxy h SER 504 Ca -0.48 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1oxy h SER 504 Cb 1.17 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1oxy h SER 504 CO 0.55 0.13 0.00 -0.07 -0.87 0.00 0.00 176.83 176.57 1oxy h LEU 505 N 0.28 0.00 -1.04 5.97 4.07 -1.95 -2.83 115.31 119.80 1oxy h LEU 505 Ca 0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.30 1oxy h LEU 505 Cb 0.92 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1oxy h LEU 505 CO -0.08 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 177.75 1oxy n ASP 506 N -2.92 1.61 -4.57 -0.43 8.00 -0.31 -4.89 116.55 113.04 1oxy n ASP 506 Ca 0.00 -1.55 -0.60 0.00 0.71 0.00 0.00 54.79 53.35 1oxy n ASP 506 Cb 0.25 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.26 1oxy n ASP 506 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1oxy n SER 507 N 0.26 0.47 0.00 -2.24 2.88 -1.07 -4.86 113.62 109.06 1oxy n SER 507 Ca 0.18 1.16 0.08 0.00 -1.33 0.00 0.00 58.87 58.97 1oxy n SER 507 Cb 0.37 -0.94 0.50 0.00 -0.75 0.00 0.00 64.21 63.39 1oxy n SER 507 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1oxy n SER 508 N 2.25 0.00 -0.10 -3.46 3.41 -1.26 -3.02 113.62 111.43 1oxy n SER 508 Ca 0.22 -1.23 -0.11 0.00 -0.26 0.00 0.00 58.87 57.50 1oxy n SER 508 Cb 0.06 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.86 1oxy n SER 508 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1oxy n VAL 509 N -0.80 1.42 -4.03 -3.33 0.31 -1.26 -1.78 118.33 108.85 1oxy n VAL 509 Ca 0.13 -0.83 -0.23 0.00 -0.01 0.00 0.00 64.34 63.40 1oxy n VAL 509 Cb 0.06 -0.58 -0.03 0.00 -0.91 0.00 0.00 33.84 32.37 1oxy n VAL 509 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1oxy s THR 510 N -2.50 4.89 -0.23 2.52 -4.23 -1.17 -1.68 115.64 113.24 1oxy s THR 510 Ca -0.12 -1.11 -0.21 0.00 -1.18 0.00 0.00 61.69 59.08 1oxy s THR 510 Cb 0.06 -3.61 -0.02 0.00 1.34 0.00 0.00 72.50 70.27 1oxy s THR 510 CO 0.81 -0.28 0.65 -0.22 -0.54 0.00 0.00 174.62 175.04 1oxy s LEU 511 N -3.72 4.10 0.20 4.79 2.96 -0.30 -3.90 118.68 122.80 1oxy s LEU 511 Ca 0.33 0.79 0.25 0.00 -0.22 0.00 0.00 54.13 55.28 1oxy s LEU 511 Cb -0.09 -2.90 0.53 0.00 0.50 0.00 0.00 46.19 44.23 1oxy s LEU 511 CO 0.27 -0.34 1.53 0.28 -1.32 0.00 0.00 176.35 176.77 1oxy h SER 512 N 7.70 0.00 -3.02 3.68 0.02 -1.89 -3.36 113.55 116.68 1oxy h SER 512 Ca -0.28 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.52 1oxy h SER 512 Cb 1.13 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.42 1oxy h SER 512 CO 0.78 0.04 -0.20 -1.38 -1.14 0.00 0.00 176.83 174.94 1oxy s HIS 513 N -3.15 -0.81 -0.32 3.45 0.00 -1.26 -5.09 115.29 108.11 1oxy s HIS 513 Ca 0.08 1.63 -0.02 0.00 -3.00 0.00 0.00 55.06 53.75 1oxy s HIS 513 Cb 0.12 0.41 0.11 0.00 -4.00 0.00 0.00 32.58 29.22 1oxy s HIS 513 CO 0.67 -0.43 0.14 -1.14 -1.00 0.00 0.00 174.74 172.97 1oxy s GLN 514 N 1.68 0.51 0.17 -0.38 2.00 -1.26 -5.02 119.66 117.36 1oxy s GLN 514 Ca -0.09 -0.96 -0.30 0.00 -2.00 0.00 0.00 55.36 52.00 1oxy s GLN 514 Cb -0.08 -1.56 -0.08 0.00 0.80 0.00 0.00 33.01 32.09 1oxy s GLN 514 CO -0.15 -1.05 1.33 -1.25 -0.50 0.00 0.00 175.29 173.67 1oxy s PRO 515 N 1.63 4.36 1.00 1.67 0.04 -1.26 -5.03 135.00 137.41 1oxy s PRO 515 Ca 0.11 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.04 1oxy s PRO 515 Cb -0.18 -3.22 0.25 0.00 0.04 0.00 0.00 34.50 31.39 1oxy s PRO 515 CO -0.24 -0.32 0.72 0.25 0.04 0.00 0.00 177.00 177.45 1oxy n THR 516 N 3.11 0.00 0.01 1.26 -2.24 -1.26 -4.47 114.28 110.70 1oxy n THR 516 Ca 0.08 -0.17 -0.14 0.00 -2.27 0.00 0.00 64.05 61.55 1oxy n THR 516 Cb 0.43 -0.94 -0.02 0.00 -2.10 0.00 0.00 70.33 67.69 1oxy n THR 516 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1oxy h PHE 517 N -2.82 0.82 0.00 4.78 3.04 -1.95 -2.93 116.94 