#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xai s LYS 2 N 0.00 3.08 0.25 2.12 2.20 -1.26 -0.50 119.74 125.62 1xai s LYS 2 Ca 0.00 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.17 1xai s LYS 2 Cb 0.00 -2.87 -0.05 0.00 -1.51 0.00 0.00 37.83 33.40 1xai s LYS 2 CO 0.00 0.67 0.08 -0.51 -0.36 0.00 0.00 175.35 175.23 1xai s LEU 3 N -1.55 1.72 -0.19 5.43 1.43 -0.57 -4.95 118.68 120.01 1xai s LEU 3 Ca 0.21 -1.35 -0.13 0.00 -1.03 0.00 0.00 54.13 51.83 1xai s LEU 3 Cb -0.12 0.00 0.06 0.00 0.03 0.00 0.00 46.19 46.16 1xai s LEU 3 CO 0.11 -0.70 0.47 -1.58 0.23 0.00 0.00 176.35 174.88 1xai s GLN 4 N -4.01 0.49 0.12 1.70 0.74 -1.26 -1.64 119.66 115.79 1xai s GLN 4 Ca 0.36 0.79 -0.31 0.00 0.05 0.00 0.00 55.36 56.25 1xai s GLN 4 Cb 0.08 0.10 -0.08 0.00 1.10 0.00 0.00 33.01 34.21 1xai s GLN 4 CO 0.12 -0.12 1.42 0.95 -0.55 0.00 0.00 175.29 177.11 1xai s THR 5 N 1.00 3.20 -0.59 -0.34 -4.23 -0.94 -4.93 115.64 108.81 1xai s THR 5 Ca -0.06 0.86 -0.03 0.00 -1.18 0.00 0.00 61.69 61.28 1xai s THR 5 Cb -0.06 -3.55 0.23 0.00 1.34 0.00 0.00 72.50 70.46 1xai s THR 5 CO -0.09 0.06 2.33 0.35 -0.54 0.00 0.00 174.62 176.74 1xai n THR 6 N 3.97 3.38 -2.10 3.99 -2.24 -1.26 -4.52 114.28 115.50 1xai n THR 6 Ca 0.12 -3.22 -0.27 0.00 -2.27 0.00 0.00 64.05 58.40 1xai n THR 6 Cb 0.42 -1.39 0.07 0.00 -2.10 0.00 0.00 70.33 67.33 1xai n THR 6 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1xai s TYR 7 N -2.78 3.00 0.04 4.78 1.51 -1.26 -5.02 117.35 117.62 1xai s TYR 7 Ca 0.54 0.61 -0.27 0.00 -1.01 0.00 0.00 57.07 56.93 1xai s TYR 7 Cb 0.40 -3.23 -0.15 0.00 -0.11 0.00 0.00 41.96 38.87 1xai s TYR 7 CO -0.23 -1.44 1.40 -1.35 -1.11 0.00 0.00 175.55 172.82 1xai h PRO 8 N -0.70 -0.94 0.00 -1.71 0.11 -1.97 -3.46 132.00 123.33 1xai h PRO 8 Ca -0.45 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1xai h PRO 8 Cb 1.31 0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.63 1xai h PRO 8 CO 0.62 -0.63 0.00 -1.13 -0.21 0.00 0.00 178.00 176.65 1xai n SER 9 N -4.64 0.11 -0.03 -2.05 3.41 -1.26 -4.91 113.62 104.24 1xai n SER 9 Ca -0.12 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1xai n SER 9 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1xai n SER 9 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xai n ASN 10 N -2.57 0.00 -4.58 4.04 3.02 -1.26 -4.93 115.26 108.98 1xai n ASN 10 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1xai n ASN 10 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 1xai n ASN 10 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1xai s ASN 11 N 0.00 4.39 0.17 6.41 0.01 -1.26 -4.90 114.94 119.75 1xai s ASN 11 Ca 0.00 -0.41 0.09 0.00 -0.71 0.00 0.00 52.86 51.84 1xai s ASN 11 Cb 0.00 -0.83 -0.04 0.00 0.41 0.00 0.00 41.25 40.79 1xai s ASN 11 CO 0.00 0.17 -0.21 -0.72 -1.51 0.00 0.00 177.10 174.83 1xai s TYR 12 N -1.27 1.97 0.74 2.20 1.13 -1.26 -4.94 117.35 115.93 1xai s TYR 12 Ca 0.22 -0.43 -0.08 0.00 -1.41 0.00 0.00 57.07 55.38 1xai s TYR 12 Cb -0.11 -0.99 0.09 0.00 -1.10 0.00 0.00 41.96 39.84 1xai s TYR 12 CO 0.14 0.37 1.06 -1.25 -2.51 0.00 0.00 175.55 173.36 1xai s PRO 13 N -2.64 1.94 -0.24 -3.49 0.04 -1.26 -2.21 135.00 127.14 1xai s PRO 13 Ca 0.16 -0.34 -0.02 0.00 0.04 0.00 0.00 61.00 60.84 1xai s PRO 13 Cb -0.07 -2.13 0.12 0.00 0.04 0.00 0.00 34.50 32.46 1xai s PRO 13 CO 0.07 -1.43 0.30 0.42 0.04 0.00 0.00 177.00 176.41 1xai s ILE 14 N -3.34 -0.45 -0.35 0.56 1.01 -0.65 -1.28 121.20 116.70 1xai s ILE 14 Ca 0.63 -0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.90 1xai s ILE 14 Cb -0.09 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.56 1xai s ILE 14 CO 0.46 -0.24 0.48 -0.31 0.00 0.00 0.00 174.94 175.33 1xai s TYR 15 N 2.42 3.18 -0.72 3.97 2.02 0.11 -1.51 117.35 126.83 1xai s TYR 15 Ca 0.10 0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.93 1xai s TYR 15 Cb -0.15 -2.88 0.18 0.00 -0.40 0.00 0.00 41.96 38.71 1xai s TYR 15 CO -0.19 -0.53 0.53 0.08 -1.57 0.00 0.00 175.55 173.87 1xai s VAL 16 N 2.31 3.28 0.30 0.71 1.01 0.35 0.36 120.40 128.71 1xai s VAL 16 Ca 0.17 -3.95 0.03 0.00 0.00 0.00 0.00 61.98 58.23 1xai s VAL 16 Cb -0.16 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1xai s VAL 16 CO 0.13 -0.99 0.15 -1.61 0.00 0.00 0.00 175.10 172.78 1xai s GLU 17 N -1.16 1.57 0.00 2.72 2.02 -1.15 -2.56 118.70 120.13 1xai s GLU 17 Ca 0.24 -1.89 0.10 0.00 0.02 0.00 0.00 54.97 53.44 1xai s GLU 17 Cb -0.09 -0.12 0.29 0.00 0.10 0.00 0.00 34.13 34.31 1xai s GLU 17 CO -0.12 -0.43 1.24 0.72 0.02 0.00 0.00 175.26 176.69 1xai n HIS 18 N -0.56 0.41 -1.64 1.61 8.25 -1.26 0.11 115.22 122.14 1xai n HIS 18 Ca 0.01 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1xai n HIS 18 Cb 0.65 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.76 1xai n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xai n GLY 19 N 1.01 -0.60 0.34 -1.41 0.00 -1.26 -4.41 105.19 98.86 1xai n GLY 19 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1xai n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xai h ALA 20 N 0.00 1.55 0.00 4.61 0.00 -1.86 -1.84 119.26 121.72 1xai h ALA 20 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xai h ALA 20 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xai h ALA 20 CO 0.00 -0.51 0.04 1.51 0.00 0.00 0.00 179.25 180.29 1xai n ILE 21 N -2.87 1.18 0.11 0.00 0.00 -1.26 -1.18 119.36 115.33 1xai n ILE 21 Ca -0.01 0.69 -0.18 0.00 0.00 0.00 0.00 62.75 63.25 1xai n ILE 21 Cb 0.54 -1.69 -0.14 0.00 0.00 0.00 0.00 39.64 38.35 1xai n ILE 21 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1xai h LYS 22 N 0.00 0.33 0.00 9.51 2.10 -1.77 -3.31 116.57 123.44 1xai h LYS 22 Ca 0.00 -0.57 0.00 0.00 -2.00 0.00 0.00 60.65 58.08 1xai h LYS 22 Cb 0.08 0.21 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1xai h LYS 22 CO 0.00 1.27 0.00 0.66 -2.00 0.00 0.00 179.45 179.38 1xai n TYR 23 N -3.57 0.00 0.17 0.07 4.01 -0.33 -3.04 117.16 114.48 1xai n TYR 23 Ca -0.11 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.53 1xai n TYR 23 Cb 1.04 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 40.02 1xai n TYR 23 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1xai h ILE 24 N 0.00 0.31 0.00 -0.72 1.08 -1.74 -3.34 117.51 113.11 1xai h ILE 24 Ca 0.00 -0.69 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1xai h ILE 24 Cb 0.00 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 34.25 1xai h ILE 24 CO 0.00 0.07 0.10 1.23 -0.69 0.00 0.00 178.15 178.86 1xai h GLY 25 N -1.03 0.00 0.78 5.37 0.00 -1.83 -2.31 103.07 104.05 1xai h GLY 25 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1xai h GLY 25 CO 0.08 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.32 1xai n THR 26 N -2.84 0.00 0.03 4.70 -2.24 -1.25 -3.49 114.28 109.18 1xai n THR 26 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1xai n THR 26 Cb 0.16 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 1xai n THR 26 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1xai n TYR 27 N -0.89 -0.02 -0.14 4.78 4.02 -0.87 -4.85 117.16 119.19 1xai n TYR 27 Ca 0.11 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.09 1xai n TYR 27 Cb 0.05 0.01 0.16 0.00 -0.02 0.00 0.00 39.34 39.54 1xai n TYR 27 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1xai n LEU 28 N -3.25 0.01 -4.22 7.72 4.77 -1.20 -1.52 117.00 119.31 1xai n LEU 28 Ca 0.00 0.69 -0.40 0.00 -0.03 0.00 0.00 56.01 56.26 1xai n LEU 28 Cb 0.24 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1xai n LEU 28 CO 0.00 -0.72 0.54 0.20 -1.33 0.00 0.00 177.39 176.08 1xai s ASN 29 N -4.94 6.62 0.00 -1.43 0.01 -1.26 -3.55 114.94 110.39 1xai s ASN 29 Ca -0.05 -3.63 0.00 0.00 -0.71 0.00 0.00 52.86 48.47 1xai s ASN 29 Cb 0.13 -2.05 0.00 0.00 0.41 0.00 0.00 41.25 39.73 1xai s ASN 29 CO 0.32 -0.24 0.00 0.00 -1.51 0.00 0.00 177.10 175.67 1xai n GLN 30 N 2.55 0.00 -4.32 -0.60 10.64 -0.58 -5.06 117.38 120.02 1xai n GLN 30 Ca 0.22 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 55.14 1xai n GLN 30 Cb 0.38 0.00 -0.17 0.00 -0.86 0.00 0.00 30.24 29.60 1xai n GLN 30 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1xai s PHE 31 N 0.00 1.41 0.48 2.61 0.08 -1.23 -5.02 117.98 116.31 1xai s PHE 31 Ca 0.00 -0.58 0.28 0.00 0.12 0.00 0.00 56.93 56.75 1xai s PHE 31 Cb 0.00 -1.09 1.34 0.00 -0.57 0.00 0.00 43.02 42.70 1xai s PHE 31 CO 0.00 -0.35 1.82 -0.44 -0.10 0.00 0.00 175.22 176.15 1xai h ASP 32 N 7.40 0.18 -5.00 1.36 3.32 -1.55 -3.43 116.42 118.70 1xai h ASP 32 Ca -0.31 0.03 0.01 0.00 0.02 0.00 0.00 57.03 56.78 1xai h ASP 32 Cb 1.17 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.62 1xai h ASP 32 CO 0.45 0.04 0.21 -1.10 -1.72 0.00 0.00 179.24 177.12 1xai s GLN 33 N -5.18 1.43 -0.06 3.56 -0.21 -1.25 -4.90 119.66 113.06 1xai s GLN 33 Ca -0.07 -0.64 -0.03 0.00 0.02 0.00 0.00 55.36 54.65 1xai s GLN 33 Cb 0.23 0.59 0.04 0.00 1.00 0.00 0.00 33.01 34.87 1xai s GLN 33 CO 0.79 -0.64 0.13 -1.12 -2.12 0.00 0.00 175.29 172.33 1xai s SER 34 N -2.80 -0.09 -0.25 5.90 0.01 -1.23 -1.45 113.70 113.79 1xai s SER 34 Ca 0.04 0.26 -0.02 0.00 1.31 0.00 0.00 55.95 57.54 1xai s SER 34 Cb -0.02 0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.39 1xai s SER 34 CO -0.07 -0.14 -0.06 -0.36 0.41 0.00 0.00 173.24 173.03 1xai s PHE 35 N 1.06 3.07 -0.55 2.43 0.08 -0.13 -1.50 117.98 122.44 1xai s PHE 35 Ca -0.08 -1.56 -0.21 0.00 0.12 0.00 0.00 56.93 55.20 1xai s PHE 35 Cb -0.11 -2.06 0.06 0.00 -0.57 0.00 0.00 43.02 40.34 1xai s PHE 35 CO -0.05 -0.73 0.77 -1.17 -0.10 0.00 0.00 175.22 173.94 1xai s LEU 36 N 1.32 4.72 -0.26 -0.37 0.20 0.58 -1.58 118.68 123.28 1xai s LEU 36 Ca 0.00 -0.85 -0.22 0.00 0.69 0.00 0.00 54.13 53.75 1xai s LEU 36 Cb -0.17 -2.52 -0.01 0.00 -0.43 0.00 0.00 46.19 43.06 1xai s LEU 36 CO -0.04 -1.09 0.73 -0.76 -0.29 0.00 0.00 176.35 174.90 1xai s LEU 37 N 3.18 4.08 -0.04 -0.68 1.02 -0.56 0.12 118.68 125.81 1xai s LEU 37 Ca 0.20 0.79 0.00 0.00 0.02 0.00 0.00 54.13 55.14 1xai s LEU 37 Cb -0.18 -3.01 0.03 0.00 0.02 0.00 0.00 46.19 43.04 1xai s LEU 37 CO 0.13 -0.48 -0.01 -0.51 0.02 0.00 0.00 176.35 175.50 1xai s ILE 38 N 2.72 0.28 0.41 -0.59 2.07 0.21 -2.23 121.20 124.08 1xai s ILE 38 Ca 0.30 0.04 -0.22 0.00 -1.41 0.00 0.00 60.65 59.36 1xai s ILE 38 Cb -0.15 -0.36 -0.14 0.00 0.13 0.00 0.00 42.46 41.93 1xai s ILE 38 CO 0.09 0.17 0.28 -0.67 -1.91 0.00 0.00 174.94 172.90 1xai n ASP 39 N 4.18 -2.07 0.22 4.50 -0.08 -1.24 -2.99 116.55 119.08 1xai n ASP 39 Ca -0.25 0.85 0.06 0.00 -1.51 0.00 0.00 54.79 53.94 1xai n ASP 39 Cb 0.50 -0.98 0.49 0.00 2.34 0.00 0.00 41.12 43.48 1xai n ASP 39 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1xai h GLU 40 N 0.50 0.00 0.14 -0.67 4.81 -1.67 -1.98 114.58 115.71 1xai h GLU 40 Ca -0.38 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.49 1xai h GLU 40 Cb 1.