#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyg h ASP 16 N 0.00 -0.50 -2.98 4.39 3.32 -1.84 -3.44 116.42 115.37 1xyg h ASP 16 Ca 0.00 0.02 -0.62 0.00 0.02 0.00 0.00 57.03 56.45 1xyg h ASP 16 Cb 0.00 0.14 -0.08 0.00 0.22 0.00 0.00 39.33 39.61 1xyg h ASP 16 CO 0.00 -0.35 -0.36 -0.63 -1.72 0.00 0.00 179.24 176.19 1xyg s ILE 17 N -6.10 5.30 -0.21 0.35 -1.09 -0.23 -5.05 121.20 114.17 1xyg s ILE 17 Ca -0.16 0.49 -0.09 0.00 -2.23 0.00 0.00 60.65 58.66 1xyg s ILE 17 Cb 0.05 -3.56 -0.05 0.00 -1.58 0.00 0.00 42.46 37.32 1xyg s ILE 17 CO 0.64 0.53 0.11 -0.13 -1.23 0.00 0.00 174.94 174.86 1xyg s ARG 18 N -0.52 4.06 -0.09 2.79 0.52 -1.26 -1.50 118.95 122.93 1xyg s ARG 18 Ca 0.17 -0.29 -0.01 0.00 -0.52 0.00 0.00 55.73 55.09 1xyg s ARG 18 Cb -0.14 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 1xyg s ARG 18 CO 0.06 0.20 -0.05 0.42 0.02 0.00 0.00 175.30 175.95 1xyg s ILE 19 N 0.63 3.82 -0.10 1.52 -1.09 0.15 -1.53 121.20 124.59 1xyg s ILE 19 Ca 0.06 -0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 58.06 1xyg s ILE 19 Cb -0.12 -2.60 -0.03 0.00 -1.58 0.00 0.00 42.46 38.14 1xyg s ILE 19 CO 0.01 0.57 -0.08 -0.83 -1.23 0.00 0.00 174.94 173.38 1xyg s GLY 20 N -0.50 1.65 -0.25 6.18 0.00 -0.36 -1.08 107.32 112.96 1xyg s GLY 20 Ca 0.08 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.93 1xyg s GLY 20 CO 0.02 -0.40 -0.11 -2.27 0.00 0.00 0.00 173.10 170.34 1xyg s LEU 21 N -0.21 3.19 -0.42 0.66 2.96 0.84 -1.02 118.68 124.68 1xyg s LEU 21 Ca 0.02 -1.14 -0.19 0.00 -0.22 0.00 0.00 54.13 52.61 1xyg s LEU 21 Cb -0.13 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 45.00 1xyg s LEU 21 CO 0.03 -0.15 0.55 -0.76 -1.32 0.00 0.00 176.35 174.70 1xyg s LEU 22 N 1.20 4.60 0.00 -0.68 1.02 -0.21 -0.61 118.68 124.00 1xyg s LEU 22 Ca -0.04 -0.41 0.00 0.00 0.02 0.00 0.00 54.13 53.70 1xyg s LEU 22 Cb -0.18 -2.59 0.00 0.00 0.02 0.00 0.00 46.19 43.44 1xyg s LEU 22 CO -0.06 -0.66 0.00 0.61 0.02 0.00 0.00 176.35 176.26 1xyg n GLY 23 N 5.02 0.32 0.28 -3.19 0.00 0.11 0.08 105.19 107.82 1xyg n GLY 23 Ca -0.04 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.60 1xyg n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyg n ALA 24 N -0.46 3.35 1.61 4.61 0.00 0.04 -4.30 120.51 125.36 1xyg n ALA 24 Ca 0.00 -0.48 0.15 0.00 0.00 0.00 0.00 53.44 53.11 1xyg n ALA 24 Cb 0.23 -1.02 0.74 0.00 0.00 0.00 0.00 19.45 19.40 1xyg n ALA 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xyg n SER 25 N -0.60 0.34 -4.98 0.00 3.41 -1.26 -4.08 113.62 106.45 1xyg n SER 25 Ca 0.10 -0.72 -0.20 0.00 -0.26 0.00 0.00 58.87 57.80 1xyg n SER 25 Cb 0.38 -0.08 0.05 0.00 -0.26 0.00 0.00 64.21 64.30 1xyg n SER 25 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1xyg s GLY 26 N -2.29 1.79 0.21 5.00 0.00 -1.26 -4.95 107.32 105.82 1xyg s GLY 26 Ca 0.36 -1.94 -0.08 0.00 0.00 0.00 0.00 44.72 43.06 1xyg s GLY 26 CO 0.42 -1.54 1.77 -0.97 0.00 0.00 0.00 173.10 172.79 1xyg h