117.87 1oxy h PHE 517 Ca -0.30 -0.37 0.00 0.00 3.98 0.00 0.00 57.97 61.29 1oxy h PHE 517 Cb 0.95 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.33 1oxy h PHE 517 CO 0.00 1.17 0.00 0.39 -2.02 0.00 0.00 178.31 177.85 1oxy n GLU 518 N -3.88 0.95 -0.03 1.11 -0.58 -1.26 -1.40 120.64 115.54 1oxy n GLU 518 Ca -0.06 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.52 1oxy n GLU 518 Cb 0.73 -1.49 -0.14 0.00 -0.57 0.00 0.00 31.44 29.97 1oxy n GLU 518 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1oxy n ASP 519 N -0.99 1.53 0.16 1.62 8.00 -1.12 -4.22 116.55 121.51 1oxy n ASP 519 Ca 0.23 0.21 0.10 0.00 0.71 0.00 0.00 54.79 56.03 1oxy n ASP 519 Cb 0.10 -0.38 0.08 0.00 -0.02 0.00 0.00 41.12 40.90 1oxy n ASP 519 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1oxy h LEU 520 N 0.03 0.00 0.00 0.64 3.38 -1.38 -3.49 115.31 114.49 1oxy h LEU 520 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1oxy h LEU 520 Cb 2.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.78 1oxy h LEU 520 CO 0.06 0.10 0.00 0.18 0.09 0.00 0.00 178.44 178.87 1oxy n LEU 521 N -2.95 0.00 0.00 1.67 7.99 -0.49 -4.49 117.00 118.72 1oxy n LEU 521 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 1oxy n LEU 521 Cb 0.58 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 1oxy n LEU 521 CO 0.38 0.00 0.00 -1.54 -1.51 0.00 0.00 177.39 174.72 1oxy n SER 531 N 0.00 0.00 0.00 -1.43 3.41 -1.26 -4.62 113.62 109.72 1oxy n SER 531 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1oxy n SER 531 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1oxy n SER 531 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1oxy n GLU 532 N 0.00 0.00 -0.07 4.33 1.02 -1.26 -4.90 120.64 119.75 1oxy n GLU 532 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1oxy n GLU 532 Cb 0.00 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 31.79 1oxy n GLU 532 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1oxy n TYR 533 N 0.00 0.19 -3.40 -0.32 4.11 -1.26 -4.97 117.16 111.51 1oxy n TYR 533 Ca 0.00 -0.10 -0.31 0.00 -0.00 0.00 0.00 57.90 57.50 1oxy n TYR 533 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.29 1oxy n TYR 533 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1oxy n SER 535 N -0.39 1.86 -4.78 0.00 7.64 -1.26 -4.94 113.62 111.75 1oxy n SER 535 Ca -0.00 -1.48 -0.36 0.00 1.01 0.00 0.00 58.87 58.04 1oxy n SER 535 Cb 0.53 0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.81 1oxy n SER 535 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oxy n GLY 537 N 0.27 4.26 3.77 0.00 0.00 -1.26 -4.74 105.19 107.48 1oxy n GLY 537 Ca 0.05 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 1oxy n GLY 537 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1oxy s TRP 538 N -1.29 2.99 0.00 1.61 -0.11 -0.68 -4.46 118.94 117.01 1oxy s TRP 538 Ca 0.00 1.46 -0.35 0.00 1.22 0.00 0.00 56.10 58.43 1oxy s TRP 538 Cb 0.00 -3.59 -0.14 0.00 -1.50 0.00 0.00 33.47 28.24 1oxy s TRP 538 CO 0.00 -1.75 1.67 -0.35 -4.62 0.00 0.00 176.95 171.89 1oxy n PRO 539 N 0.41 1.87 -0.35 5.86 -0.04 -1.26 -1.15 135.00 140.34 1oxy n PRO 539 Ca 0.02 0.68 0.09 0.00 -0.04 0.00 0.00 63.50 64.25 1oxy n PRO 539 Cb 0.44 -2.44 0.27 0.00 -0.04 0.00 0.00 33.50 31.72 1oxy n PRO 539 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1oxy h SER 540 N 7.02 0.87 0.66 3.54 0.02 -1.93 -1.92 113.55 121.81 1oxy h SER 540 Ca -0.47 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1oxy h SER 540 Cb 1.28 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1oxy h SER 540 CO 0.90 0.43 0.00 0.00 -1.14 0.00 0.00 176.83 177.02 1oxy n HIS 541 N -4.64 0.69 -1.23 3.45 1.44 -1.26 -2.47 115.22 111.20 1oxy n HIS 541 Ca 0.20 0.27 -0.02 0.00 -2.01 0.00 0.00 57.72 56.17 1oxy n