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.80 1xai h GLU 40 CO 0.49 0.24 -1.91 1.88 -0.73 0.00 0.00 179.01 178.98 1xai h TYR 41 N 0.00 0.55 -0.29 0.92 0.99 -1.89 -3.31 116.97 113.94 1xai h TYR 41 Ca -0.00 -0.40 0.00 0.00 2.00 0.00 0.00 58.73 60.33 1xai h TYR 41 Cb 0.47 -0.02 -0.01 0.00 1.00 0.00 0.00 36.73 38.16 1xai h TYR 41 CO 0.00 1.73 0.19 0.28 -0.00 0.00 0.00 178.16 180.37 1xai h VAL 42 N 0.08 1.08 -0.58 -2.88 2.07 -1.90 -0.70 116.25 113.41 1xai h VAL 42 Ca -0.39 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1xai h VAL 42 Cb 2.06 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1xai h VAL 42 CO 0.12 0.07 0.24 -1.13 0.02 0.00 0.00 177.57 176.89 1xai h ASN 43 N 0.40 0.76 0.46 0.57 -1.24 -1.47 -1.59 115.58 113.47 1xai h ASN 43 Ca 0.11 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 1xai h ASN 43 Cb -0.04 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 38.82 1xai h ASN 43 CO -0.02 0.68 -0.22 1.56 -1.29 0.00 0.00 177.43 178.14 1xai h GLN 44 N 0.83 -0.59 -0.25 6.67 1.08 -1.24 -3.19 115.11 118.43 1xai h GLN 44 Ca 0.20 0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.46 1xai h GLN 44 Cb 0.15 0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 1xai h GLN 44 CO -0.02 -0.39 -0.15 0.66 -0.95 0.00 0.00 178.83 177.98 1xai n TYR 45 N -4.46 -0.11 -2.76 2.96 4.01 -0.79 -2.42 117.16 113.59 1xai n TYR 45 Ca -0.08 0.31 -0.42 0.00 -0.16 0.00 0.00 57.90 57.55 1xai n TYR 45 Cb 0.24 -0.47 0.01 0.00 -0.31 0.00 0.00 39.34 38.81 1xai n TYR 45 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xai n PHE 46 N -3.49 2.50 0.20 -0.72 3.01 -0.61 -4.85 117.46 113.50 1xai n PHE 46 Ca 0.00 -2.59 -0.15 0.00 1.01 0.00 0.00 57.45 55.73 1xai n PHE 46 Cb 0.06 -1.30 -0.08 0.00 -0.01 0.00 0.00 39.48 38.15 1xai n PHE 46 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xai h ALA 47 N 4.89 -1.04 0.00 4.37 0.00 -1.46 -3.22 119.26 122.80 1xai h ALA 47 Ca 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1xai h ALA 47 Cb 0.47 0.70 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xai h ALA 47 CO 1.30 -1.09 -1.00 0.09 0.00 0.00 0.00 179.25 178.55 1xai n ASN 48 N -4.95 0.73 -0.24 0.00 4.13 -1.26 -4.30 115.26 109.37 1xai n ASN 48 Ca -0.09 0.18 0.24 0.00 1.68 0.00 0.00 54.58 56.59 1xai n ASN 48 Cb 0.37 0.54 0.44 0.00 -1.54 0.00 0.00 39.78 39.59 1xai n ASN 48 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1xai n LYS 49 N -2.43 -0.05 -2.41 3.52 4.76 -1.21 -0.39 118.16 119.95 1xai n LYS 49 Ca 0.01 1.05 -0.31 0.00 -2.87 0.00 0.00 58.31 56.19 1xai n LYS 49 Cb 0.51 -1.87 0.01 0.00 -1.84 0.00 0.00 35.03 31.83 1xai n LYS 49 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1xai n PHE 50 N -4.72 3.37 -0.08 2.13 3.72 -1.26 -4.55 117.46 116.06 1xai n PHE 50 Ca 0.28 -3.01 -0.10 0.00 -0.05 0.00 0.00 57.45 54.57 1xai n PHE 50 Cb 0.96 -0.43 -0.11 0.00 -0.94 0.00 0.00 39.48 38.96 1xai n PHE 50 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1xai n ASP 51 N -0.45 1.75 0.18 4.37 10.43 0.48 -2.95 116.55 130.35 1xai n ASP 51 Ca 0.42 -0.04 0.18 0.00 2.57 0.00 0.00 54.79 57.92 1xai n ASP 51 Cb 0.51 0.41 0.79 0.00 1.84 0.00 0.00 41.12 44.66 1xai n ASP 51 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 1xai h ASP 52 N 0.00 0.00 0.00 -2.24 3.45 -1.80 -2.52 116.42 113.31 1xai h ASP 52 Ca -0.42 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.04 1xai h ASP 52 Cb 1.83 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.60 1xai h ASP 52 CO -0.01 0.00 -0.33 2.30 -1.57 0.00 0.00 179.24 179.63 1xai n ILE 53 N -3.47 0.00 0.03 0.35 -6.64 -1.26 -4.82 119.36 103.55 1xai n ILE 53 Ca 0.04 -0.20 -0.13 0.00 -1.77 0.00 0.00 62.75 60.69 1xai n ILE 53 Cb 0.50 0.72 -0.14 0.00 -1.44 0.00 0.00 39.64 39.28 1xai n ILE 53 CO 0.00 0.00 0.00 0.25 -1.77 0.00 0.00 176.55 175.03 1xai h LEU 54 N 0.00 0.19 -2.54 7.28 6.46 -1.36 -3.35 115.31 121.98 1xai h LEU 54 Ca 0.00 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 1xai h LEU 54 Cb 0.00 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 1xai h LEU 54 CO 0.00 1.26 0.00 -1.54 -0.62 0.00 0.00 178.44 177.54 1xai n SER 55 N -3.29 2.02 -5.01 1.25 3.41 -0.98 -4.64 113.62 106.38 1xai n SER 55 Ca -0.16 -1.30 -0.18 0.00 -0.26 0.00 0.00 58.87 56.98 1xai n SER 55 Cb 1.03 -0.38 0.02 0.00 -0.26 0.00 0.00 64.21 64.62 1xai n SER 55 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1xai s TYR 56 N 0.65 2.59 -0.87 7.33 4.12 -1.26 -5.01 117.35 124.91 1xai s TYR 56 Ca 0.00 -0.41 0.27 0.00 0.02 0.00 0.00 57.07 56.95 1xai s TYR 56 Cb 0.00 -2.40 1.02 0.00 -1.52 0.00 0.00 41.96 39.07 1xai s TYR 56 CO 0.00 -0.59 1.84 0.39 0.02 0.00 0.00 175.55 177.21 1xai n GLU 57 N -1.97 0.12 -0.10 -0.62 1.02 -1.26 -4.04 120.64 113.79 1xai n GLU 57 Ca 0.09 0.12 -0.18 0.00 -0.02 0.00 0.00 57.16 57.17 1xai n GLU 57 Cb 0.59 -1.64 -0.08 0.00 -0.02 0.00 0.00 31.44 30.29 1xai n GLU 57 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xai n ASN 58 N -1.85 1.94 -4.73 1.62 5.03 -1.26 -5.00 115.26 111.01 1xai n ASN 58 Ca 0.06 0.09 -0.42 0.00 0.87 0.00 0.00 54.58 55.18 1xai n ASN 58 Cb 0.37 -0.47 -0.03 0.00 -1.02 0.00 0.00 39.78 38.63 1xai n ASN 58 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1xai s VAL 59 N -2.38 2.68 -0.03 2.41 1.01 -1.25 -3.52 120.40 119.32 1xai s VAL 59 Ca -0.28 0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.26 1xai s VAL 59 Cb 0.09 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 1xai s VAL 59 CO 0.40 0.06 -0.14 -1.00 0.00 0.00 0.00 175.10 174.42 1xai s HIS 60 N 0.67 1.36 -0.13 5.22 3.76 -0.56 -4.65 115.29 120.96 1xai s HIS 60 Ca 0.65 -0.36 -0.19 0.00 -0.15 0.00 0.00 55.06 55.01 1xai s HIS 60 Cb -0.43 -0.93 -0.04 0.00 1.11 0.00 0.00 32.58 32.30 1xai s HIS 60 CO 0.36 -0.12 0.52 0.21 -0.85 0.00 0.00 174.74 174.86 1xai s LYS 61 N 0.05 4.33 -0.19 1.40 2.20 -1.26 -0.31 119.74 125.97 1xai s LYS 61 Ca -0.02 0.51 -0.00 0.00 -0.36 0.00 0.00 55.97 56.09 1xai s LYS 61 Cb -0.10 -3.46 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 1xai s LYS 61 CO 0.01 0.08 -0.15 0.08 -0.36 0.00 0.00 175.35 175.02 1xai s VAL 62 N 0.85 2.53 -0.34 4.02 1.01 0.33 -4.91 120.40 123.89 1xai s VAL 62 Ca 0.27 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 1xai s VAL 62 Cb -0.15 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1xai s VAL 62 CO 0.11 0.50 0.17 -0.63 0.00 0.00 0.00 175.10 175.26 1xai s ILE 63 N 1.24 4.52 0.53 2.22 1.01 -1.26 -0.62 121.20 128.85 1xai s ILE 63 Ca 0.03 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.11 1xai s ILE 63 Cb -0.14 -3.42 0.06 0.00 0.01 0.00 0.00 42.46 38.98 1xai s ILE 63 CO -0.08 -0.08 0.73 0.27 0.00 0.00 0.00 174.94 175.78 1xai s ILE 64 N 1.57 2.42 0.67 2.92 -4.36 -1.16 -4.94 121.20 118.31 1xai s ILE 64 Ca 0.03 -0.99 -0.17 0.00 -0.26 0.00 0.00 60.65 59.27 1xai s ILE 64 Cb -0.18 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.10 1xai s ILE 64 CO 0.06 0.00 1.20 -2.84 0.24 0.00 0.00 174.94 173.60 1xai s PRO 65 N -4.58 2.55 -0.05 0.37 0.02 -1.26 -2.43 135.00 129.62 1xai s PRO 65 Ca 0.60 1.76 -0.30 0.00 0.02 0.00 0.00 61.00 63.08 1xai s PRO 65 Cb -0.07 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.50 1xai s PRO 65 CO 0.37 -1.52 1.80 0.00 -0.33 0.00 0.00 177.00 177.33 1xai s ALA 66 N -1.85 3.50 0.00 -1.55 0.00 -1.26 -4.31 121.76 116.30 1xai s ALA 66 Ca 0.75 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1xai s ALA 66 Cb -0.29 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.01 1xai s ALA 66 CO 0.40 -1.62 0.00 0.41 0.00 0.00 0.00 175.76 174.95 1xai n GLY 67 N 4.45 1.82 0.00 0.00 0.00 -1.26 -2.81 105.19 107.39 1xai n GLY 67 Ca 0.19 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1xai n GLY 67 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xai n GLU 68 N 8.95 0.00 -0.04 1.61 4.07 -1.26 -1.11 120.64 132.86 1xai n GLU 68 Ca 0.00 0.14 0.12 0.00 -0.06 0.00 0.00 57.16 57.36 1xai n GLU 68 Cb 0.00 -1.62 0.47 0.00 -0.06 0.00 0.00 31.44 30.22 1xai n GLU 68 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1xai n LYS 69 N -1.02 1.66 -0.02 5.31 5.02 -1.12 -3.61 118.16 124.37 1xai n LYS 69 Ca 0.00 -0.98 0.04 0.00 -2.02 0.00 0.00 58.31 55.35 1xai n LYS 69 Cb 0.12 -1.44 -0.12 0.00 -0.02 0.00 0.00 35.03 33.58 1xai n LYS 69 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1xai n THR 70 N 0.19 0.23 -0.94 -0.18 5.66 -0.26 -4.70 114.28 114.27 1xai n THR 70 Ca 0.18 -0.40 -0.21 0.00 -3.05 0.00 0.00 64.05 60.57 1xai n THR 70 Cb 0.33 -0.03 -0.08 0.00 -1.55 0.00 0.00 70.33 69.00 1xai n THR 70 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1xai n LYS 71 N -2.14 2.32 -4.43 1.09 5.02 -1.24 -4.59 118.16 114.19 1xai n LYS 71 Ca -0.07 -1.34 -0.21 0.00 -2.02 0.00 0.00 58.31 54.66 1xai n LYS 71 Cb 0.52 -2.28 -0.10 0.00 -0.02 0.00 0.00 35.03 33.16 1xai n LYS 71 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1xai s THR 72 N 2.03 1.65 0.10 -0.18 -4.23 -1.26 -0.31 115.64 113.43 1xai s THR 72 Ca 0.56 -2.12 -0.20 0.00 -1.18 0.00 0.00 61.69 58.75 1xai s THR 72 Cb 0.20 -2.47 -0.08 0.00 1.34 0.00 0.00 72.50 71.50 1xai s THR 72 CO -0.02 -0.28 1.66 -0.26 -0.54 0.00 0.00 174.62 175.18 1xai h PHE 73 N 2.26 0.32 -0.39 3.99 0.04 -1.89 -2.47 116.94 118.80 1xai h PHE 73 Ca -0.40 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.43 1xai h PHE 73 Cb 1.23 -0.10 -0.07 0.00 2.20 0.00 0.00 35.95 39.21 1xai h PHE 73 CO 0.68 0.33 -0.09 0.93 -0.60 0.00 0.00 178.31 179.56 1xai h GLU 74 N 0.22 0.01 -0.14 1.51 3.07 -1.97 -1.25 114.58 116.03 1xai h GLU 74 Ca 0.07 -0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.85 1xai h GLU 74 Cb 0.13 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1xai h GLU 74 CO -0.01 0.01 -0.29 0.37 -1.40 0.00 0.00 179.01 177.69 1xai h GLN 75 N 0.01 0.27 -0.26 2.33 5.75 -1.81 -2.86 115.11 118.54 1xai h GLN 75 Ca 0.19 -0.10 0.04 0.00 -0.15 0.00 0.00 58.65 58.63 1xai h GLN 75 Cb 0.29 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 1xai h GLN 75 CO -0.40 0.54 0.01 -0.92 -2.65 0.00 0.00 178.83 175.41 1xai h TYR 76 N 0.24 0.01 0.75 3.99 5.03 -0.75 -1.65 116.97 124.58 1xai h TYR 76 Ca 0.03 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.33 1xai h TYR 76 Cb 0.64 0.04 0.01 0.00 1.55 0.00 0.00 36.73 38.96 1xai h TYR 76 CO 0.01 -0.03 -0.36 0.37 -1.32 0.00 0.00 178.16 176.83 1xai h GLN 77 N 0.09 -0.97 -0.47 1.82 4.15 -1.29 -2.48 115.11 115.97 1xai h GLN 77 Ca 0.12 0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.66 1xai h GLN 77 Cb 0.15 0.22 -0.07 0.00 0.21 0.00 0.00 27.48 27.99 1xai h GLN 77 CO -0.20 -0.63 -0.42 1.49 -1.93 0.00 0.00 178.83 177.15 1xai h GLU 78 N -1.16 -0.17 -0.87 1.69 4.81 -1.44 0.15 114.58 117.58 1xai h GLU 78 Ca -0.10 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.25 1xai h GLU 78 Cb 0.79 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.13 1xai h GLU 78 CO 0.17 -0.12 0.51 1.15 -0.73 0.00 0.00 179.01 179.99 1xai h THR 79 N -0.18 0.89 0.34 0.32 2.02 -1.37 0.41 112.91 115.34 1xai h THR 79 Ca 0.08 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1xai h THR 79 Cb 0.39 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1xai h THR 79 CO -0.54 0.15 -0.16 -0.07 0.37 0.00 0.00 175.52 175.27 1xai h LEU 80 N 0.82 -0.39 -0.58 2.58 3.38 -0.86 -0.30 115.31 119.96 1xai h LEU 80 Ca 0.43 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.33 1xai h LEU 80 Cb 0.43 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1xai h LEU 80 CO -0.27 -0.05 0.25 -0.33 0.09 0.00 0.00 178.44 178.14 1xai h GLU 81 N -0.76 0.46 -0.05 1.13 4.39 -0.40 0.20 114.58 119.56 1xai h GLU 81 Ca -0.05 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.66 1xai h GLU 81 Cb 0.51 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 1xai h GLU 81 CO 0.08 0.30 -0.16 -0.92 -1.16 0.00 0.00 179.01 177.14 1xai h TYR 82 N 0.47 -0.43 0.31 4.33 5.03 -0.13 -2.21 116.97 124.34 1xai h TYR 82 Ca 0.27 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.60 1xai h TYR 82 Cb 0.27 0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 1xai h TYR 82 CO -0.13 -0.24 -0.40 0.82 -1.32 0.00 0.00 178.16 176.88 1xai h ILE 83 N -0.25 0.00 -1.10 1.81 5.03 0.35 -2.85 117.51 120.51 1xai h ILE 83 Ca 0.07 0.00 0.32 0.00 -0.12 0.00 0.00 64.86 65.13 1xai h ILE 83 Cb 0.34 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.01 1xai h ILE 83 CO -0.19 0.00 0.69 -0.07 -0.68 0.00 0.00 178.15 177.90 1xai h LEU 84 N -0.74 0.43 0.00 1.44 3.38 -0.55 -0.82 115.31 118.45 1xai h LEU 84 Ca -0.04 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xai h LEU 84 Cb 0.66 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1xai h LEU 84 CO -0.10 -0.03 0.00 -1.54 0.09 0.00 0.00 178.44 176.86 1xai n SER 85 N -4.76 0.00 -0.65 -0.43 3.41 -0.84 -0.68 113.62 109.67 1xai n SER 85 Ca 0.30 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.98 1xai n SER 85 Cb 1.03 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 65.19 1xai n SER 85 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xai n HIS 86 N -0.55 0.63 -4.10 7.33 8.25 -0.31 -4.99 115.22 121.47 1xai n HIS 86 Ca 0.00 -1.01 -0.47 0.00 -0.26 0.00 0.00 57.72 55.97 1xai n HIS 86 Cb 0.00 -0.28 0.02 0.00 1.12 0.00 0.00 29.99 30.85 1xai n HIS 86 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1xai n HIS 87 N -0.89 -1.36 -0.37 4.41 -0.00 0.14 -4.92 115.22 112.21 1xai n HIS 87 Ca 0.21 0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.99 1xai n HIS 87 Cb 0.82 -2.76 0.00 0.00 -0.00 0.00 0.00 29.99 28.05 1xai n HIS 87 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 1xai n VAL 88 N -5.09 0.00 -4.13 1.59 0.24 -1.26 -5.10 118.33 104.58 1xai n VAL 88 Ca -0.12 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.07 1xai n VAL 88 Cb 0.57 -0.85 -0.08 0.00 -1.47 0.00 0.00 33.84 32.00 1xai n VAL 88 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1xai s THR 89 N -0.88 0.00 -0.67 3.34 -4.23 -1.26 -5.02 115.64 106.93 1xai s THR 89 Ca 0.00 -1.80 0.19 0.00 -1.18 0.00 0.00 61.69 58.91 1xai s THR 89 Cb 0.00 -2.41 0.19 0.00 1.34 0.00 0.00 72.50 71.62 1xai s THR 89 CO 0.00 0.00 1.59 0.54 -0.54 0.00 0.00 174.62 176.21 1xai n ARG 90 N -0.32 0.11 -2.45 3.99 1.74 -1.26 -3.10 116.66 115.37 1xai n ARG 90 Ca 0.01 0.38 -0.34 0.00 -0.77 0.00 0.00 57.85 57.13 1xai n ARG 90 Cb 0.64 -1.73 0.01 0.00 -1.02 0.00 0.00 32.46 30.36 1xai n ARG 90 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1xai n ASN 91 N -1.95 6.17 -4.66 0.55 5.15 -1.26 -4.47 115.26 114.80 1xai n ASN 91 Ca 0.02 -3.74 -0.24 0.00 -0.60 0.00 0.00 54.58 50.02 1xai n ASN 91 Cb 0.18 -0.84 -0.08 0.00 -0.53 0.00 0.00 39.78 38.52 1xai n ASN 91 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1xai s THR 92 N -4.88 2.89 0.04 -0.44 2.01 -1.18 -1.42 115.64 112.65 1xai s THR 92 Ca 0.47 -1.90 0.04 0.00 0.31 0.00 0.00 61.69 60.62 1xai s THR 92 Cb 0.33 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 1xai s THR 92 CO -0.23 -0.23 -0.13 0.00 -0.69 0.00 0.00 174.62 173.34 1xai s ALA 93 N -2.46 1.04 -0.20 7.40 0.00 -0.53 -1.08 121.76 125.94 1xai s ALA 93 Ca 0.35 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 1xai s ALA 93 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1xai s ALA 93 CO 0.20 0.18 -0.02 0.42 0.00 0.00 0.00 175.76 176.54 1xai s ILE 94 N -0.90 3.79 -0.37 0.00 -1.09 0.19 -0.96 121.20 121.87 1xai s ILE 94 Ca -0.00 -0.37 -0.10 0.00 -2.23 0.00 0.00 60.65 57.95 1xai s ILE 94 Cb -0.08 -2.71 0.03 0.00 -1.58 0.00 0.00 42.46 38.13 1xai s ILE 94 CO 0.01 0.43 0.20 -0.63 -1.23 0.00 0.00 174.94 173.72 1xai s ILE 95 N 1.04 4.45 -0.15 2.92 1.09 -0.62 -0.79 121.20 129.14 1xai s ILE 95 Ca 0.02 -0.94 -0.22 0.00 -1.10 0.00 0.00 60.65 58.41 1xai s ILE 95 Cb -0.14 -3.51 -0.03 0.00 -1.06 0.00 0.00 42.46 37.72 1xai s ILE 95 CO 0.01 -0.25 0.68 0.00 -0.10 0.00 0.00 174.94 175.28 1xai s ALA 96 N 1.53 3.48 -0.40 9.38 0.00 -0.20 -1.49 121.76 134.05 1xai s ALA 96 Ca 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1xai s ALA 96 Cb -0.19 -2.99 0.13 0.00 0.00 0.00 0.00 23.12 20.06 1xai s ALA 96 CO 0.06 -0.41 0.21 0.08 0.00 0.00 0.00 175.76 175.70 1xai s VAL 97 N 1.56 1.04 -3.60 0.00 1.01 -0.95 -0.27 120.40 119.20 1xai s VAL 97 Ca 0.33 -2.16 0.00 0.00 0.00 0.00 0.00 61.98 60.15 1xai s VAL 97 Cb -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1xai s VAL 97 CO 0.13 -0.87 0.00 0.61 0.00 0.00 0.00 175.10 174.96 1xai n GLY 98 N 3.90 -0.51 0.00 4.51 0.00 -1.19 -3.62 105.19 108.27 1xai n GLY 98 Ca 0.07 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1xai n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xai n GLY 99 N 0.00 -2.72 0.12 -0.02 0.00 -1.26 -2.72 105.19 98.59 1xai n GLY 99 Ca 0.00 -1.31 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 1xai n GLY 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xai h GLY 100 N -0.02 0.20 0.75 -0.02 0.00 -1.95 -2.88 103.07 99.15 1xai h GLY 100 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1xai h GLY 100 CO 0.00 0.32 -0.13 0.00 0.00 0.00 0.00 176.54 176.73 1xai h ALA 101 N 0.98 -0.36 0.00 3.60 0.00 -1.91 0.61 119.26 122.18 1xai h ALA 101 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1xai h ALA 101 Cb 1.52 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1xai h ALA 101 CO 0.13 -0.57 -0.05 1.79 0.00 0.00 0.00 179.25 180.55 1xai h THR 102 N -0.61 0.46 -0.04 0.00 1.35 -1.82 -2.14 112.91 110.11 1xai h THR 102 Ca -0.04 -0.23 -0.05 0.00 -0.55 0.00 0.00 66.41 65.55 1xai h THR 102 Cb 0.44 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1xai h THR 102 CO 0.06 0.05 -0.16 1.23 -0.25 0.00 0.00 175.52 176.45 1xai h GLY 103 N 0.40 0.20 1.00 5.82 0.00 -1.21 -1.68 103.07 107.60 1xai h GLY 103 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1xai h GLY 103 CO 0.01 0.24 0.22 -0.55 0.00 0.00 0.00 176.54 176.46 1xai h ASP 104 N -0.38 0.39 0.59 0.19 3.45 -0.50 -1.25 116.42 118.92 1xai h ASP 104 Ca -0.01 -0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.41 1xai h ASP 104 Cb 0.80 -0.10 0.01 0.00 -0.56 0.00 0.00 39.33 39.48 1xai h ASP 104 CO 0.03 0.29 -0.29 0.15 -1.57 0.00 0.00 179.24 177.86 1xai h PHE 105 N 0.45 -0.74 -1.03 4.55 3.57 -1.40 -0.98 116.94 121.37 1xai h PHE 105 Ca 0.12 -0.02 0.27 0.00 3.53 0.00 0.00 57.97 61.88 1xai h PHE 105 Cb -0.04 0.24 -0.07 0.00 2.79 0.00 0.00 35.95 38.87 1xai h PHE 105 CO -0.05 -0.46 0.70 0.00 -2.23 0.00 0.00 178.31 176.27 1xai h ALA 106 N -1.62 2.56 -0.33 2.41 0.00 -1.34 0.17 119.26 121.12 1xai h ALA 106 Ca -0.08 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1xai h ALA 106 Cb 0.61 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1xai h ALA 106 CO 0.13 -0.90 -0.43 0.78 0.00 0.00 0.00 179.25 178.83 1xai h GLY 107 N 0.23 0.90 2.00 0.00 0.00 -1.02 0.10 103.07 105.28 1xai h GLY 107 Ca 0.54 -0.95 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 1xai h GLY 107 CO -0.15 0.86 -0.45 -2.75 0.00 0.00 0.00 176.54 174.04 1xai h PHE 108 N 0.67 0.00 0.22 5.60 3.57 0.44 0.13 116.94 127.57 1xai h PHE 108 Ca 0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1xai h PHE 108 Cb 1.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1xai h PHE 108 CO 0.06 0.45 -0.11 0.28 -2.23 0.00 0.00 178.31 176.76 1xai h VAL 109 N 0.00 0.66 -0.99 1.41 2.07 -0.83 -3.03 116.25 115.54 1xai h VAL 109 Ca -0.00 -0.98 0.07 0.00 0.82 0.00 0.00 66.70 66.60 1xai h VAL 109 Cb 1.07 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.87 1xai h VAL 109 CO 0.06 0.17 0.64 0.00 0.02 0.00 0.00 177.57 178.45 1xai h ALA 110 N -0.47 1.43 0.00 1.67 0.00 -0.92 -0.15 119.26 120.82 1xai h ALA 110 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xai h ALA 110 Cb 0.50 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xai h ALA 110 CO 0.05 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1xai h ALA 111 N 1.47 1.00 -0.00 0.00 0.00 -0.80 -1.14 119.26 119.79 1xai h ALA 111 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1xai h ALA 111 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xai h ALA 111 CO -0.17 0.00 -0.14 0.25 0.00 0.00 0.00 179.25 179.19 1xai n THR 112 N -2.98 0.00 -1.98 0.00 -2.24 -0.75 -3.42 114.28 102.90 1xai n THR 112 Ca -0.00 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 1xai n THR 112 Cb 0.24 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 1xai n THR 112 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xai s LEU 113 N -1.87 4.34 -1.27 3.22 2.96 -0.14 -2.31 118.68 123.60 1xai s LEU 113 Ca 0.02 2.30 -0.10 0.00 -0.22 0.00 0.00 54.13 56.13 1xai s LEU 113 Cb 0.03 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.26 1xai s LEU 113 CO 0.13 -0.91 0.48 0.18 -1.32 0.00 0.00 176.35 174.90 1xai n LEU 114 N 6.75 -1.42 -0.50 -0.68 4.77 -1.26 0.57 117.00 125.23 1xai n LEU 114 Ca 0.17 -0.42 -0.07 0.00 -0.03 0.00 0.00 56.01 55.66 1xai n LEU 114 Cb 0.42 -2.03 -0.03 0.00 -2.33 0.00 0.00 43.42 39.46 1xai n LEU 114 CO 0.63 0.15 -0.06 0.54 -1.33 0.00 0.00 177.39 177.31 1xai n ARG 115 N -3.70 -0.72 0.00 3.23 1.74 -0.98 -4.81 116.66 111.42 1xai n ARG 115 Ca -0.00 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 1xai n ARG 115 Cb 0.53 -4.47 0.00 0.00 -1.02 0.00 0.00 32.46 27.50 1xai n ARG 115 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xai n GLY 116 N -1.66 3.34 0.00 -0.13 0.00 0.19 -4.82 105.19 102.11 1xai n GLY 116 Ca -0.07 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1xai n GLY 116 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xai n VAL 117 N 0.00 0.00 -3.09 1.61 0.24 -0.43 -4.89 118.33 111.76 1xai n VAL 117 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.91 1xai n VAL 117 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 1xai n VAL 117 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1xai s HIS 118 N -0.13 3.82 -0.16 6.34 3.76 -0.24 -4.79 115.29 123.90 1xai s HIS 118 Ca 0.00 1.45 0.00 0.00 -0.15 0.00 0.00 55.06 56.37 1xai s HIS 118 Cb 0.00 -2.68 0.02 0.00 1.11 0.00 0.00 32.58 31.03 1xai s HIS 118 CO 0.00 0.48 -0.15 0.12 -0.85 0.00 0.00 174.74 174.34 1xai s PHE 119 N -0.84 2.27 -0.33 1.40 5.99 -1.26 0.57 117.98 125.78 1xai s PHE 119 Ca 0.34 -1.31 -0.01 0.00 0.00 0.00 0.00 56.93 55.94 1xai s PHE 119 Cb -0.21 -1.64 0.07 0.00 0.00 0.00 0.00 43.02 41.24 1xai s PHE 119 CO 0.23 -0.69 0.04 0.42 -0.00 0.00 0.00 175.22 175.22 1xai s ILE 120 N 1.45 2.95 -0.15 3.12 1.09 0.02 0.18 121.20 129.87 1xai s ILE 120 Ca 0.04 -1.64 -0.29 0.00 -1.10 0.00 0.00 60.65 57.67 1xai s ILE 120 Cb -0.13 -2.82 -0.00 0.00 -1.06 0.00 0.00 42.46 38.45 1xai s ILE 120 CO -0.11 -0.28 1.01 -1.10 -0.10 0.00 0.00 174.94 174.36 1xai s GLN 121 N 1.19 4.36 -0.52 2.79 -1.52 -0.72 -1.04 119.66 124.20 1xai s GLN 121 Ca -0.01 1.36 0.07 0.00 -1.95 0.00 0.00 55.36 54.83 1xai s GLN 121 Cb -0.20 -3.58 0.26 0.00 -0.22 0.00 0.00 33.01 29.27 1xai s GLN 121 CO -0.03 -0.42 0.68 0.28 -0.25 0.00 0.00 175.29 175.56 1xai n VAL 122 N 4.81 1.12 -1.62 1.09 0.31 0.62 0.92 118.33 125.59 1xai n VAL 122 Ca 0.10 -4.76 -0.37 0.00 -0.01 0.00 0.00 64.34 59.29 1xai n VAL 122 Cb 0.48 -1.87 0.06 0.00 -0.91 0.00 0.00 33.84 31.60 1xai n VAL 122 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1xai n PRO 123 N 0.93 0.89 -0.09 5.55 -0.04 -1.25 -3.19 135.00 137.80 1xai n PRO 123 Ca 0.26 0.35 0.01 0.00 -0.04 0.00 0.00 63.50 64.09 1xai n PRO 123 Cb 0.47 -2.30 0.01 0.00 -0.04 0.00 0.00 33.50 31.64 1xai n PRO 123 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xai n THR 124 N -1.95 0.40 -4.44 0.52 -2.24 -1.10 -4.41 114.28 101.06 1xai n THR 124 Ca 0.15 -0.43 -0.22 0.00 -2.27 0.00 0.00 64.05 61.28 1xai n THR 124 Cb 0.48 0.70 -0.09 0.00 -2.10 0.00 0.00 70.33 69.32 1xai n THR 124 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xai s THR 125 N -0.47 0.70 0.05 4.28 -1.32 -1.26 -4.62 115.64 113.00 1xai s THR 125 Ca 0.02 -2.00 -0.14 0.00 -1.21 0.00 0.00 61.69 58.37 1xai s THR 125 Cb 0.02 -2.53 -0.32 0.00 -1.51 0.00 0.00 72.50 68.15 1xai s THR 125 CO 0.00 0.00 1.06 0.40 -2.21 0.00 0.00 174.62 173.87 1xai h ILE 126 N 2.03 1.31 0.00 5.08 2.04 -1.92 -3.27 117.51 122.77 1xai h ILE 126 Ca -0.37 -2.65 -0.04 0.00 1.00 0.00 0.00 64.86 62.80 1xai h ILE 126 Cb 1.26 2.90 -0.01 0.00 -0.74 0.00 0.00 36.82 40.23 1xai h ILE 126 CO 0.60 0.80 -0.17 0.25 0.00 0.00 0.00 178.15 179.62 1xai h LEU 127 N 0.19 0.00 0.00 1.44 6.46 -1.85 -2.06 115.31 119.49 1xai h LEU 127 Ca -0.22 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1xai h LEU 127 Cb 2.05 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.98 1xai h LEU 127 CO 0.26 0.17 0.00 0.00 -0.62 0.00 0.00 178.44 178.25 1xai n ALA 128 N -2.45 2.39 0.20 1.25 0.00 -1.23 -1.40 120.51 119.28 1xai n ALA 128 Ca -0.02 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.40 1xai n ALA 128 Cb 0.25 -1.27 0.28 0.00 0.00 0.00 0.00 19.45 18.70 1xai n ALA 128 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1xai h HIS 129 N 0.00 0.00 0.00 0.00 2.07 -1.52 -2.69 115.15 113.01 1xai h HIS 129 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1xai h HIS 129 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1xai h HIS 129 CO 0.00 0.22 -0.14 -3.47 -3.07 0.00 0.00 177.93 171.46 1xai n ASP 130 N -3.22 0.49 0.12 3.10 2.03 -0.49 -4.48 116.55 114.10 1xai n ASP 130 Ca 0.02 0.34 0.20 0.00 0.52 0.00 0.00 54.79 55.87 1xai n ASP 130 Cb 0.53 -0.60 0.75 0.00 -0.72 0.00 0.00 41.12 41.09 1xai n ASP 130 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1xai h SER 131 N -0.27 0.00 0.44 1.67 4.64 -1.61 -2.10 113.55 116.32 1xai h SER 131 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xai h SER 131 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1xai h SER 131 CO 0.00 0.00 -0.10 -1.54 -0.87 0.00 0.00 176.83 174.32 1xai n SER 132 N -3.65 0.34 -4.35 4.97 3.41 -1.01 -4.78 113.62 108.54 1xai n SER 132 Ca 0.06 -0.42 -0.31 0.00 -0.26 0.00 0.00 58.87 57.94 1xai n SER 132 Cb 0.58 -0.13 -0.15 0.00 -0.26 0.00 0.00 64.21 64.25 1xai n SER 132 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xai s VAL 133 N -2.54 2.32 0.00 -3.33 1.01 -0.79 -4.68 120.40 112.39 1xai s VAL 133 Ca 0.27 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1xai s VAL 133 Cb 0.20 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1xai s