HIS 541 Cb 0.41 -0.94 0.23 0.00 0.12 0.00 0.00 29.99 29.81 1oxy n HIS 541 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1oxy n LEU 542 N -2.13 4.46 0.23 2.39 4.32 -0.72 -3.81 117.00 121.73 1oxy n LEU 542 Ca 0.02 -3.44 -0.15 0.00 -0.02 0.00 0.00 56.01 52.42 1oxy n LEU 542 Cb 0.21 -0.63 -0.08 0.00 -1.62 0.00 0.00 43.42 41.30 1oxy n LEU 542 CO 0.18 0.99 0.74 0.25 -1.22 0.00 0.00 177.39 178.33 1oxy h LEU 543 N 1.44 -0.43-10.13 2.23 7.12 -1.51 -3.44 115.31 110.59 1oxy h LEU 543 Ca 0.18 0.01 -0.51 0.00 0.13 0.00 0.00 57.88 57.70 1oxy h LEU 543 Cb 1.76 0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 41.96 1oxy h LEU 543 CO 0.43 -0.30 -0.40 0.68 -0.13 0.00 0.00 178.44 178.72 1oxy s VAL 544 N -6.06 2.59 1.12 1.05 -7.23 -1.26 -4.97 120.40 105.63 1oxy s VAL 544 Ca -0.16 -1.41 -0.18 0.00 -1.81 0.00 0.00 61.98 58.43 1oxy s VAL 544 Cb 0.04 -2.99 0.26 0.00 0.56 0.00 0.00 36.38 34.25 1oxy s VAL 544 CO 0.63 0.00 1.19 -2.84 -0.31 0.00 0.00 175.10 173.77 1oxy s PRO 545 N -4.09 -0.56 0.03 4.82 0.02 -1.26 -5.00 135.00 128.95 1oxy s PRO 545 Ca 0.47 -0.19 -0.20 0.00 0.02 0.00 0.00 61.00 61.10 1oxy s PRO 545 Cb -0.02 -1.69 -0.17 0.00 0.02 0.00 0.00 34.50 32.64 1oxy s PRO 545 CO 0.27 -3.25 1.24 -0.22 -0.33 0.00 0.00 177.00 174.72 1oxy h LYS 546 N -2.25 0.39 0.00 5.54 3.64 -1.95 -3.48 116.57 118.47 1oxy h LYS 546 Ca -0.45 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 1oxy h LYS 546 Cb 1.27 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1oxy h LYS 546 CO 0.36 0.89 0.00 0.41 -2.27 0.00 0.00 179.45 178.84 1oxy n GLY 547 N 0.54 -1.38 2.33 5.01 0.00 -1.26 -4.04 105.19 106.39 1oxy n GLY 547 Ca -0.07 -1.22 -0.20 0.00 0.00 0.00 0.00 46.02 44.53 1oxy n GLY 547 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1oxy n ASN 548 N -0.82 2.22 0.12 1.61 0.23 -1.24 -4.66 115.26 112.73 1oxy n ASN 548 Ca 0.00 -2.46 0.02 0.00 -0.53 0.00 0.00 54.58 51.62 1oxy n ASN 548 Cb 0.00 0.41 0.38 0.00 -2.08 0.00 0.00 39.78 38.49 1oxy n ASN 548 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1oxy h VAL 549 N 1.28 1.19 0.00 3.53 2.07 -1.90 0.47 116.25 122.89 1oxy h VAL 549 Ca -0.25 -0.83 -0.12 0.00 0.82 0.00 0.00 66.70 66.32 1oxy h VAL 549 Cb 0.83 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1oxy h VAL 549 CO 0.41 0.26 -0.63 0.00 0.02 0.00 0.00 177.57 177.63 1oxy h ALA 550 N 1.63 0.65 0.00 1.67 0.00 -1.92 -3.43 119.26 117.86 1oxy h ALA 550 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1oxy h ALA 550 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1oxy h ALA 550 CO 0.02 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.38 1oxy n GLY 551 N 1.25 1.08 3.79 0.00 0.00 -1.02 -4.98 105.19 105.31 1oxy n GLY 551 Ca 0.01 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 1oxy n GLY 551 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1oxy s MET 552 N -1.20 4.35 -0.04 1.61 1.75 0.55 -4.77 119.30 121.56 1oxy s MET 552 Ca 0.00 0.89 -0.26 0.00 -1.25 0.00 0.00 55.69 55.07 1oxy s MET 552 Cb 0.00 -3.27 -0.04 0.00 2.84 0.00 0.00 34.83 34.37 1oxy s MET 552 CO 0.00 0.56 0.80 -1.21 -0.65 0.00 0.00 175.02 174.51 1oxy s GLU 553 N -0.92 4.48 0.00 4.11 2.02 -1.26 -1.13 118.70 126.00 1oxy s GLU 553 Ca 0.32 1.07 0.02 0.00 0.02 0.00 0.00 54.97 56.40 1oxy s GLU 553 Cb -0.20 -3.45 -0.01 0.00 0.10 0.00 0.00 34.13 30.57 1oxy s GLU 553 CO 0.21 0.04 -0.07 0.71 0.02 0.00 0.00 175.26 176.17 1oxy s TYR 554 N 0.81 0.60 -0.06 1.61 1.51 -0.95 -1.50 117.35 119.38 1oxy s TYR 554 Ca 0.42 -0.18 -0.25 0.00 -1.01 0.00 0.00 57.07 56.05 1oxy s TYR 554 Cb -0.19 -0.38 -0.03 0.00 -0.11 0.00 0.00 41.96 41.25 1oxy s TYR 554 CO 0.22 -0.02 0.79 -1.01 -1.11 0.00 0.00 175.55 174.42 1oxy s HIS 555 N -0.37 3.58 -0.38 2.71 3.76 0.75 -1.49 115.29 