VAL 133 CO 0.48 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.78 1xai n GLY 134 N 2.42 2.20 2.37 4.51 0.00 -1.26 -4.69 105.19 110.74 1xai n GLY 134 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1xai n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xai n GLY 135 N -0.39 0.87 3.64 -0.02 0.00 -1.26 -4.84 105.19 103.18 1xai n GLY 135 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1xai n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xai s LYS 136 N -0.17 4.03 0.39 1.61 1.02 -1.26 -1.20 119.74 124.16 1xai s LYS 136 Ca 0.00 1.28 0.04 0.00 0.02 0.00 0.00 55.97 57.31 1xai s LYS 136 Cb 0.00 -3.81 -0.05 0.00 -0.52 0.00 0.00 37.83 33.46 1xai s LYS 136 CO 0.00 -0.96 0.07 0.14 -0.92 0.00 0.00 175.35 173.68 1xai s VAL 137 N 3.95 1.09 -5.00 3.17 -7.23 -0.86 -4.79 120.40 110.73 1xai s VAL 137 Ca 0.52 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1xai s VAL 137 Cb -0.16 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.19 1xai s VAL 137 CO 0.18 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 1xai n GLY 138 N -0.87 -0.79 2.84 2.32 0.00 -0.49 -2.19 105.19 106.01 1xai n GLY 138 Ca -0.06 -1.65 -0.24 0.00 0.00 0.00 0.00 46.02 44.07 1xai n GLY 138 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xai n ILE 139 N -0.34 0.00 -3.93 -0.61 -5.35 0.29 -3.35 119.36 106.06 1xai n ILE 139 Ca 0.00 -1.93 -0.21 0.00 -0.27 0.00 0.00 62.75 60.34 1xai n ILE 139 Cb 0.00 0.52 -0.04 0.00 -1.74 0.00 0.00 39.64 38.38 1xai n ILE 139 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1xai s ASN 140 N -3.15 5.41 0.52 7.28 0.01 0.57 -2.81 114.94 122.76 1xai s ASN 140 Ca 0.07 -0.38 0.03 0.00 -0.71 0.00 0.00 52.86 51.87 1xai s ASN 140 Cb 0.00 -1.16 0.00 0.00 0.41 0.00 0.00 41.25 40.51 1xai s ASN 140 CO 0.05 -0.23 0.16 -0.55 -1.51 0.00 0.00 177.10 175.02 1xai s SER 141 N -3.94 4.32 0.32 -1.22 0.15 0.39 -4.54 113.70 109.18 1xai s SER 141 Ca 0.38 -1.47 0.26 0.00 0.70 0.00 0.00 55.95 55.81 1xai s SER 141 Cb -0.07 0.41 0.81 0.00 -1.71 0.00 0.00 66.02 65.47 1xai s SER 141 CO 0.26 -0.92 1.75 0.11 1.20 0.00 0.00 173.24 175.64 1xai h LYS 142 N 1.15 0.00 0.00 5.44 1.57 -2.01 -3.08 116.57 119.64 1xai h LYS 142 Ca -0.41 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.24 1xai h LYS 142 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 1xai h LYS 142 CO 0.68 0.00 -1.08 1.96 -0.57 0.00 0.00 179.45 180.44 1xai h GLN 143 N 0.00 0.00 0.00 3.15 1.08 -2.02 -3.50 115.11 113.82 1xai h GLN 143 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1xai h GLN 143 Cb 0.69 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1xai h GLN 143 CO 0.00 0.31 0.00 0.41 -0.95 0.00 0.00 178.83 178.60 1xai n GLY 144 N 1.32 -2.03 3.76 3.46 0.00 -1.17 -4.92 105.19 105.62 1xai n GLY 144 Ca -0.05 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 1xai n GLY 144 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xai s LYS 145 N -1.83 4.63 -1.40 1.61 2.20 -1.26 -0.46 119.74 123.22 1xai s LYS 145 Ca 0.00 1.59 -0.00 0.00 -0.36 0.00 0.00 55.97 57.20 1xai s LYS 145 Cb 0.00 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1xai s LYS 145 CO 0.00 0.26 0.46 0.09 -0.36 0.00 0.00 175.35 175.81 1xai n ASN 146 N 0.99 -0.48 -0.39 1.43 3.02 -1.18 -4.88 115.26 113.78 1xai n ASN 146 Ca 0.00 -0.98 0.12 0.00 -0.03 0.00 0.00 54.58 53.69 1xai n ASN 146 Cb 0.47 -3.20 0.11 0.00 -0.61 0.00 0.00 39.78 36.55 1xai n ASN 146 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1xai n LEU 147 N -4.38 1.65 -3.76 3.41 4.32 -1.12 -4.81 117.00 112.30 1xai n LEU 147 Ca -0.30 -0.58 -0.15 0.00 -0.02 0.00 0.00 56.01 54.95 1xai n LEU 147 Cb 0.68 -0.04 -0.16 0.00 -1.62 0.00 0.00 43.42 42.28 1xai n LEU 147 CO 0.74 0.31 -0.33 -0.63 -1.22 0.00 0.00 177.39 176.26 1xai s ILE 148 N -2.52 -0.06 -1.73 -0.08 1.09 -1.23 -4.98 121.20 111.68 1xai s ILE 148 Ca 0.19 0.23 0.00 0.00 -1.10 0.00 0.00 60.65 59.98 1xai s ILE 148 Cb 0.18 -0.11 0.00 0.00 -1.06 0.00 0.00 42.46 41.47 1xai s ILE 148 CO 0.58 0.09 0.00 0.61 -0.10 0.00 0.00 174.94 176.12 1xai n GLY 149 N 4.29 -0.71 3.63 6.18 0.00 -1.26 -0.55 105.19 116.77 1xai n GLY 149 Ca -0.26 -0.43 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 1xai n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xai s ALA 150 N -1.00 -2.05 -0.42 4.61 0.00 -0.93 -4.94 121.76 117.03 1xai s ALA 150 Ca 0.00 0.80 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 1xai s ALA 150 Cb 0.00 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.46 1xai s ALA 150 CO 0.00 -0.92 0.46 -0.06 0.00 0.00 0.00 175.76 175.24 1xai s PHE 151 N -2.66 3.16 -0.15 0.00 0.40 -1.26 -2.02 117.98 115.44 1xai s PHE 151 Ca 0.12 -0.35 -0.03 0.00 -0.60 0.00 0.00 56.93 56.07 1xai s PHE 151 Cb 0.02 -2.95 0.05 0.00 0.51 0.00 0.00 43.02 40.65 1xai s PHE 151 CO -0.03 -0.72 0.04 -0.47 0.70 0.00 0.00 175.22 174.73 1xai s TYR 152 N 2.20 0.76 -0.06 0.36 6.14 -0.34 -5.02 117.35 121.39 1xai s TYR 152 Ca 0.13 -0.54 -0.30 0.00 0.64 0.00 0.00 57.07 57.00 1xai s TYR 152 Cb -0.17 -0.89 -0.05 0.00 0.42 0.00 0.00 41.96 41.27 1xai s TYR 152 CO 0.14 -0.50 1.56 1.03 0.64 0.00 0.00 175.55 178.42 1xai s ARG 153 N 1.94 4.20 0.58 4.97 0.52 -1.26 -4.43 118.95 125.48 1xai s ARG 153 Ca 0.01 2.08 -0.18 0.00 -0.52 0.00 0.00 55.73 57.12 1xai s ARG 153 Cb -0.15 -3.89 -0.04 0.00 0.52 0.00 0.00 34.95 31.39 1xai s ARG 153 CO -0.07 -0.79 1.14 -1.25 0.02 0.00 0.00 175.30 174.35 1xai s PRO 154 N 3.71 3.14 0.30 3.54 0.04 -1.26 -4.79 135.00 139.67 1xai s PRO 154 Ca 0.69 1.59 0.01 0.00 0.04 0.00 0.00 61.00 63.33 1xai s PRO 154 Cb -0.31 -1.98 0.47 0.00 0.04 0.00 0.00 34.50 32.72 1xai s PRO 154 CO 0.27 -1.02 1.82 1.15 0.04 0.00 0.00 177.00 179.26 1xai h THR 155 N 0.83 1.22 -1.73 1.26 2.02 0.16 -3.42 112.91 113.25 1xai h THR 155 Ca -0.49 -0.87 0.10 0.00 0.77 0.00 0.00 66.41 65.92 1xai h THR 155 Cb 1.26 0.88 -0.21 0.00 -1.74 0.00 0.00 68.15 68.35 1xai h THR 155 CO 0.56 0.31 0.56 0.00 0.37 0.00 0.00 175.52 177.31 1xai s ALA 156 N -5.01 -1.92 -0.10 6.16 0.00 -1.21 -4.11 121.76 115.59 1xai s ALA 156 Ca -0.09 1.45 0.03 0.00 0.00 0.00 0.00 51.96 53.35 1xai s ALA 156 Cb 0.15 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1xai s ALA 156 CO 0.79 -0.42 -0.18 0.08 0.00 0.00 0.00 175.76 176.02 1xai s VAL 157 N -1.70 2.62 -0.40 0.00 1.01 -0.40 -1.75 120.40 119.77 1xai s VAL 157 Ca 0.01 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1xai s VAL 157 Cb -0.01 -2.04 0.12 0.00 0.00 0.00 0.00 36.38 34.45 1xai s VAL 157 CO -0.02 0.55 0.16 -0.63 0.00 0.00 0.00 175.10 175.16 1xai s ILE 158 N 0.07 1.81 -0.92 2.22 1.01 0.26 0.09 121.20 125.74 1xai s ILE 158 Ca -0.08 -2.41 -0.13 0.00 0.00 0.00 0.00 60.65 58.02 1xai s ILE 158 Cb -0.15 -2.31 0.22 0.00 0.01 0.00 0.00 42.46 40.23 1xai s ILE 158 CO 0.05 -0.74 0.92 -0.47 0.00 0.00 0.00 174.94 174.70 1xai s TYR 159 N 0.65 3.80 -0.37 3.97 6.04 0.16 -3.76 117.35 127.83 1xai s TYR 159 Ca 0.14 -2.09 -0.29 0.00 0.04 0.00 0.00 57.07 54.87 1xai s TYR 159 Cb -0.22 -3.90 0.00 0.00 -1.04 0.00 0.00 41.96 36.81 1xai s TYR 159 CO -0.08 -1.06 1.41 0.34 -1.54 0.00 0.00 175.55 174.62 1xai s ASP 160 N 2.16 6.41 0.00 4.32 3.68 -1.26 -2.95 116.67 129.04 1xai s ASP 160 Ca 0.24 0.98 0.08 0.00 2.13 0.00 0.00 52.55 55.98 1xai s ASP 160 Cb -0.09 -2.54 0.49 0.00 -1.45 0.00 0.00 42.92 39.33 1xai s ASP 160 CO -0.08 -1.34 0.91 0.18 0.13 0.00 0.00 175.17 174.96 1xai n LEU 161 N 8.53 0.00 0.06 -1.34 4.77 0.30 -2.72 117.00 126.60 1xai n LEU 161 Ca 0.16 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.27 1xai n LEU 161 Cb 0.47 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.88 1xai n LEU 161 CO 0.68 0.00 0.61 0.47 -1.33 0.00 0.00 177.39 177.82 1xai n ASP 162 N -0.81 0.61 0.05 -1.43 9.92 -1.26 -3.69 116.55 119.93 1xai n ASP 162 Ca 0.06 0.26 0.11 0.00 -0.53 0.00 0.00 54.79 54.69 1xai n ASP 162 Cb 0.03 -0.20 0.46 0.00 -0.64 0.00 0.00 41.12 40.76 1xai n ASP 162 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1xai n PHE 163 N -1.99 0.34 0.37 1.24 3.72 -1.10 -3.16 117.46 116.88 1xai n PHE 163 Ca 0.05 0.11 0.13 0.00 -0.05 0.00 0.00 57.45 57.70 1xai n PHE 163 Cb 0.41 -0.68 0.40 0.00 -0.94 0.00 0.00 39.48 38.66 1xai n PHE 163 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1xai h LEU 164 N 0.00 0.00 0.00 4.37 3.38 -1.82 -3.17 115.31 118.08 1xai h LEU 164 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xai h LEU 164 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1xai h LEU 164 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1xai n LYS 165 N -2.74 0.14 -0.03 1.13 5.02 -1.19 -2.63 118.16 117.87 1xai n LYS 165 Ca 0.03 0.15 0.02 0.00 -2.02 0.00 0.00 58.31 56.49 1xai n LYS 165 Cb 0.41 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.95 1xai n LYS 165 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xai n THR 166 N -1.38 1.14 -2.98 -0.18 -2.24 -1.20 -5.02 114.28 102.42 1xai n THR 166 Ca 0.07 -1.19 -0.40 0.00 -2.27 0.00 0.00 64.05 60.26 1xai n THR 166 Cb 0.17 0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 68.74 1xai n THR 166 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xai s LEU 167 N -1.29 4.40 0.77 3.22 1.43 -1.08 -5.06 118.68 121.07 1xai s LEU 167 Ca 0.07 1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 54.43 1xai s LEU 167 Cb 0.05 -3.20 0.05 0.00 0.03 0.00 0.00 46.19 43.12 1xai s LEU 167 CO 0.02 -0.05 1.08 -2.84 0.23 0.00 0.00 176.35 174.79 1xai s PRO 168 N 0.32 2.32 0.23 1.29 0.02 -1.26 -4.87 135.00 133.04 1xai s PRO 168 Ca 0.39 0.76 -0.07 0.00 0.02 0.00 0.00 61.00 62.10 1xai s PRO 168 Cb -0.20 -1.94 0.20 0.00 0.02 0.00 0.00 34.50 32.59 1xai s PRO 168 CO 0.22 -1.48 1.86 0.35 -0.33 0.00 0.00 177.00 177.61 1xai h PHE 169 N -0.99 1.19 -0.64 6.54 -0.00 -1.97 -2.11 116.94 118.97 1xai h PHE 169 Ca -0.46 -0.02 0.18 0.00 -0.00 0.00 0.00 57.97 57.68 1xai h PHE 169 Cb 1.25 -0.39 -0.03 0.00 -0.00 0.00 0.00 35.95 36.79 1xai h PHE 169 CO 0.51 0.81 0.59 -0.22 -0.00 0.00 0.00 178.31 180.01 1xai h LYS 170 N 1.23 0.00 0.00 1.11 3.64 -2.00 0.18 116.57 120.73 1xai h LYS 170 Ca 0.31 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.55 1xai h LYS 170 Cb -0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1xai h LYS 170 CO -0.05 0.00 -1.66 1.04 -2.27 0.00 0.00 179.45 176.51 1xai n GLN 171 N -3.84 0.64 0.11 1.90 1.13 -0.82 -2.73 117.38 113.76 1xai n GLN 171 Ca 0.13 0.07 -0.13 0.00 -1.94 0.00 0.00 57.00 55.13 1xai n GLN 171 Cb 0.83 -1.70 -0.08 0.00 0.11 0.00 0.00 30.24 29.40 1xai n GLN 171 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1xai h ILE 172 N 0.00 0.90 -0.17 5.09 1.08 -0.35 0.66 117.51 124.72 1xai h ILE 172 Ca -0.17 -0.56 0.03 0.00 -0.39 0.00 0.00 64.86 63.78 1xai h ILE 172 Cb 1.48 1.23 -0.03 0.00 -3.07 0.00 0.00 36.82 36.43 1xai h ILE 172 CO 0.03 0.13 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.50 1xai h LEU 173 N -0.54 -0.17 0.11 1.44 3.38 -1.31 0.72 115.31 118.94 1xai h LEU 173 Ca -0.03 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1xai h LEU 173 Cb 0.41 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1xai h LEU 173 CO 0.04 -0.06 -0.23 -1.28 0.09 0.00 0.00 178.44 177.00 1xai h SER 174 N -0.01 -0.66 -0.05 -0.43 0.87 -1.36 -2.47 113.55 109.45 1xai h SER 174 Ca 0.08 0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.64 1xai h SER 174 Cb 0.13 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1xai h SER 174 CO -0.18 -0.32 -0.21 1.23 -0.53 0.00 0.00 176.83 176.82 1xai h GLY 175 N -0.43 0.48 1.94 5.77 0.00 0.65 -2.92 103.07 108.57 1xai h GLY 175 Ca 0.03 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.00 1xai h GLY 175 CO -0.14 0.34 0.02 -1.82 0.00 0.00 0.00 176.54 174.95 1xai h TYR 176 N 0.40 0.00 0.00 5.60 5.03 0.88 -2.05 116.97 126.84 1xai h TYR 176 Ca 0.07 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 1xai h TYR 176 Cb 0.60 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.88 1xai h TYR 176 CO 0.02 0.00 -0.03 0.00 -1.32 0.00 0.00 178.16 176.82 1xai h ALA 177 N 1.98 1.75 0.13 1.82 0.00 -1.25 0.32 119.26 124.00 1xai h ALA 177 Ca 0.01 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1xai h ALA 177 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xai h ALA 177 CO -0.00 0.04 -1.66 0.93 0.00 0.00 0.00 179.25 178.56 1xai h GLU 178 N 0.00 0.28 -0.70 0.00 4.39 -1.55 -2.37 114.58 114.62 1xai