123.85 1oxy s HIS 555 Ca 0.00 1.37 -0.07 0.00 -0.15 0.00 0.00 55.06 56.22 1oxy s HIS 555 Cb -0.04 -2.91 0.06 0.00 1.11 0.00 0.00 32.58 30.81 1oxy s HIS 555 CO -0.00 0.03 0.17 -1.17 -0.85 0.00 0.00 174.74 172.92 1oxy s LEU 556 N 0.99 4.75 -0.06 0.89 2.96 -0.00 -1.60 118.68 126.61 1oxy s LEU 556 Ca 0.41 -1.40 -0.15 0.00 -0.22 0.00 0.00 54.13 52.77 1oxy s LEU 556 Cb -0.18 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 1oxy s LEU 556 CO 0.20 -0.43 0.40 0.12 -1.32 0.00 0.00 176.35 175.32 1oxy s PHE 557 N 1.37 3.63 -0.05 5.38 2.19 -0.03 -1.12 117.98 129.35 1oxy s PHE 557 Ca 0.01 0.89 0.02 0.00 0.33 0.00 0.00 56.93 58.19 1oxy s PHE 557 Cb -0.21 -2.36 0.01 0.00 -1.31 0.00 0.00 43.02 39.15 1oxy s PHE 557 CO 0.01 0.45 -0.10 0.08 1.83 0.00 0.00 175.22 177.50 1oxy s VAL 558 N -0.37 0.90 -0.02 3.12 1.01 -0.35 -1.55 120.40 123.14 1oxy s VAL 558 Ca 0.23 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1oxy s VAL 558 Cb -0.16 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1oxy s VAL 558 CO 0.11 0.29 -0.08 -0.32 0.00 0.00 0.00 175.10 175.10 1oxy s MET 559 N 0.53 0.83 -0.18 2.72 0.00 -0.00 -1.38 119.30 121.81 1oxy s MET 559 Ca -0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 55.69 55.32 1oxy s MET 559 Cb -0.13 -0.79 0.01 0.00 0.00 0.00 0.00 34.83 33.92 1oxy s MET 559 CO 0.02 0.11 -0.14 -0.51 0.00 0.00 0.00 175.02 174.49 1oxy s LEU 560 N 0.15 2.43 0.29 4.11 1.43 -0.13 -0.81 118.68 126.15 1oxy s LEU 560 Ca -0.02 -0.53 0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1oxy s LEU 560 Cb -0.07 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 1oxy s LEU 560 CO 0.00 0.02 -0.13 0.42 0.23 0.00 0.00 176.35 176.90 1oxy s THR 561 N 1.19 2.67 -0.43 5.49 -4.23 -0.58 -4.68 115.64 115.06 1oxy s THR 561 Ca 0.02 -2.24 -0.28 0.00 -1.18 0.00 0.00 61.69 58.00 1oxy s THR 561 Cb -0.14 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 1oxy s THR 561 CO -0.06 -0.35 1.70 -0.62 -0.54 0.00 0.00 174.62 174.74 1oxy s ASP 562 N -3.57 5.86 0.61 3.99 -1.08 -1.26 -1.13 116.67 120.08 1oxy s ASP 562 Ca 0.31 0.89 0.31 0.00 -0.52 0.00 0.00 52.55 53.54 1oxy s ASP 562 Cb -0.04 -2.53 1.76 0.00 -1.46 0.00 0.00 42.92 40.65 1oxy s ASP 562 CO 0.17 -1.80 2.13 -0.25 0.52 0.00 0.00 175.17 175.93 1oxy h TRP 563 N 12.74 0.00 0.00 -5.34 7.01 -1.73 0.12 115.95 128.75 1oxy h TRP 563 Ca -0.30 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.70 1oxy h TRP 563 Cb 1.15 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.21 1oxy h TRP 563 CO 0.99 0.00 0.00 -0.25 -2.79 0.00 0.00 178.44 176.39 1oxy n ASP 564 N -3.64 0.22 -0.06 2.65 8.00 -1.26 -0.95 116.55 121.52 1oxy n ASP 564 Ca 0.00 0.54 -0.01 0.00 0.71 0.00 0.00 54.79 56.03 1oxy n ASP 564 Cb 0.28 -0.59 -0.14 0.00 -0.02 0.00 0.00 41.12 40.64 1oxy n ASP 564 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1oxy n LYS 565 N -1.73 0.88 0.01 -1.24 5.02 -0.02 -4.58 118.16 116.51 1oxy n LYS 565 Ca 0.05 -0.08 -0.14 0.00 -2.02 0.00 0.00 58.31 56.12 1oxy n LYS 565 Cb 0.28 -1.46 -0.14 0.00 -0.02 0.00 0.00 35.03 33.69 1oxy n LYS 565 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1oxy h ASP 566 N 0.00 0.20 -2.79 4.39 3.32 -1.16 -3.44 116.42 116.93 1oxy h ASP 566 Ca -0.28 -0.39 -0.52 0.00 0.02 0.00 0.00 57.03 55.85 1oxy h ASP 566 Cb 1.60 -0.07 0.06 0.00 0.22 0.00 0.00 39.33 41.14 1oxy h ASP 566 CO 0.02 1.34 0.98 -1.59 -1.72 0.00 0.00 179.24 178.26 1oxy s LYS 567 N -2.60 4.14 -0.31 3.56 0.00 -0.12 -0.88 119.74 123.53 1oxy s LYS 567 Ca -0.10 2.57 0.02 0.00 0.00 0.00 0.00 55.97 58.46 1oxy s LYS 567 Cb 0.07 -3.08 0.08 0.00 0.00 0.00 0.00 37.83 34.91 1oxy s LYS 567 CO 0.81 -0.71 -0.00 0.08 0.00 0.00 0.00 175.35 175.53 1oxy s VAL 568 N 0.98 2.47 0.00 1.79 1.01 -1.26 -4.85 120.40 120.54 