h GLU 178 Ca -0.00 -0.47 -0.05 0.00 0.34 0.00 0.00 59.36 59.18 1xai h GLU 178 Cb 0.07 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1xai h GLU 178 CO 0.00 1.14 0.24 0.28 -1.16 0.00 0.00 179.01 179.52 1xai h VAL 179 N 0.08 1.25 -0.25 3.13 2.07 -1.29 -2.09 116.25 119.15 1xai h VAL 179 Ca -0.30 -0.83 -0.18 0.00 0.82 0.00 0.00 66.70 66.22 1xai h VAL 179 Cb 2.04 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1xai h VAL 179 CO 0.15 0.33 -0.54 0.22 0.02 0.00 0.00 177.57 177.75 1xai h TYR 180 N 1.03 0.96 -0.52 1.57 5.03 -0.49 -3.14 116.97 121.42 1xai h TYR 180 Ca 0.23 -0.34 -0.02 0.00 2.58 0.00 0.00 58.73 61.19 1xai h TYR 180 Cb 0.25 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 1xai h TYR 180 CO 0.02 1.13 0.26 -0.22 -1.32 0.00 0.00 178.16 178.04 1xai h LYS 181 N 0.59 0.74 -0.01 1.82 3.64 -1.05 -0.90 116.57 121.39 1xai h LYS 181 Ca 0.01 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1xai h LYS 181 Cb 1.13 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1xai h LYS 181 CO 0.11 0.60 -0.16 0.45 -2.27 0.00 0.00 179.45 178.19 1xai h HIS 182 N 0.69 0.02 0.14 1.91 3.86 -1.45 -2.16 115.15 118.16 1xai h HIS 182 Ca 0.18 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 1xai h HIS 182 Cb 0.10 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1xai h HIS 182 CO -0.01 0.18 -0.07 0.00 0.86 0.00 0.00 177.93 178.89 1xai h ALA 183 N 1.82 -0.19 -0.89 2.45 0.00 -1.30 0.82 119.26 121.97 1xai h ALA 183 Ca 0.00 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 54.93 1xai h ALA 183 Cb 0.29 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1xai h ALA 183 CO 0.02 -0.43 0.59 -0.07 0.00 0.00 0.00 179.25 179.36 1xai h LEU 184 N -0.54 0.40 -0.12 0.00 3.38 -0.86 0.30 115.31 117.87 1xai h LEU 184 Ca -0.02 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1xai h LEU 184 Cb 0.42 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1xai h LEU 184 CO 0.03 0.16 -0.53 -0.07 0.09 0.00 0.00 178.44 178.13 1xai h LEU 185 N 0.40 0.00 0.00 1.67 4.07 -1.07 -3.23 115.31 117.14 1xai h LEU 185 Ca 0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.42 1xai h LEU 185 Cb 1.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1xai h LEU 185 CO -0.17 0.53 0.00 -3.20 -1.08 0.00 0.00 178.44 174.52 1xai n ASN 186 N -3.27 0.00 0.00 -0.43 2.85 0.10 -4.80 115.26 109.72 1xai n ASN 186 Ca 0.02 -0.14 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 1xai n ASN 186 Cb 0.72 -0.28 0.00 0.00 1.24 0.00 0.00 39.78 41.46 1xai n ASN 186 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xai n GLY 187 N 1.24 2.70 0.25 8.20 0.00 -1.04 -4.58 105.19 111.96 1xai n GLY 187 Ca 0.14 -2.11 0.10 0.00 0.00 0.00 0.00 46.02 44.15 1xai n GLY 187 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xai h GLU 188 N 0.00 0.00 0.39 1.61 4.81 -1.85 -2.75 114.58 116.79 1xai h GLU 188 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1xai h GLU 188 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1xai h GLU 188 CO 0.00 0.15 -0.19 1.03 -0.73 0.00 0.00 179.01 179.27 1xai h SER 189 N 0.00 -0.44 -0.17 1.04 0.87 -1.93 -2.68 113.55 110.24 1xai h SER 189 Ca -0.00 -0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1xai h SER 189 Cb 0.36 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1xai h SER 189 CO 0.02 -0.01 0.11 0.00 -0.53 0.00 0.00 176.83 176.43 1xai h ALA 190 N -0.81 1.99 0.45 6.23 0.00 -1.79 0.20 119.26 125.54 1xai h ALA 190 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1xai h ALA 190 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xai h ALA 190 CO 0.09 -0.02 -0.22 1.15 0.00 0.00 0.00 179.25 180.25 1xai h THR 191 N 0.13 0.00 0.00 0.00 2.02 -1.57 -0.31 112.91 113.19 1xai h THR 191 Ca 0.07 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 1xai h THR 191 Cb 0.12 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1xai h THR 191 CO -0.01 0.00 -0.01 1.56 0.37 0.00 0.00 175.52 177.43 1xai h GLN 192 N -1.09 0.00 0.20 6.66 4.20 -1.34 0.56 115.11 124.29 1xai h GLN 192 Ca -0.06 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.33 1xai h GLN 192 Cb 0.47 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.28 1xai h GLN 192 CO 0.10 0.01 -1.38 0.22 -0.67 0.00 0.00 178.83 177.11 1xai h ASP 193 N 0.00 0.80 0.53 1.46 3.58 -0.55 -0.31 116.42 121.93 1xai h ASP 193 Ca -0.00 -0.82 -0.26 0.00 0.42 0.00 0.00 57.03 56.37 1xai h ASP 193 Cb 0.04 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.84 1xai h ASP 193 CO 0.00 1.63 -1.15 -0.29 -2.88 0.00 0.00 179.24 176.55 1xai h ILE 194 N 0.18 1.46 -0.09 2.25 2.10 -0.14 -1.97 117.51 121.30 1xai h ILE 194 Ca -0.22 -2.85 -0.04 0.00 1.08 0.00 0.00 64.86 62.83 1xai h ILE 194 Cb 2.07 2.78 -0.01 0.00 -1.09 0.00 0.00 36.82 40.57 1xai h ILE 194 CO 0.26 0.84 -0.14 -0.33 -1.08 0.00 0.00 178.15 177.69 1xai h GLU 195 N 0.12 0.14 -0.06 2.19 5.08 0.03 0.19 114.58 122.26 1xai h GLU 195 Ca -0.12 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 57.97 1xai h GLU 195 Cb 1.85 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.09 1xai h GLU 195 CO 0.19 0.29 -0.91 0.37 -1.00 0.00 0.00 179.01 177.94 1xai h GLN 196 N 0.13 0.68 0.23 2.33 4.15 -0.91 -3.28 115.11 118.44 1xai h GLN 196 Ca 0.03 -0.65 -0.01 0.00 0.77 0.00 0.00 58.65 58.78 1xai h GLN 196 Cb 0.34 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1xai h GLN 196 CO 0.02 1.25 -0.11 1.25 -1.93 0.00 0.00 178.83 179.31 1xai h HIS 197 N 0.42 -0.28 -1.76 3.99 2.76 -0.97 -3.37 115.15 115.93 1xai h HIS 197 Ca -0.09 -0.01 -0.73 0.00 -2.20 0.00 0.00 60.37 57.35 1xai h HIS 197 Cb 1.55 0.09 -0.15 0.00 1.55 0.00 0.00 27.41 30.45 1xai h HIS 197 CO 0.09 -0.14 1.65 1.19 -1.30 0.00 0.00 177.93 179.42 1xai n PHE 198 N -4.98 4.63 0.03 5.26 3.72 0.62 -4.78 117.46 121.96 1xai n PHE 198 Ca -0.04 -3.18 -0.15 0.00 -0.05 0.00 0.00 57.45 54.03 1xai n PHE 198 Cb 0.14 -2.26 -0.04 0.00 -0.94 0.00 0.00 39.48 36.38 1xai n PHE 198 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1xai h LYS 199 N 7.00 0.57 -3.39 -1.08 1.57 -1.73 -3.42 116.57 116.09 1xai h LYS 199 Ca 0.36 -0.53 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1xai h LYS 199 Cb 0.83 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.21 1xai h LYS 199 CO 1.35 1.15 0.05 0.16 -0.57 0.00 0.00 179.45 181.60 1xai s ASP 200 N -7.10 -0.01 0.16 0.86 1.47 -1.26 -4.63 116.67 106.16 1xai s ASP 200 Ca -0.08 -0.94 -0.21 0.00 1.18 0.00 0.00 52.55 52.51 1xai s ASP 200 Cb 0.09 0.69 0.05 0.00 -0.34 0.00 0.00 42.92 43.40 1xai s ASP 200 CO 0.88 -1.33 1.27 -1.14 0.68 0.00 0.00 175.17 175.54 1xai n ARG 201 N -0.46 -0.29 -0.19 2.11 0.63 -0.33 -1.04 116.66 117.09 1xai n ARG 201 Ca -0.03 1.25 0.14 0.00 -0.92 0.00 0.00 57.85 58.29 1xai n ARG 201 Cb 0.61 -1.85 0.46 0.00 0.45 0.00 0.00 32.46 32.13 1xai n ARG 201 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1xai h GLU 202 N 0.00 0.49 0.09 -0.14 5.08 -1.89 0.37 114.58 118.57 1xai h GLU 202 Ca 0.19 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1xai h GLU 202 Cb 0.40 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1xai h GLU 202 CO -0.79 0.32 -0.04 0.82 -1.00 0.00 0.00 179.01 178.32 1xai h ILE 203 N 0.50 1.16 0.58 3.13 1.08 -1.47 -1.69 117.51 120.81 1xai h ILE 203 Ca 0.39 -1.01 -0.02 0.00 -0.39 0.00 0.00 64.86 63.83 1xai h ILE 203 Cb 0.79 1.80 -0.01 0.00 -3.07 0.00 0.00 36.82 36.33 1xai h ILE 203 CO -0.14 0.24 -0.40 0.25 -0.69 0.00 0.00 178.15 177.41 1xai h LEU 204 N -0.59 -1.03 -1.24 1.44 6.46 -1.17 -1.37 115.31 117.82 1xai h LEU 204 Ca -0.01 0.06 0.36 0.00 -0.12 0.00 0.00 57.88 58.17 1xai h LEU 204 Cb 0.48 0.31 -0.13 0.00 -0.73 0.00 0.00 40.66 40.60 1xai h LEU 204 CO 0.02 -0.59 0.70 -0.61 -0.62 0.00 0.00 178.44 177.34 1xai h GLN 205 N -0.93 0.22 -0.02 1.25 4.15 -0.38 0.94 115.11 120.34 1xai h GLN 205 Ca -0.08 -0.01 -0.18 0.00 0.77 0.00 0.00 58.65 59.15 1xai h GLN 205 Cb 0.76 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 1xai h GLN 205 CO 0.05 0.15 -0.78 0.66 -1.93 0.00 0.00 178.83 176.98 1xai h SER 206 N 0.23 0.23 -0.22 -0.69 4.64 -0.75 -3.48 113.55 113.51 1xai h SER 206 Ca 0.74 -0.17 -0.09 0.00 -0.47 0.00 0.00 61.79 61.80 1xai h SER 206 Cb 2.02 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 64.00 1xai h SER 206 CO -0.47 0.92 -0.09 0.18 -0.87 0.00 0.00 176.83 176.50 1xai n LEU 207 N -3.72 -0.33 -4.73 5.97 4.77 0.32 -5.02 117.00 114.26 1xai n LEU 207 Ca -0.03 0.11 -0.41 0.00 -0.03 0.00 0.00 56.01 55.65 1xai n LEU 207 Cb 0.74 -1.03 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 1xai n LEU 207 CO 0.46 -0.24 0.83 0.21 -1.33 0.00 0.00 177.39 177.32 1xai s ASN 208 N -2.94 7.19 -0.07 -1.43 3.84 -1.25 -2.60 114.94 117.68 1xai s ASN 208 Ca 0.00 2.08 0.00 0.00 0.21 0.00 0.00 52.86 55.15 1xai s ASN 208 Cb 0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 1xai s ASN 208 CO 0.00 -0.31 0.00 0.61 -2.79 0.00 0.00 177.10 174.61 1xai n GLY 209 N 2.40 0.48 0.08 1.21 0.00 -1.26 -4.92 105.19 103.18 1xai n GLY 209 Ca 0.05 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 1xai n GLY 209 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1xai h MET 210 N 0.64 0.02 -1.61 1.61 4.05 -1.92 -3.20 114.93 114.52 1xai h MET 210 Ca -0.01 -0.04 0.50 0.00 -0.28 0.00 0.00 59.70 59.87 1xai h MET 210 Cb 0.13 0.02 -0.11 0.00 -0.80 0.00 0.00 31.60 30.84 1xai h MET 210 CO 0.02 1.02 1.11 -0.44 0.23 0.00 0.00 176.91 178.85 1xai h ASP 211 N -0.95 0.12 0.16 1.39 3.45 -1.91 0.41 116.42 119.08 1xai h ASP 211 Ca -0.03 0.08 -0.24 0.00 0.43 0.00 0.00 57.03 57.27 1xai h ASP 211 Cb 1.07 0.08 0.03 0.00 -0.56 0.00 0.00 39.33 39.95 1xai h ASP 211 CO -0.00 -0.12 -1.04 0.50 -1.57 0.00 0.00 179.24 177.01 1xai h LYS 212 N 0.02 0.42 0.00 3.56 3.11 -1.97 -3.14 116.57 118.57 1xai h LYS 212 Ca 0.88 -0.67 0.00 0.00 -2.81 0.00 0.00 60.65 58.05 1xai h LYS 212 Cb 3.15 0.24 0.00 0.00 -1.00 0.00 0.00 32.23 34.62 1xai h LYS 212 CO -0.24 1.31 0.00 0.66 -2.81 0.00 0.00 179.45 178.36 1xai n TYR 213 N -3.98 0.00 -0.10 1.91 4.02 0.14 -2.18 117.16 116.97 1xai n TYR 213 Ca -0.14 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.52 1xai n TYR 213 Cb 0.91 -0.27 -0.12 0.00 -0.02 0.00 0.00 39.34 39.85 1xai n TYR 213 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1xai n ILE 214 N -1.27 1.56 -0.23 -0.72 5.41 -0.71 -2.98 119.36 120.43 1xai n ILE 214 Ca 0.11 -0.15 0.06 0.00 1.00 0.00 0.00 62.75 63.77 1xai n ILE 214 Cb 0.18 -1.98 0.31 0.00 -0.71 0.00 0.00 39.64 37.44 1xai n ILE 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xai h ALA 215 N -0.50 1.64 0.00 -1.39 0.00 -1.49 0.35 119.26 117.88 1xai h ALA 215 Ca -0.41 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1xai h ALA 215 Cb 1.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1xai h ALA 215 CO -0.21 0.24 -0.32 -0.22 0.00 0.00 0.00 179.25 178.74 1xai h LYS 216 N 0.85 0.00 0.05 0.00 3.64 -1.58 -1.99 116.57 117.54 1xai h LYS 216 Ca 0.34 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.62 1xai h LYS 216 Cb 0.25 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1xai h LYS 216 CO -0.12 0.32 -0.43 0.78 -2.27 0.00 0.00 179.45 177.74 1xai h GLY 217 N 1.39 0.23 0.64 5.01 0.00 -0.35 -2.70 103.07 107.29 1xai h GLY 217 Ca -0.00 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 46.86 1xai h GLY 217 CO 0.04 0.44 -0.07 -2.22 0.00 0.00 0.00 176.54 174.73 1xai h ILE 218 N -0.52 0.77 0.20 2.60 2.04 -0.63 -2.32 117.51 119.65 1xai h ILE 218 Ca -0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1xai h ILE 218 Cb 1.26 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 1xai h ILE 218 CO 0.08 0.00 -0.40 -0.33 0.00 0.00 0.00 178.15 177.50 1xai h GLU 219 N -0.07 -0.66 -1.10 2.37 5.08 -1.47 0.26 114.58 118.99 1xai h GLU 219 Ca 0.08 0.05 0.33 0.00 -1.00 0.00 0.00 59.36 58.82 1xai h GLU 219 Cb 0.18 0.15 -0.13 0.00 0.50 0.00 0.00 28.75 29.46 1xai h GLU 219 CO -0.18 -0.44 0.68 1.15 -1.00 0.00 0.00 179.01 179.22 1xai h THR 220 N -0.69 0.33 0.06 1.13 2.02 -1.25 -0.49 112.91 114.02 1xai h THR 220 Ca 0.01 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 1xai h THR 220 Cb 0.68 0.