1oxy s VAL 568 Ca 0.72 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1oxy s VAL 568 Cb -0.49 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1oxy s VAL 568 CO 0.34 -0.32 0.00 0.47 0.00 0.00 0.00 175.10 175.60 1oxy n ASP 569 N 4.42 0.00 0.00 3.32 10.43 -1.26 -4.75 116.55 128.71 1oxy n ASP 569 Ca -0.06 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.30 1oxy n ASP 569 Cb 0.42 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.38 1oxy n ASP 569 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 1oxy n VAL 574 N 0.00 0.00 -2.63 2.53 3.14 -1.26 -5.14 118.33 114.97 1oxy n VAL 574 Ca 0.00 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.13 1oxy n VAL 574 Cb 0.00 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 32.80 1oxy n VAL 574 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1oxy s ALA 575 N 0.00 3.50 -1.26 1.55 0.00 -1.26 -4.64 121.76 119.64 1oxy s ALA 575 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1oxy s ALA 575 Cb 0.00 -2.41 -0.00 0.00 0.00 0.00 0.00 23.12 20.71 1oxy s ALA 575 CO 0.00 -0.63 0.77 0.00 0.00 0.00 0.00 175.76 175.90 1oxy n VAL 577 N -4.18 2.42 -0.26 0.00 0.24 -1.26 -4.06 118.33 111.23 1oxy n VAL 577 Ca -0.28 -2.19 -0.06 0.00 -2.04 0.00 0.00 64.34 59.78 1oxy n VAL 577 Cb 0.67 -0.29 0.05 0.00 -1.47 0.00 0.00 33.84 32.80 1oxy n VAL 577 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1oxy h ASP 578 N 1.47 0.90 -1.56 -1.34 3.58 -1.89 -3.01 116.42 114.57 1oxy h ASP 578 Ca 0.11 -0.10 -0.53 0.00 0.42 0.00 0.00 57.03 56.93 1oxy h ASP 578 Cb 1.59 -0.23 -0.41 0.00 1.72 0.00 0.00 39.33 41.99 1oxy h ASP 578 CO 0.32 0.74 -0.85 0.00 -2.88 0.00 0.00 179.24 176.58 1oxy n ALA 579 N -2.35 4.47 -0.24 -0.78 0.00 -1.25 -4.36 120.51 116.00 1oxy n ALA 579 Ca 0.06 -4.07 0.04 0.00 0.00 0.00 0.00 53.44 49.47 1oxy n ALA 579 Cb 0.09 -0.68 0.14 0.00 0.00 0.00 0.00 19.45 19.01 1oxy n ALA 579 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1oxy h VAL 580 N 2.64 0.42 -0.82 0.00 2.07 -1.21 -0.24 116.25 119.11 1oxy h VAL 580 Ca 0.17 -0.05 0.20 0.00 0.82 0.00 0.00 66.70 67.85 1oxy h VAL 580 Cb 0.91 0.27 -0.13 0.00 -1.52 0.00 0.00 31.29 30.83 1oxy h VAL 580 CO 0.75 0.03 0.21 0.28 0.02 0.00 0.00 177.57 178.85 1oxy h SER 581 N 0.14 0.00 0.00 0.57 0.02 -1.68 0.17 113.55 112.77 1oxy h SER 581 Ca 0.38 0.18 -0.27 0.00 -0.84 0.00 0.00 61.79 61.24 1oxy h SER 581 Cb 0.66 0.24 -0.05 0.00 0.14 0.00 0.00 62.40 63.39 1oxy h SER 581 CO -0.59 -0.10 -2.10 -1.22 -1.14 0.00 0.00 176.83 171.68 1oxy n TYR 582 N -5.20 0.00 0.66 3.45 4.01 -1.17 -4.67 117.16 114.25 1oxy n TYR 582 Ca 0.18 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.99 1oxy n TYR 582 Cb 0.58 -0.77 -0.05 0.00 -0.31 0.00 0.00 39.34 38.79 1oxy n TYR 582 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1oxy n GLY 584 N 1.24 -0.50 3.17 0.00 0.00 0.59 -4.89 105.19 104.80 1oxy n GLY 584 Ca 0.04 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 1oxy n GLY 584 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oxy s ALA 585 N -1.33 1.27 0.11 4.61 0.00 -1.26 -4.19 121.76 120.97 1oxy s ALA 585 Ca 0.00 -0.94 -0.31 0.00 0.00 0.00 0.00 51.96 50.71 1oxy s ALA 585 Cb 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 23.12 22.88 1oxy s ALA 585 CO 0.00 0.23 1.34 0.50 0.00 0.00 0.00 175.76 177.82 1oxy s ARG 586 N -1.42 4.35 -0.32 0.00 3.52 -0.70 -3.49 118.95 120.89 1oxy s ARG 586 Ca 0.01 2.00 0.00 0.00 -0.13 0.00 0.00 55.73 57.62 1oxy s ARG 586 Cb -0.09 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1oxy s ARG 586 CO 0.02 -0.38 0.00 -0.25 -0.81 0.00 0.00 175.30 173.88 1oxy n ASP 587 N 3.82 -3.78 -4.28 -2.12 8.00 -1.26 -4.41 116.55 112.52 1oxy n ASP 587 Ca 0.10 0.07 -0.18 0.00 0.71 0.00 0.00 54.79 55.50 1oxy n ASP 587 Cb 0.43 -2.62 -0.11 0.00 -0.02 0.00 0.00 41.12 38.81 1oxy n ASP 587 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1oxy s HIS 588 N -0.97 1.50 0.47 1.24 2.46 -1.23 -5.13 115.29 113.64 1oxy s HIS 588 Ca 0.00 -0.60 -0.11 0.00 0.47 0.00 0.00 55.06 54.82 1oxy s HIS 588 Cb 0.00 -0.75 -0.06 0.00 -0.13 0.00 0.00 32.58 31.64 1oxy s HIS 588 CO 0.00 0.21 0.87 -1.59 -2.47 0.00 0.00 174.74 171.76 1oxy s LYS 589 N -3.20 3.77 -0.32 2.88 -2.85 -1.26 -4.48 119.74 114.28 1oxy s LYS 589 Ca 0.15 0.60 -0.38 0.00 -1.00 0.00 0.00 55.97 55.34 1oxy s LYS 589 Cb -0.02 -2.28 -0.14 0.00 -2.06 0.00 0.00 37.83 33.33 1oxy s LYS 589 CO 0.04 -0.20 2.01 0.98 0.10 0.00 0.00 175.35 178.29 1oxy n TYR 590 N -1.70 1.76 -0.28 1.78 9.36 -1.26 -4.79 117.16 122.02 1oxy n TYR 590 Ca 0.04 0.40 0.00 0.00 3.32 0.00 0.00 57.90 61.66 1oxy n TYR 590 Cb 0.54 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.76 1oxy n TYR 590 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1oxy n PRO 591 N 7.06 0.80 -3.65 2.98 -0.04 -1.26 -4.57 135.00 136.31 1oxy n PRO 591 Ca 0.36 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.78 1oxy n PRO 591 Cb 0.17 -1.10 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 1oxy n PRO 591 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1oxy s ASP 592 N 1.90 -0.72 0.43 3.54 -1.08 -1.26 -4.43 116.67 115.05 1oxy s ASP 592 Ca 0.00 1.30 0.23 0.00 -0.52 0.00 0.00 52.55 53.55 1oxy s ASP 592 Cb 0.00 1.83 0.39 0.00 -1.46 0.00 0.00 42.92 43.68 1oxy s ASP 592 CO 0.00 -0.23 1.62 0.11 0.52 0.00 0.00 175.17 177.19 1oxy h LYS 593 N 8.06 0.00 -7.07 4.34 1.57 -1.25 -3.46 116.57 118.75 1oxy h LYS 593 Ca -0.17 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.09 1oxy h LYS 593 Cb 1.11 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.50 1oxy h LYS 593 CO 0.11 0.07 0.46 0.15 -0.57 0.00 0.00 179.45 179.68 1oxy s LYS 594 N -3.22 3.28 0.43 3.15 1.02 -1.26 -4.96 119.74 118.18 1oxy s LYS 594 Ca 0.06 1.74 -0.25 0.00 0.02 0.00 0.00 55.97 57.54 1oxy s LYS 594 Cb 0.06 -2.05 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 1oxy s LYS 594 CO 0.67 -0.94 1.30 -1.25 -0.92 0.00 0.00 175.35 174.21 1oxy s PRO 595 N -3.19 3.86 0.02 -1.68 0.04 -1.26 -4.89 135.00 127.89 1oxy s PRO 595 Ca 0.73 2.14 -0.30 0.00 0.04 0.00 0.00 61.00 63.61 1oxy s PRO 595 Cb -0.28 -2.67 -0.08 0.00 0.04 0.00 0.00 34.50 31.51 1oxy s PRO 595 CO 0.31 -0.58 1.85 -1.64 0.04 0.00 0.00 177.00 176.98 1oxy s MET 596 N -2.36 4.16 0.00 4.56 -1.94 -1.26 -1.56 119.30 120.90 1oxy s MET 596 Ca 0.59 2.47 0.00 0.00 -1.71 0.00 0.00 55.69 57.04 1oxy s MET 596 Cb -0.38 -4.02 0.00 0.00 2.01 0.00 0.00 34.83 32.44 1oxy s MET 596 CO 0.48 -0.90 0.00 0.41 -0.01 0.00 0.00 175.02 175.00 1oxy n GLY 597 N 4.36 0.70 3.76 -0.03 0.00 -1.26 -4.83 105.19 107.89 1oxy n GLY 597 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1oxy n GLY 597 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1oxy n PHE 598 N -1.63 2.92 0.46 1.61 -0.00 -0.60 -0.34 117.46 119.88 1oxy n PHE 598 Ca 0.00 0.36 0.06 0.00 -0.00 0.00 0.00 57.45 57.87 1oxy n PHE 598 Cb 0.00 -2.56 0.20 0.00 -0.00 0.00 0.00 39.48 37.12 1oxy n PHE 598 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1oxy n PRO 599 N 1.19 2.32 -0.60 -7.13 -0.04 -1.26 -4.96 135.00 124.52 1oxy n PRO 599 Ca 0.04 -1.59 -0.03 0.00 -0.04 0.00 0.00 63.50 61.88 1oxy n PRO 599 Cb 0.38 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.52 1oxy n PRO 599 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1oxy n PHE 600 N 0.63 1.45 -0.06 0.54 3.72 0.54 -4.45 117.46 119.84 1oxy n PHE 600 Ca 0.15 -0.78 -0.01 0.00 -0.05 0.00 0.00 57.45 56.76 1oxy n PHE 600 Cb 0.48 -0.47 -0.15 0.00 -0.94 0.00 0.00 39.48 38.40 1oxy n PHE 600 