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1xai h THR 220 CO -0.18 0.05 -0.41 0.50 0.37 0.00 0.00 175.52 175.85 1xai h LYS 221 N 0.29 0.16 -0.95 6.66 3.64 -0.80 -3.21 116.57 122.37 1xai h LYS 221 Ca 0.71 -0.26 0.28 0.00 -1.27 0.00 0.00 60.65 60.11 1xai h LYS 221 Cb 1.86 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.74 1xai h LYS 221 CO -0.45 1.11 0.90 1.25 -2.27 0.00 0.00 179.45 179.98 1xai h LEU 222 N -0.64 0.00 0.04 5.20 6.46 0.67 0.40 115.31 127.43 1xai h LEU 222 Ca -0.07 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.62 1xai h LEU 222 Cb 1.30 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.24 1xai h LEU 222 CO 0.08 0.00 -0.30 0.44 -0.62 0.00 0.00 178.44 178.03 1xai h ASP 223 N 0.00 0.20 0.44 1.25 5.19 -1.43 -2.54 116.42 119.53 1xai h ASP 223 Ca 0.45 -0.91 -0.09 0.00 -0.62 0.00 0.00 57.03 55.87 1xai h ASP 223 Cb 2.25 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 41.68 1xai h ASP 223 CO -0.00 1.09 -0.41 0.40 -3.12 0.00 0.00 179.24 177.19 1xai h ILE 224 N -0.65 1.27 0.11 0.35 1.08 -0.33 -1.59 117.51 117.76 1xai h ILE 224 Ca -0.05 -1.43 -0.29 0.00 -0.39 0.00 0.00 64.86 62.70 1xai h ILE 224 Cb 1.17 1.78 -0.01 0.00 -3.07 0.00 0.00 36.82 36.69 1xai h ILE 224 CO 0.06 0.41 -1.44 -0.37 -0.69 0.00 0.00 178.15 176.11 1xai h VAL 225 N 0.00 1.26 -0.18 1.67 -1.51 -1.06 -2.36 116.25 114.08 1xai h VAL 225 Ca -0.00 -2.89 -0.20 0.00 -1.23 0.00 0.00 66.70 62.38 1xai h VAL 225 Cb 0.74 2.80 0.00 0.00 -2.13 0.00 0.00 31.29 32.71 1xai h VAL 225 CO 0.05 0.83 -0.69 0.58 -1.23 0.00 0.00 177.57 177.11 1xai h VAL 226 N 0.06 1.30 0.00 7.19 2.07 -1.43 -0.20 116.25 125.24 1xai h VAL 226 Ca -0.21 -1.92 -0.02 0.00 0.82 0.00 0.00 66.70 65.37 1xai h VAL 226 Cb 2.00 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1xai h VAL 226 CO 0.17 0.61 -0.11 0.00 0.02 0.00 0.00 177.57 178.25 1xai h ALA 227 N 0.69 0.99 -0.44 1.67 0.00 -1.38 -3.37 119.26 117.42 1xai h ALA 227 Ca -0.03 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.48 1xai h ALA 227 Cb 1.30 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.87 1xai h ALA 227 CO 0.14 0.14 -0.61 -3.47 0.00 0.00 0.00 179.25 175.45 1xai n ASP 228 N -3.22 -1.80 -0.24 0.00 2.03 -0.89 -5.02 116.55 107.41 1xai n ASP 228 Ca 0.01 -3.45 0.05 0.00 0.52 0.00 0.00 54.79 51.92 1xai n ASP 228 Cb 0.41 1.35 0.17 0.00 -0.72 0.00 0.00 41.12 42.33 1xai n ASP 228 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1xai h GLU 229 N 3.27 0.22 -0.84 -0.67 4.81 -1.20 -1.28 114.58 118.88 1xai h GLU 229 Ca -0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1xai h GLU 229 Cb 1.05 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1xai h GLU 229 CO 0.25 0.14 0.00 1.63 -0.73 0.00 0.00 179.01 180.31 1xai n LYS 230 N -5.20 2.44 -3.67 1.92 4.01 -1.26 -4.87 118.16 111.53 1xai n LYS 230 Ca 0.13 -1.16 -0.25 0.00 -0.51 0.00 0.00 58.31 56.52 1xai n LYS 230 Cb 0.45 -1.78 0.03 0.00 -0.51 0.00 0.00 35.03 33.22 1xai n LYS 230 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1xai n GLU 231 N 0.23 -2.92 -2.73 1.97 2.13 -0.48 -4.88 120.64 113.96 1xai n GLU 231 Ca 0.10 0.56 -0.41 0.00 0.66 0.00 0.00 57.16 58.07 1xai n GLU 231 Cb 0.60 -4.75 0.01 0.00 0.27 0.00 0.00 31.44 27.57 1xai n GLU 231 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1xai n GLN 232 N -4.13 5.16 0.00 5.31 1.13 -1.26 -4.81 117.38 118.78 1xai n GLN 232 Ca -0.19 -4.66 0.00 0.00 -1.94 0.00 0.00 57.00 50.21 1xai n GLN 232 Cb 0.64 -2.47 0.00 0.00 0.11 0.00 0.00 30.24 28.52 1xai n GLN 232 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xai n GLY 233 N 0.22 1.80 0.29 1.08 0.00 -1.26 -4.88 105.19 102.44 1xai n GLY 233 Ca 0.42 -0.80 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 1xai n GLY 233 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1xai h VAL 234 N 0.00 1.20 0.00 1.61 3.04 -1.93 -2.18 116.25 117.99 1xai h VAL 234 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1xai h VAL 234 Cb 0.00 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.36 1xai h VAL 234 CO 0.00 0.19 0.07 -1.14 -1.01 0.00 0.00 177.57 175.68 1xai n ARG 235 N -4.56 0.00 0.02 4.17 0.63 -1.26 0.73 116.66 116.40 1xai n ARG 235 Ca 0.07 0.40 0.07 0.00 -0.92 0.00 0.00 57.85 57.47 1xai n ARG 235 Cb 0.02 -1.57 0.29 0.00 0.45 0.00 0.00 32.46 31.64 1xai n ARG 235 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1xai n LYS 236 N -1.40 0.03 0.10 -0.14 5.02 -0.82 -2.18 118.16 118.77 1xai n LYS 236 Ca 0.00 0.32 0.13 0.00 -2.02 0.00 0.00 58.31 56.74 1xai n LYS 236 Cb 0.07 -1.56 0.43 0.00 -0.02 0.00 0.00 35.03 33.96 1xai n LYS 236 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xai n PHE 237 N -1.61 0.85 1.00 2.13 3.72 0.23 -2.61 117.46 121.16 1xai n PHE 237 Ca 0.03 0.26 0.14 0.00 -0.05 0.00 0.00 57.45 57.82 1xai n PHE 237 Cb 0.15 -0.92 0.54 0.00 -0.94 0.00 0.00 39.48 38.31 1xai n PHE 237 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1xai n LEU 238 N -2.20 0.11 -0.66 4.37 4.77 -0.93 -3.16 117.00 119.30 1xai n LEU 238 Ca 0.05 0.40 0.03 0.00 -0.03 0.00 0.00 56.01 56.46 1xai n LEU 238 Cb 0.40 -0.45 0.12 0.00 -2.33 0.00 0.00 43.42 41.16 1xai n LEU 238 CO 0.29 0.02 0.54 0.59 -1.33 0.00 0.00 177.39 177.50 1xai n ASN 239 N -1.51 1.83 -4.65 -1.43 3.02 -1.07 -4.92 115.26 106.52 1xai n ASN 239 Ca 0.07 -2.12 -0.47 0.00 -0.03 0.00 0.00 54.58 52.03 1xai n ASN 239 Cb 0.34 -0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 39.15 1xai n ASN 239 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1xai n LEU 240 N 0.23 3.45 -0.32 3.41 7.94 -1.19 -1.35 117.00 129.16 1xai n LEU 240 Ca 0.09 0.84 -0.04 0.00 -1.11 0.00 0.00 56.01 55.79 1xai n LEU 240 Cb 0.35 -1.41 -0.02 0.00 0.53 0.00 0.00 43.42 42.88 1xai n LEU 240 CO 0.08 -0.12 -0.04 0.61 -1.11 0.00 0.00 177.39 176.80 1xai n GLY 241 N 4.74 0.67 0.02 -3.96 0.00 -1.26 -4.80 105.19 100.61 1xai n GLY 241 Ca 0.24 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1xai n GLY 241 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xai n HIS 242 N -2.71 0.12 -0.00 1.61 8.25 -0.46 -2.79 115.22 119.24 1xai n HIS 242 Ca -0.04 0.03 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 1xai n HIS 242 Cb 0.22 -0.41 -0.06 0.00 1.12 0.00 0.00 29.99 30.87 1xai n HIS 242 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1xai h THR 243 N 0.00 1.09 0.14 1.59 2.02 -1.91 0.51 112.91 116.36 1xai h THR 243 Ca 0.00 -0.25 -0.32 0.00 0.77 0.00 0.00 66.41 66.61 1xai h THR 243 Cb 0.84 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1xai h THR 243 CO 0.00 0.08 -1.58 0.15 0.37 0.00 0.00 175.52 174.53 1xai h PHE 244 N 0.04 0.54 -0.25 3.16 -0.00 -1.88 -3.34 116.94 115.21 1xai h PHE 244 Ca 0.03 -0.39 0.04 0.00 -0.00 0.00 0.00 57.97 57.65 1xai h PHE 244 Cb 0.08 -0.02 -0.04 0.00 -0.00 0.00 0.00 35.95 35.97 1xai h PHE 244 CO -0.04 1.46 0.02 0.78 -0.00 0.00 0.00 178.31 180.52 1xai h GLY 245 N 1.37 0.26 2.00 2.40 0.00 -1.39 -1.76 103.07 105.95 1xai h GLY 245 Ca -0.27 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1xai h GLY 245 CO 0.17 -0.04 -0.15 0.45 0.00 0.00 0.00 176.54 176.98 1xai h HIS 246 N 0.10 0.00 -0.12 5.60 3.86 -0.12 -0.34 115.15 124.13 1xai h HIS 246 Ca 0.12 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.15 1xai h HIS 246 Cb 0.14 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1xai h HIS 246 CO -0.19 0.15 -0.67 0.00 0.86 0.00 0.00 177.93 178.08 1xai h ALA 247 N 1.85 0.62 0.09 2.45 0.00 -1.52 -1.76 119.26 120.99 1xai h ALA 247 Ca -0.00 -0.57 -0.26 0.00 0.00 0.00 0.00 54.91 54.08 1xai h ALA 247 Cb 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xai h ALA 247 CO 0.02 0.73 -1.17 0.28 0.00 0.00 0.00 179.25 179.11 1xai h VAL 248 N 0.34 1.54 0.16 0.00 2.07 -0.75 -2.33 116.25 117.27 1xai h VAL 248 Ca -0.02 -3.09 -0.01 0.00 0.82 0.00 0.00 66.70 64.41 1xai h VAL 248 Cb 1.24 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.89 1xai h VAL 248 CO 0.12 0.90 -0.08 -0.08 0.02 0.00 0.00 177.57 178.45 1xai h GLU 249 N 0.07 -0.20 0.23 1.57 4.81 -1.10 0.16 114.58 120.11 1xai h GLU 249 Ca -0.11 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1xai h GLU 249 Cb 1.90 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.33 1xai h GLU 249 CO 0.19 0.19 -0.11 -0.92 -0.73 0.00 0.00 179.01 177.62 1xai h TYR 250 N -0.66 -0.29 -0.06 0.92 3.20 -1.42 0.23 116.97 118.89 1xai h TYR 250 Ca -0.02 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.67 1xai h TYR 250 Cb 0.49 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1xai h TYR 250 CO 0.06 -0.07 -0.72 -0.92 -1.64 0.00 0.00 178.16 174.86 1xai h TYR 251 N -0.47 0.43 -0.02 -3.82 3.20 -1.52 -3.26 116.97 111.51 1xai h TYR 251 Ca -0.03 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.65 1xai h TYR 251 Cb 0.35 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1xai h TYR 251 CO -0.02 0.93 -0.46 0.72 -1.64 0.00 0.00 178.16 177.69 1xai n HIS 252 N -3.81 0.00 -3.85 -3.82 8.25 0.55 -5.00 115.22 107.54 1xai n HIS 252 Ca -0.04 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.05 1xai n HIS 252 Cb 0.70 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.84 1xai n HIS 252 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1xai n LYS 253 N 0.03 -0.85 -4.43 -0.41 4.76 0.80 -4.97 118.16 113.09 1xai n LYS 253 Ca 0.09 0.30 -0.25 0.00 -2.87 0.00 0.00 58.31 55.58 1xai n LYS 253 Cb 0.47 -3.47 -0.10 0.00 -1.84 0.00 0.00 35.03 30.09 1xai n LYS 253 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1xai s ILE 254 N -3.50 2.58 0.61 -0.18 -4.36 -1.21 -5.06 121.20 110.07 1xai s ILE 254 Ca 0.47 -2.22 -0.18 0.00 -0.26 0.00 0.00 60.65 58.47 1xai s ILE 254 Cb -0.21 -2.32 -0.09 0.00 1.25 0.00 0.00 42.46 41.09 1xai s ILE 254 CO 0.91 -0.31 0.41 -2.65 0.24 0.00 0.00 174.94 173.54 1xai n PRO 255 N -0.38 0.38 0.06 0.37 -0.02 -1.26 -4.66 135.00 129.49 1xai n PRO 255 Ca -0.07 0.16 -0.11 0.00 -2.02 0.00 0.00 63.50 61.45 1xai n PRO 255 Cb 0.59 -1.62 -0.05 0.00 -0.02 0.00 0.00 33.50 32.40 1xai n PRO 255 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xai h HIS 256 N 0.03 -0.58 -0.14 6.00 2.76 -1.97 -1.98 115.15 119.28 1xai h HIS 256 Ca -0.45 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 57.76 1xai h HIS 256 Cb 1.39 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 30.59 1xai h HIS 256 CO 0.31 -0.31 0.01 0.78 -1.30 0.00 0.00 177.93 177.42 1xai h GLY 257 N -0.35 0.14 0.11 5.26 0.00 -1.88 -0.18 103.07 106.17 1xai h GLY 257 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.51 1xai h GLY 257 CO -0.20 -0.01 0.09 0.45 0.00 0.00 0.00 176.54 176.87 1xai h HIS 258 N 0.06 0.13 -0.35 5.60 -0.00 -1.75 0.17 115.15 119.01 1xai h HIS 258 Ca 0.07 0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.44 1xai h HIS 258 Cb 0.07 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 1xai h HIS 258 CO -0.14 -0.07 0.09 0.00 -0.00 0.00 0.00 177.93 177.80 1xai h ALA 259 N 1.50 0.47 -0.42 2.45 0.00 -1.01 -2.59 119.26 119.67 1xai h ALA 259 Ca 0.32 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1xai h ALA 259 Cb 0.49 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1xai h ALA 259 CO -0.44 0.14 0.18 0.28 0.00 0.00 0.00 179.25 179.41 1xai h VAL 260 N 0.42 0.92 -0.08 0.00 2.07 0.32 0.75 116.25 120.65 1xai h VAL 260 Ca 0.11 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1xai h VAL 260 Cb 0.30 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1xai h VAL 260 CO 0.00 0.07 -0.22 0.24 0.02 0.00 0.00 177.57 177.68 1xai h MET 261 N 0.36 -0.29 -0.17 1.57 2.86 -0.63 1.30 114.93 119.93 1xai h MET 261 Ca 0.19 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1xai h MET 261 Cb 0.14 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1xai h MET 261 CO -0.16 -0.19 0.10 0.28 1.06 0.00 0.00 176.91 177.99 1xai h VAL 262 N -0.30 1.05 -0.09 -2.22 2.07 -1.03 0.81 116.25 116.55 1xai h VAL 262 Ca 0.09 -0.13 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 1xai h VAL 262 Cb 0.42 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1xai h VAL 262 CO -0.26 0.06 -0.56 1.23 0.02 0.00 0.00 177.57 178.06 1xai h GLY 263 N 0.27 0.29 0.69 2.17 0.00 0.44 -2.82 103.07 104.12 1xai h GLY 263 Ca 0.06 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1xai h GLY 263 CO -0.01 0.30 -0.28 -2.22 0.00 0.00 0.00 176.54 174.33 1xai h ILE 264 N 0.20 0.19 -0.76 2.60 1.08 0.39 -1.91 117.51 119.30 1xai h ILE 264 Ca -0.00 -0.38 0.12 0.00 -0.39 0.00 0.00 64.86 64.21 1xai h ILE 264 Cb 1.05 0.26 -0.05 0.00 -3.07 0.00 0.00 36.82 35.01 1xai h ILE 264 CO 0.09 0.03 0.50 0.40 -0.69 0.00 0.00 178.15 178.48 1xai h ILE 265 N -1.11 