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1oxy n ASP 601 N 0.03 0.49 -4.95 4.37 5.75 -1.24 -4.78 116.55 116.22 1oxy n ASP 601 Ca 0.24 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.77 1oxy n ASP 601 Cb 0.96 1.35 -0.03 0.00 -1.03 0.00 0.00 41.12 42.37 1oxy n ASP 601 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1oxy s ARG 602 N -2.83 3.47 0.23 0.11 1.81 -1.26 -4.78 118.95 115.69 1oxy s ARG 602 Ca -0.08 -0.55 -0.32 0.00 -1.72 0.00 0.00 55.73 53.07 1oxy s ARG 602 Cb 0.08 -2.89 -0.12 0.00 -0.45 0.00 0.00 34.95 31.58 1oxy s ARG 602 CO 0.78 0.44 1.70 -1.25 -0.68 0.00 0.00 175.30 176.28 1oxy s PRO 603 N -3.53 4.12 -0.31 3.54 0.04 -1.26 -4.93 135.00 132.67 1oxy s PRO 603 Ca 0.36 2.60 -0.12 0.00 0.04 0.00 0.00 61.00 63.88 1oxy s PRO 603 Cb -0.10 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 1oxy s PRO 603 CO 0.29 -0.73 0.22 0.42 0.04 0.00 0.00 177.00 177.25 1oxy s ILE 604 N 0.92 5.29 -0.64 0.56 1.01 -1.26 -4.28 121.20 122.80 1oxy s ILE 604 Ca 0.72 -0.01 0.25 0.00 0.00 0.00 0.00 60.65 61.61 1oxy s ILE 604 Cb -0.49 -3.63 0.14 0.00 0.01 0.00 0.00 42.46 38.49 1oxy s ILE 604 CO 0.35 0.11 1.48 0.45 0.00 0.00 0.00 174.94 177.33 1oxy h HIS 605 N 8.43 0.00 -4.25 3.97 3.86 -1.98 -3.39 115.15 121.79 1oxy h HIS 605 Ca -0.33 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.38 1oxy h HIS 605 Cb 1.17 0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.73 1oxy h HIS 605 CO 0.71 0.00 0.37 0.95 0.86 0.00 0.00 177.93 180.82 1oxy s THR 606 N -3.16 3.65 -0.08 2.45 -4.23 -1.26 -5.01 115.64 108.01 1oxy s THR 606 Ca 0.07 0.68 -0.24 0.00 -1.18 0.00 0.00 61.69 61.03 1oxy s THR 606 Cb 0.12 -3.25 -0.30 0.00 1.34 0.00 0.00 72.50 70.42 1oxy s THR 606 CO 0.68 -0.56 0.85 -0.08 -0.54 0.00 0.00 174.62 174.97 1oxy h GLU 607 N -0.14 0.20 -6.06 3.99 4.81 -1.97 -3.41 114.58 112.00 1oxy h GLU 607 Ca -0.46 -0.35 -0.67 0.00 -0.13 0.00 0.00 59.36 57.75 1oxy h GLU 607 Cb 1.23 0.13 -0.15 0.00 0.63 0.00 0.00 28.75 30.59 1oxy h GLU 607 CO 0.56 1.17 -0.63 -1.01 -0.73 0.00 0.00 179.01 178.36 1oxy s HIS 608 N -2.36 3.12 0.25 0.92 3.76 -1.26 -1.60 115.29 118.11 1oxy s HIS 608 Ca -0.15 0.14 0.37 0.00 -0.15 0.00 0.00 55.06 55.26 1oxy s HIS 608 Cb -0.00 -1.73 1.70 0.00 1.11 0.00 0.00 32.58 33.65 1oxy s HIS 608 CO 0.79 0.46 2.09 0.97 -0.85 0.00 0.00 174.74 178.20 1oxy h ILE 609 N 3.87 0.00 0.00 0.60 6.09 -1.89 -2.19 117.51 123.99 1oxy h ILE 609 Ca -0.50 -0.32 -0.06 0.00 -1.37 0.00 0.00 64.86 62.61 1oxy h ILE 609 Cb 1.18 1.29 -0.01 0.00 0.47 0.00 0.00 36.82 39.76 1oxy h ILE 609 CO 0.56 0.00 -0.30 0.77 -3.07 0.00 0.00 178.15 176.11 1oxy h SER 610 N 0.00 0.00 0.98 2.19 4.64 -1.99 -2.06 113.55 117.31 1oxy h SER 610 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1oxy h SER 610 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1oxy h SER 610 CO 0.00 0.30 0.00 0.47 -0.87 0.00 0.00 176.83 176.73 1oxy n ASP 611 N -3.44 0.00 0.15 4.97 8.00 -0.82 -3.05 116.55 122.35 1oxy n ASP 611 Ca 0.00 0.48 0.12 0.00 0.71 0.00 0.00 54.79 56.10 1oxy n ASP 611 Cb 0.48 -0.49 0.10 0.00 -0.02 0.00 0.00 41.12 41.19 1oxy n ASP 611 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1oxy h PHE 612 N 0.00 0.00 -3.05 1.24 3.57 -1.44 -3.48 116.94 113.79 1oxy h PHE 612 Ca 0.00 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.97 1oxy h PHE 612 Cb 0.49 0.00 0.03 0.00 2.79 0.00 0.00 35.95 39.26 1oxy h PHE 612 CO 0.00 0.00 0.74 -0.51 -2.23 0.00 0.00 178.31 176.31 1oxy s LEU 613 N -5.61 4.38 0.00 0.59 1.43 -1.17 -5.05 118.68 113.24 1oxy s LEU 613 Ca 0.04 2.39 0.07 0.00 -1.03 0.00 0.00 54.13 55.60 1oxy s LEU 613 Cb 0.08 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.79 1oxy s LEU 613 CO 0.72 -0.66 0.71 0.35 0.23 0.00 0.00 176.35 177.70 1oxy n THR 614 N 3.69 0.00 0.20 5.49 -2.24 -1.26 -5.01 114.28 115.15 1oxy n THR 614 Ca 0.11 -1.62 0.05 0.00 -2.27 0.00 0.00 64.05 60.32 1oxy n THR 614 Cb 0.42 -0.63 0.43 0.00 -2.10 0.00 0.00 70.33 68.45 1oxy n THR 614 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1oxy h ASN 615 N 0.01 0.00 -0.26 3.42 4.21 -1.95 -2.69 115.58 118.31 1oxy h ASN 615 Ca -0.24 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.27 1oxy h ASN 615 Cb 1.07 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 1oxy h ASN 615 CO 0.33 0.31 0.00 -0.46 -1.29 0.00 0.00 177.43 176.32 1oxy n ASN 616 N -3.95 3.05 -4.18 5.81 6.94 -1.26 -1.32 115.26 120.35 1oxy n ASN 616 Ca -0.02 -2.39 -0.19 0.00 -0.02 0.00 0.00 54.58 51.96 1oxy n ASN 616 Cb 0.38 -0.56 -0.12 0.00 -2.36 0.00 0.00 39.78 37.11 1oxy n ASN 616 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1oxy s MET 617 N -1.78 0.88 -0.17 -3.83 -1.94 -1.02 -0.96 119.30 110.49 1oxy s MET 617 Ca 0.24 -0.94 -0.14 0.00 -1.71 0.00 0.00 55.69 53.15 1oxy s MET 617 Cb 0.18 -0.92 0.05 0.00 2.01 0.00 0.00 34.83 36.15 1oxy s MET 617 CO 0.08 0.21 0.45 0.12 -0.01 0.00 0.00 175.02 175.87 1oxy s PHE 618 N -1.17 -0.56 -0.17 -0.03 5.36 -0.48 -4.69 117.98 116.25 1oxy s PHE 618 Ca -0.00 1.27 -0.01 0.00 -0.96 0.00 0.00 56.93 57.23 1oxy s PHE 618 Cb -0.10 0.22 -0.01 0.00 -0.34 0.00 0.00 43.02 42.80 1oxy s PHE 618 CO 0.02 -0.29 -0.11 0.42 -1.46 0.00 0.00 175.22 173.81 1oxy s ILE 619 N 0.68 2.99 -0.16 3.12 1.01 -1.26 -1.21 121.20 126.37 1oxy s ILE 619 Ca -0.04 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 1oxy s ILE 619 Cb -0.05 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.11 1oxy s ILE 619 CO -0.05 0.49 -0.09 -0.75 0.00 0.00 0.00 174.94 174.55 1oxy s LYS 620 N 0.90 3.44 -0.25 2.79 2.47 -0.27 -4.92 119.74 123.89 1oxy s LYS 620 Ca -0.03 -0.64 -0.21 0.00 -1.56 0.00 0.00 55.97 53.53 1oxy s LYS 620 Cb -0.15 -2.79 -0.02 0.00 -1.46 0.00 0.00 37.83 33.42 1oxy s LYS 620 CO -0.00 0.11 0.68 -0.51 0.16 0.00 0.00 175.35 175.79 1oxy s ASP 621 N 0.66 6.65 0.53 1.43 1.11 -1.26 -0.82 116.67 124.97 1oxy s ASP 621 Ca -0.05 0.80 0.03 0.00 0.18 0.00 0.00 52.55 53.51 1oxy s ASP 621 Cb -0.15 -2.36 0.02 0.00 1.07 0.00 0.00 42.92 41.49 1oxy s ASP 621 CO 0.02 -0.41 0.19 0.27 1.18 0.00 0.00 175.17 176.43 1oxy s ILE 622 N 2.57 1.32 -0.02 0.77 -4.36 -0.55 -4.99 121.20 115.94 1oxy s ILE 622 Ca 0.29 -1.77 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 1oxy s ILE 622 Cb -0.15 -2.09 0.01 0.00 1.25 0.00 0.00 42.46 41.48 1oxy s ILE 622 CO 0.08 0.00 -0.02 -0.54 0.24 0.00 0.00 174.94 174.70 1oxy s LYS 623 N -4.08 0.33 -0.19 0.37 1.02 -0.89 -2.23 119.74 114.07 1oxy s LYS 623 Ca 0.17 -0.04 -0.06 0.00 0.02 0.00 0.00 55.97 56.06 1oxy s LYS 623 Cb -0.01 -0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 36.88 1oxy s LYS 623 CO 0.10 -0.02 0.02 0.42 -0.92 0.00 0.00 175.35 174.95 1oxy s ILE 624 N 0.43 4.21 -0.12 2.17 1.01 -0.29 -1.29 121.20 127.32 1oxy s ILE 624 Ca -0.04 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.41 1oxy s ILE 624 Cb -0.07 -2.90 0.01 0.00 0.01 0.00 0.00 42.46 39.50 1oxy s ILE 624 CO -0.01 0.44 -0.23 -0.75 0.00 0.00 0.00 174.94 174.39 1oxy s LYS 625 N 0.79 3.03 0.31 2.79 2.20 0.05 -0.33 119.74 128.58 1oxy s LYS 625 Ca 0.01 -0.87 0.01 0.00 -0.36 0.00 0.00 55.97 54.76 1oxy s LYS 625 Cb -0.14 -2.37 -0.03 0.00 -1.51 0.00 0.00 37.83 33.77 1oxy s LYS 625 CO 0.02 0.07 0.50 0.12 -0.36 0.00 0.00 175.35 175.71 1oxy s PHE 626 N 0.60 3.49 0.00 4.03 5.36 0.13 -1.16 117.98 130.43 1oxy s PHE 626 Ca -0.12 0.31 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 1oxy s PHE 626 Cb -0.17 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.66 1oxy s PHE 626 CO 0.03 0.20 0.05 -2.39 -1.46 0.00 0.00 175.22 171.64