0.87 -0.19 -0.67 2.04 -1.42 0.15 117.51 117.16 1xai h ILE 265 Ca -0.08 -0.19 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 1xai h ILE 265 Cb 0.66 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1xai h ILE 265 CO 0.13 0.10 -0.36 0.22 0.00 0.00 0.00 178.15 178.24 1xai h TYR 266 N 0.55 0.48 -0.59 1.37 3.20 -1.49 -1.42 116.97 119.08 1xai h TYR 266 Ca 0.36 -0.13 -0.11 0.00 3.14 0.00 0.00 58.73 62.00 1xai h TYR 266 Cb 0.65 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1xai h TYR 266 CO -0.00 0.73 -0.05 0.37 -1.64 0.00 0.00 178.16 177.57 1xai h GLN 267 N 0.35 1.07 -0.34 1.82 -0.00 0.10 -2.47 115.11 115.64 1xai h GLN 267 Ca 0.04 -0.36 -0.03 0.00 -0.00 0.00 0.00 58.65 58.30 1xai h GLN 267 Cb 0.80 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 28.18 1xai h GLN 267 CO 0.06 1.07 0.11 0.74 0.00 0.00 0.00 178.83 180.81 1xai h PHE 268 N 0.96 0.55 -1.01 3.99 0.05 -1.10 -0.76 116.94 119.62 1xai h PHE 268 Ca 0.16 -0.06 0.26 0.00 3.82 0.00 0.00 57.97 62.15 1xai h PHE 268 Cb 0.62 -0.16 -0.12 0.00 2.00 0.00 0.00 35.95 38.28 1xai h PHE 268 CO 0.04 0.54 0.61 0.82 -0.18 0.00 0.00 178.31 180.14 1xai h ILE 269 N 0.39 0.51 0.03 -0.55 2.04 -0.95 0.09 117.51 119.07 1xai h ILE 269 Ca 0.11 -0.18 -0.22 0.00 1.00 0.00 0.00 64.86 65.57 1xai h ILE 269 Cb 0.25 -0.06 0.02 0.00 -0.74 0.00 0.00 36.82 36.28 1xai h ILE 269 CO -0.00 0.10 -0.86 0.58 0.00 0.00 0.00 178.15 177.97 1xai h VAL 270 N 0.53 1.36 0.00 1.67 2.07 -0.99 -1.52 116.25 119.37 1xai h VAL 270 Ca 0.65 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1xai h VAL 270 Cb 1.33 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 1xai h VAL 270 CO -0.46 0.66 0.05 0.00 0.02 0.00 0.00 177.57 177.84 1xai h ALA 271 N 0.33 1.04 0.00 1.67 0.00 0.47 0.42 119.26 123.19 1xai h ALA 271 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1xai h ALA 271 Cb 1.55 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1xai h ALA 271 CO 0.17 -0.04 -0.56 -0.91 0.00 0.00 0.00 179.25 177.91 1xai h ASN 272 N 0.00 0.00 -1.00 0.00 2.35 -1.18 -0.30 115.58 115.45 1xai h ASN 272 Ca 0.00 -0.09 0.40 0.00 -0.55 0.00 0.00 56.30 56.06 1xai h ASN 272 Cb 0.10 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.30 1xai h ASN 272 CO 0.00 0.84 0.52 0.00 -1.65 0.00 0.00 177.43 177.14 1xai h ALA 273 N -0.91 2.09 -3.00 -0.83 0.00 0.04 0.91 119.26 117.56 1xai h ALA 273 Ca -0.05 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1xai h ALA 273 Cb 0.58 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1xai h ALA 273 CO -0.03 -0.89 0.00 1.28 0.00 0.00 0.00 179.25 179.61 1xai n LEU 274 N -5.24 0.24 0.28 0.00 4.77 0.13 -4.74 117.00 112.43 1xai n LEU 274 Ca 0.36 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.51 1xai n LEU 274 Cb 1.22 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 43.05 1xai n LEU 274 CO 0.02 0.00 1.00 -0.26 -1.33 0.00 0.00 177.39 176.81 1xai h PHE 275 N 0.00 0.00 -5.20 -1.77 0.04 -1.63 -3.47 116.94 104.91 1xai h PHE 275 Ca 0.00 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.51 1xai h PHE 275 Cb 0.00 0.00 0.16 0.00 2.20 0.00 0.00 35.95 38.31 1xai h PHE 275 CO 0.00 0.04 -0.72 -3.47 -0.60 0.00 0.00 178.31 173.56 1xai n ASP 276 N -3.18 -3.95 0.00 2.17 -0.08 0.31 -4.84 116.55 106.98 1xai n ASP 276 Ca -0.00 -0.59 0.11 0.00 -1.51 0.00 0.00 54.79 52.80 1xai n ASP 276 Cb 0.28 -4.63 0.63 0.00 2.34 0.00 0.00 41.12 39.73 1xai n ASP 276 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1xai n SER 277 N -2.95 0.00 -3.24 1.67 7.64 -0.95 -4.90 113.62 110.89 1xai n SER 277 Ca -0.17 -0.53 -0.22 0.00 1.01 0.00 0.00 58.87 58.97 1xai n SER 277 Cb 0.63 -0.07 0.02 0.00 -1.01 0.00 0.00 64.21 63.78 1xai n SER 277 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1xai n LYS 278 N -1.07 -2.02 -3.30 1.43 5.02 -1.26 -4.95 118.16 112.01 1xai n LYS 278 Ca 0.15 1.64 -0.37 0.00 -2.02 0.00 0.00 58.31 57.72 1xai n LYS 278 Cb 0.10 -3.85 -0.06 0.00 -0.02 0.00 0.00 35.03 31.20 1xai n LYS 278 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1xai s HIS 279 N -2.21 3.69 -1.12 2.13 3.76 -1.26 -4.99 115.29 115.29 1xai s HIS 279 Ca 0.26 1.18 -0.21 0.00 -0.15 0.00 0.00 55.06 56.14 1xai s HIS 279 Cb -0.04 -2.45 0.06 0.00 1.11 0.00 0.00 32.58 31.25 1xai s HIS 279 CO 0.83 0.49 1.57 0.34 -0.85 0.00 0.00 174.74 177.11 1xai s ASP 280 N -1.45 6.60 0.13 1.40 -1.08 -1.26 -4.76 116.67 116.25 1xai s ASP 280 Ca 0.35 -1.81 -0.13 0.00 -0.52 0.00 0.00 52.55 50.43 1xai s ASP 280 Cb -0.17 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.71 1xai s ASP 280 CO 0.19 -1.41 1.57 0.40 0.52 0.00 0.00 175.17 176.45 1xai h ILE 281 N 6.35 1.27 -0.08 4.11 1.08 -1.97 -2.57 117.51 125.69 1xai h ILE 281 Ca 0.29 -1.08 0.02 0.00 -0.39 0.00 0.00 64.86 63.70 1xai h ILE 281 Cb 0.96 1.09 -0.00 0.00 -3.07 0.00 0.00 36.82 35.80 1xai h ILE 281 CO 1.44 0.37 0.08 0.28 -0.69 0.00 0.00 178.15 179.62 1xai h SER 282 N 0.62 0.00 0.30 1.72 0.02 -1.99 -0.26 113.55 113.96 1xai h SER 282 Ca 0.12 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1xai h SER 282 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1xai h SER 282 CO 0.03 0.00 -0.15 -0.74 -1.14 0.00 0.00 176.83 174.83 1xai h HIS 283 N 0.00 -0.38 -0.40 3.45 -0.00 -1.85 -2.79 115.15 113.18 1xai h HIS 283 Ca 0.04 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 1xai h HIS 283 Cb 0.19 0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.70 1xai h HIS 283 CO 0.00 -0.03 0.19 1.88 -0.00 0.00 0.00 177.93 179.97 1xai h TYR 284 N -0.89 0.58 -0.20 5.26 0.05 -1.34 -0.64 116.97 119.79 1xai h TYR 284 Ca -0.04 -0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.76 1xai h TYR 284 Cb 0.52 -0.18 -0.07 0.00 1.01 0.00 0.00 36.73 38.01 1xai h TYR 284 CO 0.04 0.48 -0.32 0.82 -1.05 0.00 0.00 178.16 178.14 1xai h ILE 285 N 0.50 0.28 0.30 -2.88 1.08 -1.16 -2.02 117.51 113.62 1xai h ILE 285 Ca 0.14 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.59 1xai h ILE 285 Cb 0.13 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 34.16 1xai h ILE 285 CO -0.02 0.00 -0.14 -0.61 -0.69 0.00 0.00 178.15 176.69 1xai h GLN 286 N -0.35 -0.39 -1.19 2.37 4.15 -1.28 -2.52 115.11 115.90 1xai h GLN 286 Ca 0.11 0.03 0.34 0.00 0.77 0.00 0.00 58.65 59.90 1xai h GLN 286 Cb 0.54 0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.25 1xai h GLN 286 CO -0.39 -0.24 0.83 -0.92 -1.93 0.00 0.00 178.83 176.18 1xai h TYR 287 N -0.43 0.17 -0.13 3.99 -0.00 -0.77 0.41 116.97 120.21 1xai h TYR 287 Ca -0.04 0.01 -0.18 0.00 -0.00 0.00 0.00 58.73 58.51 1xai h TYR 287 Cb 0.33 -0.05 0.01 0.00 -0.00 0.00 0.00 36.73 37.02 1xai h TYR 287 CO -0.05 0.00 -0.63 -0.07 -0.00 0.00 0.00 178.16 177.41 1xai h LEU 288 N 0.09 0.79 -0.01 2.82 3.38 -0.96 -2.62 115.31 118.80 1xai h LEU 288 Ca 0.60 -0.63 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1xai h LEU 288 Cb 2.17 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.66 1xai h LEU 288 CO -0.09 1.29 -0.13 0.40 0.09 0.00 0.00 178.44 180.00 1xai h ILE 289 N 0.34 0.67 -0.05 1.22 2.04 0.08 -0.76 117.51 121.04 1xai h ILE 289 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1xai h ILE 289 Cb 1.27 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 1xai h ILE 289 CO 0.13 0.00 -0.22 1.56 0.00 0.00 0.00 178.15 179.62 1xai h GLN 290 N -0.22 -0.31 -0.39 2.37 4.20 -1.33 0.61 115.11 120.03 1xai h GLN 290 Ca 0.05 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.89 1xai h GLN 290 Cb 0.28 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1xai h GLN 290 CO -0.14 -0.21 0.43 -0.07 -0.67 0.00 0.00 178.83 178.18 1xai h LEU 291 N -0.32 0.00 0.00 1.46 3.38 -1.20 -0.86 115.31 117.76 1xai h LEU 291 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xai h LEU 291 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1xai h LEU 291 CO -0.24 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.90 1xai n GLY 292 N -1.48 1.20 3.75 0.83 0.00 0.20 -3.94 105.19 105.76 1xai n GLY 292 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1xai n GLY 292 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xai s TYR 293 N -2.00 3.00 0.00 1.61 2.02 -0.37 -4.96 117.35 116.65 1xai s TYR 293 Ca 0.00 1.13 0.00 0.00 -0.37 0.00 0.00 57.07 57.83 1xai s TYR 293 Cb 0.00 -3.80 0.00 0.00 -0.40 0.00 0.00 41.96 37.76 1xai s TYR 293 CO 0.00 -2.49 0.49 -2.30 -1.57 0.00 0.00 175.55 169.69 1xai n PRO 294 N 1.88 0.00 -1.45 -1.71 -0.02 -1.26 -4.59 135.00 127.85 1xai n PRO 294 Ca 0.05 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1xai n PRO 294 Cb 0.41 -0.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 1xai n PRO 294 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xai n LEU 295 N -0.71 -0.47 0.03 2.45 4.32 -1.26 -4.96 117.00 116.41 1xai n LEU 295 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.91 1xai n LEU 295 Cb 0.00 -0.49 -0.13 0.00 -1.62 0.00 0.00 43.42 41.18 1xai n LEU 295 CO 0.00 0.00 -0.12 -2.24 -1.22 0.00 0.00 177.39 173.81 1xai h ASP 296 N 0.00 0.04 1.22 -1.43 2.03 -2.00 -3.30 116.42 112.98 1xai h ASP 296 Ca 0.00 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 1xai h ASP 296 Cb 0.47 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 1xai h ASP 296 CO 0.00 1.04 0.00 1.15 -1.03 0.00 0.00 179.24 180.40 1xai n MET 297 N -3.26 0.14 -0.34 4.15 0.00 -1.26 -3.76 117.12 112.79 1xai n MET 297 Ca -0.07 0.13 0.19 0.00 0.00 0.00 0.00 57.70 57.95 1xai n MET 297 Cb 0.99 -1.67 0.43 0.00 0.00 0.00 0.00 33.22 32.97 1xai n MET 297 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1xai h ILE 298 N 0.00 0.54 0.00 3.17 2.04 -1.95 0.86 117.51 122.18 1xai h ILE 298 Ca 0.00 -0.18 -0.14 0.00 1.00 0.00 0.00 64.86 65.55 1xai h ILE 298 Cb 0.61 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1xai h ILE 298 CO 0.00 0.09 -0.65 0.74 0.00 0.00 0.00 178.15 178.33 1xai h THR 299 N 0.52 1.16 -0.31 -0.27 2.02 -1.83 -3.24 112.91 110.97 1xai h THR 299 Ca 0.62 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 65.26 1xai h THR 299 Cb 1.32 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 70.24 1xai h THR 299 CO -0.39 0.64 0.00 0.47 0.37 0.00 0.00 175.52 176.61 1xai n ASP 300 N -3.31 1.87 -3.47 4.18 8.00 0.24 -4.92 116.55 119.13 1xai n ASP 300 Ca 0.01 -1.92 -0.30 0.00 0.71 0.00 0.00 54.79 53.30 1xai n ASP 300 Cb 0.78 -0.20 0.28 0.00 -0.02 0.00 0.00 41.12 41.96 1xai n ASP 300 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xai n LEU 301 N 0.50 -0.64 -3.15 0.64 4.77 -0.86 -5.04 117.00 113.22 1xai n LEU 301 Ca 0.13 -0.74 0.05 0.00 -0.03 0.00 0.00 56.01 55.42 1xai n LEU 301 Cb 0.31 -1.04 -0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1xai n LEU 301 CO 0.10 -4.36 0.26 -0.62 -1.33 0.00 0.00 177.39 171.44 1xai s ASP 302 N -2.90 -1.19 0.21 -1.43 3.68 -1.26 -5.05 116.67 108.73 1xai s ASP 302 Ca 0.66 0.18 -0.10 0.00 2.13 0.00 0.00 52.55 55.42 1xai s ASP 302 Cb -0.14 1.77 0.27 0.00 -1.45 0.00 0.00 42.92 43.37 1xai s ASP 302 CO 0.57 -0.22 1.73 0.15 0.13 0.00 0.00 175.17 177.53 1xai h PHE 303 N 7.75 0.29 -0.17 -5.34 -0.00 -1.93 -2.81 116.94 114.74 1xai h PHE 303 Ca -0.05 0.03 0.03 0.00 -0.00 0.00 0.00 57.97 57.98 1xai h PHE 303 Cb 1.18 -0.04 -0.07 0.00 -0.00 0.00 0.00 35.95 37.02 1xai h PHE 303 CO 0.12 0.04 -0.54 1.49 -0.00 0.00 0.00 178.31 179.41 1xai h GLU 304 N 0.33 -0.54 -0.50 1.11 4.57 -1.96 0.14 114.58 117.73 1xai h GLU 304 Ca 0.30 0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 58.40 1xai h GLU 304 Cb 0.41 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1xai h GLU 304 CO -0.34 -0.36 -0.15 1.79 -1.18 0.00 0.00 179.01 178.77 1xai h THR 305 N -0.56 1.27 -0.64 0.32 1.35 -2.00 -3.11 112.91 109.54 1xai h THR 305 Ca 0.04 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 1xai h THR 305 Cb 0.67 1.07 -0.03 0.00 -1.73 0.00 0.00 68.15 68.13 1xai h THR 305 CO -0.46 0.45 0.41 -0.07 -0.25 0.00 0.00 175.52 175.61 1xai h LEU 306 N 0.83 0.75 0.03 3.87 3.38 -1.24 -2.74 115.31 120.20 1xai h LEU 306 Ca 0.12 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1xai h LEU 306 Cb 0.72 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1xai h LEU 306 CO 0.05 0.56 -0.23 0.22 0.09 0.00 0.00 178.44 179.14 1xai h TYR 307 N 0.87 -0.60 -0.33 1.13 -0.00 -0.70 0.23 116.97 117.56 1xai h TYR 307 Ca 0.23 0.02 0.08 0.00 -0.00 0.00 0.00 58.73 59.06 1xai h TYR 307 Cb -0.07 0.26 -0.02 0.00 -0.00 0.00 0.00 36.73 36.91 1xai h TYR 307 CO -0.02 -0.32 0.23 1.96 -0.00 0.00 0.00 178.16 180.01 1xai h GLN 308 N -0.38 0.09 -0.11 1.82 1.08 -1.46 0.19 115.11 116.33 1xai h GLN 308 Ca 0.05 -0.01 -0.23 0.00 -1.45 0.00 0.00 58.65 57.01 1xai h GLN 308 Cb 0.44 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1xai h GLN 308 CO -0.18 0.06 -0.84 -0.92 -0.95 0.00 0.00 178.83 176.00 1xai h TYR 309 N 0.09 1.06 0.00 2.96 5.03 -1.02 -3.08 116.97 122.01 1xai h TYR 309 Ca 0.15 -0.50 0.00 0.00 2.58 0.00 0.00 58.73 60.97 1xai h TYR 309 Cb 0.50 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.63 1xai h TYR 309 CO -0.00 1.33 0.00 -1.33 -1.32 0.00 0.00 178.16 176.84 1xai n MET 310 N -3.93 0.13 0.01 1.82 2.81 0.72 -0.56 117.12 118.13 1xai n MET 310 Ca -0.08 0.07 0.11 0.00 -1.81 0.00 0.00 57.70 55.99 1xai n MET 310 Cb 0.78 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.79 1xai n MET 310 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1xai n LEU 311 N -1.08 0.66 0.14 4.03 4.32 -1.01 -3.70 117.00 120.34 1xai n LEU 311 Ca 0.03 -0.14 0.09 0.00 -0.02 0.00 0.00 56.01 55.97 1xai n LEU 311 Cb 0.02 -0.09 0.04 0.00 -1.62 0.00 0.00 43.42 41.78 1xai n LEU 311 CO 0.03 0.11 0.28 0.28 -1.22 0.00 0.00 177.39 176.87 1xai h SER 312 N 0.00 0.00 -0.88 -1.43 0.02 -0.98 -3.48 113.55 106.80 1xai h SER 312 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 1xai h SER 312 Cb 0.65 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.28 1xai h SER 312 CO 0.00 0.14 -0.33 -0.67 -1.14 0.00 0.00 176.83 174.83 1xai n ASP 313 N -2.91 -0.82 0.00 3.07 4.64 -1.23 -4.82 116.55 114.49 1xai n ASP 313 Ca 0.00 1.00 0.13 0.00 -1.38 0.00 0.00 54.79 54.54 1xai n ASP 313 Cb 0.61 -0.83 0.75 0.00 -1.04 0.00 0.00 41.12 40.61 1xai n ASP 313 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1xai n LYS 314 N 0.99 0.80 -0.00 -0.67 5.02 -1.26 -3.28 118.16 119.76 1xai n LYS 314 Ca 0.16 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.55 1xai n LYS 314 Cb 0.18 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.58 1xai n LYS 314 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xai n LYS 315 N -1.00 0.62 -1.56 1.97 5.02 -1.26 -5.01 118.16 116.94 1xai n LYS 315 Ca 0.19 -0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 56.15 1xai n LYS 315 Cb 0.09 -1.43 0.16 0.00 -0.02 0.00 0.00 35.03 33.83 1xai n LYS 315 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1xai s ASN 316 N -3.17 3.11 0.01 4.39 0.01 -1.21 -4.80 114.94 113.28 1xai s ASN 316 Ca 0.04 0.78 0.00 0.00 -0.71 0.00 0.00 52.86 52.97 1xai s ASN 316 Cb 0.14 -1.21 -0.00 0.00 0.41 0.00 0.00 41.25 40.59 1xai s ASN 316 CO 0.80 -2.78 0.00 -0.90 -1.51 0.00 0.00 177.10 172.72 1xai n ASP 317 N -3.89 0.31 0.32 -1.22 5.68 -1.23 -5.02 116.55 111.50 1xai n ASP 317 Ca 0.09 -1.03 0.19 0.00 -0.50 0.00 0.00 54.79 53.54 1xai n ASP 317 Cb 0.59 0.02 1.06 0.00 -1.14 0.00 0.00 41.12 41.66 1xai n ASP 317 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1xai h LYS 318 N 0.00 0.00 0.00 0.11 3.64 -2.01 -2.65 116.57 115.66 1xai h LYS 318 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1xai h LYS 318 Cb 0.02 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1xai h LYS 318 CO 0.01 0.01 -0.02 1.96 -2.27 0.00 0.00 179.45 179.14 1xai h GLN 319 N 0.00 0.00 0.00 1.90 4.20 -2.03 -3.49 115.11 115.69 1xai h GLN 319 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xai h GLN 319 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1xai h GLN 319 CO 0.00 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 1xai n GLY 320 N 0.20 0.80 3.72 3.46 0.00 -1.00 -5.03 105.19 107.34 1xai n GLY 320 Ca 0.01 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 1xai n GLY 320 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xai s VAL 321 N -1.89 2.30 -0.07 1.61 1.01 -1.26 -3.56 120.40 118.54 1xai s VAL 321 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 1xai s VAL 321 Cb 0.00 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.66 1xai s VAL 321 CO 0.00 -0.08 0.17 -1.10 0.00 0.00 0.00 175.10 174.10 1xai s GLN 322 N -3.87 0.16 0.19 2.72 -0.21 -1.26 -2.80 119.66 114.57 1xai s GLN 322 Ca 0.75 0.35 0.06 0.00 0.02 0.00 0.00 55.36 56.54 1xai s GLN 322 Cb -0.30 -0.06 -0.05 0.00 1.00 0.00 0.00 33.01 33.61 1xai s GLN 322 CO 0.45 -0.11 -0.12 -1.64 -2.12 0.00 0.00 175.29 171.75 1xai s MET 323 N 0.75 1.24 -0.44 2.91 -1.94 -0.94 -4.74 119.30 116.13 1xai s MET 323 Ca -0.05 -1.55 -0.13 0.00 -1.71 0.00 0.00 55.69 52.25 1xai s MET 323 Cb -0.07 -0.92 0.07 0.00 2.01 0.00 0.00 34.83 35.93 1xai s MET 323 CO -0.04 0.13 0.33 0.08 -0.01 0.00 0.00 175.02 175.51 1xai s VAL 324 N -3.12 4.80 0.07 -6.03 1.01 -1.26 -2.22 120.40 113.65 1xai s VAL 324 Ca 0.21 -1.18 0.03 0.00 0.00 0.00 0.00 61.98 61.04 1xai s VAL 324 Cb 0.01 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1xai s VAL 324 CO 0.05 -0.53 0.08 -0.76 0.00 0.00 0.00 175.10 173.94 1xai s LEU 325 N 1.55 3.81 -0.19 3.92 1.43 0.51 -4.32 118.68 125.39 1xai s LEU 325 Ca 0.04 0.00 -0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1xai s LEU 325 Cb -0.23 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 1xai s LEU 325 CO 0.05 0.18 -0.01 -0.32 0.23 0.00 0.00 176.35 176.48 1xai s MET 326 N -2.35 3.63 -0.10 1.70 -2.45 -1.26 -0.41 119.30 118.06 1xai s MET 326 Ca 0.29 -0.52 0.19 0.00 -1.25 0.00 0.00 55.69 54.40 1xai s MET 326 Cb -0.12 -3.04 -0.28 0.00 1.25 0.00 0.00 34.83 32.64 1xai s MET 326 CO 0.22 0.07 0.28 -2.13 1.05 0.00 0.00 175.02 174.51 1xai n ARG 327 N 4.05 0.74 -3.65 4.11 0.63 -0.51 -4.69 116.66 117.34 1xai n ARG 327 Ca -0.17 -0.11 -0.04 0.00 -0.92 0.00 0.00 57.85 56.61 1xai n ARG 327 Cb 0.52 -1.49 -0.07 0.00 0.45 0.00 0.00 32.46 31.87 1xai n ARG 327 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1xai s GLN 328 N -3.00 0.16 -0.61 -0.14 0.74 -1.22 -4.64 119.66 110.96 1xai s GLN 328 Ca -0.08 0.19 -0.35 0.00 0.05 0.00 0.00 55.36 55.16 1xai s GLN 328 Cb 0.10 0.08 -0.16 0.00 1.10 0.00 0.00 33.01 34.13 1xai s GLN 328 CO 0.82 -0.02 2.37 1.19 -0.55 0.00 0.00 175.29 179.10 1xai n PHE 329 N 1.69 1.14 0.00 1.67 3.72 -1.26 0.27 117.46 124.70 1xai n PHE 329 Ca -0.11 0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 1xai n PHE 329 Cb 0.57 -2.44 0.00 0.00 -0.94 0.00 0.00 39.48 36.67 1xai n PHE 329 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xai n GLY 330 N 6.69 1.08 2.21 1.37 0.00 -1.26 -4.66 105.19 110.63 1xai n GLY 330 Ca 0.52 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.30 1xai n GLY 330 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xai n ASP 331 N 0.00 0.45 -4.82 1.61 4.64 0.77 -5.10 116.55 114.09 1xai n ASP 331 Ca 0.00 -2.75 -0.38 0.00 -1.38 0.00 0.00 54.79 50.28 1xai n ASP 331 Cb 0.00 -0.64 -0.06 0.00 -1.04 0.00 0.00 41.12 39.38 1xai n ASP 331 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1xai s ILE 332 N -1.28 5.06 0.03 5.18 1.09 -1.26 -1.43 121.20 128.60 1xai s ILE 332 Ca 0.35 0.83 0.02 0.00 -1.10 0.00 0.00 60.65 60.75 1xai s ILE 332 Cb 0.17 -3.71 -0.02 0.00 -1.06 0.00 0.00 42.46 37.84 1xai s ILE 332 CO -0.10 0.55 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.52 1xai s VAL 333 N -0.83 0.56 -0.10 2.92 1.01 0.45 -4.98 120.40 119.43 1xai s VAL 333 Ca 0.23 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1xai s VAL 333 Cb -0.16 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 1xai s VAL 333 CO 0.12 -0.20 -0.11 -0.69 0.00 0.00 0.00 175.10 174.23 1xai s VAL 334 N -0.95 3.32 -0.03 2.92 1.01 -1.26 -0.37 120.40 125.04 1xai s VAL 334 Ca -0.05 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.02 1xai s VAL 334 Cb -0.07 -2.37 0.12 0.00 0.00 0.00 0.00 36.38 34.06 1xai s VAL 334 CO 0.00 0.56 1.23 0.00 0.00 0.00 0.00 175.10 176.89 1xai s GLN 335 N -0.23 0.48 0.62 2.72 -2.07 -0.94 -4.98 119.66 115.26 1xai s GLN 335 Ca 0.02 -0.25 -0.18 0.00 -1.82 0.00 0.00 55.36 53.13 1xai s GLN 335 Cb -0.13 0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 31.93 1xai s GLN 335 CO 0.03 -0.22 1.00 1.58 -1.32 0.00 0.00 175.29 176.36 1xai n HIS 336 N -0.41 0.91 -2.94 9.60 -0.00 -1.26 -2.22 115.22 118.89 1xai n HIS 336 Ca -0.07 0.43 -0.14 0.00 -0.00 0.00 0.00 57.72 57.94 1xai n HIS 336 Cb 0.62 -2.14 0.02 0.00 -0.00 0.00 0.00 29.99 28.48 1xai n HIS 336 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1xai n VAL 337 N -1.87 -0.17 -0.93 3.57 0.31 -1.12 -4.85 118.33 113.27 1xai n VAL 337 Ca 0.14 -2.81 -0.31 0.00 -0.01 0.00 0.00 64.34 61.35 1xai n VAL 337 Cb 0.48 0.40 0.02 0.00 -0.91 0.00 0.00 33.84 33.83 1xai n VAL 337 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1xai n ASP 338 N 0.78 -4.20 0.15 4.52 5.68 -1.26 -4.46 116.55 117.76 1xai n ASP 338 Ca 0.15 0.32 0.10 0.00 -0.50 0.00 0.00 54.79 54.86 1xai n ASP 338 Cb 0.64 -0.67 0.17 0.00 -1.14 0.00 0.00 41.12 40.12 1xai n ASP 338 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1xai h GLN 339 N -0.48 0.00 0.00 0.11 3.07 -1.98 -2.83 115.11 113.00 1xai h GLN 339 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.38 1xai h GLN 339 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.70 1xai h GLN 339 CO 0.26 0.00 0.00 -0.11 0.09 0.00 0.00 178.83 179.07 1xai n LEU 340 N -2.76 0.00 -0.26 0.06 -0.00 -1.26 0.12 117.00 112.90 1xai n LEU 340 Ca 0.07 0.55 0.04 0.00 -0.00 0.00 0.00 56.01 56.67 1xai n LEU 340 Cb 1.15 -0.05 0.13 0.00 -0.00 0.00 0.00 43.42 44.65 1xai n LEU 340 CO 0.08 -0.05 0.78 0.74 -0.00 0.00 0.00 177.39 178.94 1xai h THR 341 N 0.00 0.31 0.00 1.96 2.02 -1.77 1.01 112.91 116.44 1xai h THR 341 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1xai h THR 341 Cb 0.00 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1xai h THR 341 CO 0.00 0.01 0.00 0.18 0.37 0.00 0.00 175.52 176.08 1xai n LEU 342 N -5.40 0.60 -0.02 2.58 4.77 -0.98 0.68 117.00 119.22 1xai n LEU 342 Ca 0.12 0.74 -0.15 0.00 -0.03 0.00 0.00 56.01 56.69 1xai n LEU 342 Cb 0.44 -0.77 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 1xai n LEU 342 CO 0.03 -0.86 -0.75 1.67 -1.33 0.00 0.00 177.39 176.15 1xai n GLN 343 N -2.26 0.69 0.00 3.23 -0.06 0.34 -3.87 117.38 115.45 1xai n GLN 343 Ca -0.01 0.25 0.10 0.00 -2.00 0.00 0.00 57.00 55.34 1xai n GLN 343 Cb 0.09 -1.72 0.01 0.00 -4.06 0.00 0.00 30.24 24.55 1xai n GLN 343 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1xai n HIS 344 N -3.23 0.00 -0.02 3.69 8.25 -0.64 -4.04 115.22 119.23 1xai n HIS 344 Ca -0.27 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.23 1xai n HIS 344 Cb 1.05 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 32.03 1xai n HIS 344 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xai n ALA 345 N 0.08 2.30 0.59 -1.41 0.00 0.21 -2.31 120.51 119.97 1xai n ALA 345 Ca 0.09 -0.71 0.12 0.00 0.00 0.00 0.00 53.44 52.94 1xai n ALA 345 Cb 0.42 -0.67 0.27 0.00 0.00 0.00 0.00 19.45 19.48 1xai n ALA 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xai n GLU 347 N -2.20 0.68 0.18 0.00 1.02 -1.25 -3.38 120.64 115.69 1xai n GLU 347 Ca 0.04 0.10 0.06 0.00 -0.02 0.00 0.00 57.16 57.34 1xai n GLU 347 Cb 0.44 -1.57 0.27 0.00 -0.02 0.00 0.00 31.44 30.56 1xai n GLU 347 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1xai h GLN 348 N 0.01 0.00 0.00 3.49 4.15 -1.53 -1.69 115.11 119.54 1xai h GLN 348 Ca -0.52 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.90 1xai h GLN 348 Cb 2.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.79 1xai h GLN 348 CO 0.01 0.35 -0.19 -0.11 -1.93 0.00 0.00 178.83 176.96 1xai n LEU 349 N -3.37 0.72 0.13 -2.39 7.94 -0.93 -2.64 117.00 116.46 1xai n LEU 349 Ca 0.01 0.46 0.08 0.00 -1.11 0.00 0.00 56.01 55.44 1xai n LEU 349 Cb 0.56 -0.29 0.03 0.00 0.53 0.00 0.00 43.42 44.25 1xai n LEU 349 CO 0.37 -0.13 0.23 0.50 -1.11 0.00 0.00 177.39 177.26 1xai h LYS 350 N 0.00 0.00 0.00 1.96 1.63 -1.35 -3.23 116.57 115.58 1xai h LYS 350 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xai h LYS 350 Cb 0.72 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 1xai h LYS 350 CO 0.00 0.13 0.16 2.41 -3.45 0.00 0.00 179.45 178.69 1xai n THR 351 N -2.91 0.92 0.27 1.00 -1.04 -0.79 -4.98 114.28 106.76 1xai n THR 351 Ca -0.00 0.70 0.03 0.00 -2.04 0.00 0.00 64.05 62.74 1xai n THR 351 Cb 0.63 -1.70 0.03 0.00 -1.82 0.00 0.00 70.33 67.46 1xai n THR 351 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21