TYR 27 N 0.18 1.22 -0.18 1.90 0.05 -1.94 -1.13 116.97 117.07 1xyg h TYR 27 Ca -0.34 -0.10 -0.07 0.00 0.05 0.00 0.00 58.73 58.27 1xyg h TYR 27 Cb 1.28 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 38.65 1xyg h TYR 27 CO 0.34 0.93 -0.21 1.79 -1.05 0.00 0.00 178.16 179.96 1xyg h THR 28 N 1.16 1.23 -0.28 -2.88 1.35 -1.94 -0.25 112.91 111.30 1xyg h THR 28 Ca 0.26 -1.06 -0.08 0.00 -0.55 0.00 0.00 66.41 64.99 1xyg h THR 28 Cb 0.24 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1xyg h THR 28 CO -0.02 0.33 -0.13 1.23 -0.25 0.00 0.00 175.52 176.68 1xyg h GLY 29 N 0.93 0.62 1.01 5.82 0.00 -1.64 -1.38 103.07 108.44 1xyg h GLY 29 Ca 0.05 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1xyg h GLY 29 CO 0.04 0.51 0.55 0.00 0.00 0.00 0.00 176.54 177.64 1xyg h ALA 30 N 0.75 1.14 -0.74 3.60 0.00 -0.82 -1.83 119.26 121.35 1xyg h ALA 30 Ca 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xyg h ALA 30 Cb 0.64 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1xyg h ALA 30 CO 0.04 0.58 0.36 0.93 0.00 0.00 0.00 179.25 181.16 1xyg h GLU 31 N 1.22 1.06 -0.01 0.00 4.39 -0.83 0.90 114.58 121.31 1xyg h GLU 31 Ca 0.32 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.88 1xyg h GLU 31 Cb -0.08 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.37 1xyg h GLU 31 CO -0.06 0.83 -0.06 0.82 -1.16 0.00 0.00 179.01 179.38 1xyg h ILE 32 N 1.04 0.84 -0.89 3.13 1.08 -0.72 0.90 117.51 122.88 1xyg h ILE 32 Ca 0.25 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.74 1xyg h ILE 32 Cb 0.11 0.84 -0.05 0.00 -3.07 0.00 0.00 36.82 34.65 1xyg h ILE 32 CO -0.03 0.00 0.59 0.58 -0.69 0.00 0.00 178.15 178.60 1xyg h VAL 33 N -0.10 1.21 -0.17 1.67 2.07 -0.98 -0.55 116.25 119.40 1xyg h VAL 33 Ca 0.03 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1xyg h VAL 33 Cb 0.14 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1xyg h VAL 33 CO -0.07 0.22 0.06 -0.09 0.02 0.00 0.00 177.57 177.70 1xyg h ARG 34 N 1.19 0.27 -0.66 1.57 2.43 -0.36 -2.25 114.38 116.56 1xyg h ARG 34 Ca 0.33 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1xyg h ARG 34 Cb -0.11 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 1xyg h ARG 34 CO -0.08 0.37 0.34 -0.07 -1.51 0.00 0.00 179.97 179.02 1xyg h LEU 35 N 0.11 0.85 -1.20 3.80 3.38 -0.47 -2.82 115.31 118.96 1xyg h LEU 35 Ca 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1xyg h LEU 35 Cb 0.21 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xyg h LEU 35 CO -0.00 0.73 -0.04 -0.07 0.09 0.00 0.00 178.44 179.15 1xyg h LEU 36 N 0.91 0.00 -0.80 1.67 3.38 -1.06 -3.30 115.31 116.11 1xyg h LEU 36 Ca 0.23 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.39 1xyg h LEU 36 Cb 0.09 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.71 1xyg h LEU 36 CO -0.03 0.04 0.15 0.00 0.09 0.00 0.00 178.44 178.69 1xyg h ALA 37 N 1.96 1.03 -0.31 1.53 0.00 -1.13 -0.87 119.26 121.48 1xyg h ALA 37 Ca -0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1xyg h ALA 37 Cb 0.62 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1xyg h ALA 37 CO 0.00 -0.41 0.00 0.09 0.00 0.00 0.00 179.25 178.94 1xyg n ASN 38 N -5.23 4.17 -4.68 0.00 3.02 -1.24 -4.95 115.26 106.34 1xyg n ASN 38 Ca 0.17 -3.00 -0.43 0.00 -0.03 0.00 0.00 54.58 51.29 1xyg n ASN 38 Cb 0.55 -0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 1xyg n ASN 38 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1xyg s HIS 39 N -2.81 3.32 0.51 3.10 2.46 -0.33 -4.81 115.29 116.73 1xyg s HIS 39 Ca 0.44 1.40 0.36 0.00 0.47 0.00 0.00 55.06 57.74 1xyg s HIS 39 Cb 0.35 -3.30 1.94 0.00 -0.13 0.00 0.00 32.58 31.44 1xyg s HIS 39 CO 0.10 -0.73 2.22 -1.00 -2.47 0.00 0.00 174.74 172.86 1xyg h PRO 40 N 7.37 0.00 0.00 2.88 0.13 -1.92 -3.34 132.00 137.12 1xyg h PRO 40 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1xyg h PRO 40 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1xyg h PRO 40 CO 0.89 0.03 -0.92 0.72 -0.23 0.00 0.00 178.00 178.49 1xyg n HIS 41 N -3.35 0.00 -3.81 1.56 8.25 -1.26 -4.77 115.22 111.84 1xyg n HIS 41 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 1xyg n HIS 41 Cb 0.15 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 1xyg n HIS 41 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1xyg s PHE 42 N -1.86 3.58 -0.03 4.41 0.08 -1.26 -1.07 117.98 121.83 1xyg s PHE 42 Ca 0.00 0.54 0.01 0.00 0.12 0.00 0.00 56.93 57.60 1xyg s PHE 42 Cb 0.00 -2.02 0.02 0.00 -0.57 0.00 0.00 43.02 40.46 1xyg s PHE 42 CO 0.00 0.64 -0.02 -1.14 -0.10 0.00 0.00 175.22 174.61 1xyg s GLN 43 N -0.76 0.48 -0.10 0.44 0.74 -0.56 -4.69 119.66 115.21 1xyg s GLN 43 Ca 0.15 0.00 -0.30 0.00 0.05 0.00 0.00 55.36 55.26 1xyg s GLN 43 Cb -0.12 -0.59 -0.03 0.00 1.10 0.00 0.00 33.01 33.37 1xyg s GLN 43 CO 0.04 -0.10 1.27 0.08 -0.55 0.00 0.00 175.29 176.02 1xyg s VAL 44 N 0.92 4.18 0.00 1.34 1.01 -1.26 0.32 120.40 126.92 1xyg s VAL 44 Ca -0.10 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1xyg s VAL 44 Cb -0.13 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1xyg s VAL 44 CO -0.01 -0.07 0.00 0.35 0.00 0.00 0.00 175.10 175.38 1xyg n THR 45 N 5.00 0.00 -3.71 3.92 -2.24 -0.24 -4.72 114.28 112.29 1xyg n THR 45 Ca 0.13 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.35 1xyg n THR 45 Cb 0.45 0.99 -0.14 0.00 -2.10 0.00 0.00 70.33 69.54 1xyg n THR 45 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xyg s LEU 46 N -1.74 0.28 -0.03 3.22 2.96 -1.11 -4.83 118.68 117.43 1xyg s LEU 46 Ca 0.00 0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.39 1xyg s LEU 46 Cb 0.00 0.58 0.00 0.00 0.50 0.00 0.00 46.19 47.27 1xyg s LEU 46 CO 0.00 -0.19 -0.09 -0.04 -1.32 0.00 0.00 176.35 174.72 1xyg s MET 47 N 1.61 0.93 -0.13 1.98 -1.94 -1.26 -0.11 119.30 120.38 1xyg s MET 47 Ca -0.06 -0.29 0.02 0.00 -1.71 0.00 0.00 55.69 53.66 1xyg s MET 47 Cb -0.11 -0.87 0.00 0.00 2.01 0.00 0.00 34.83 35.86 1xyg s MET 47 CO -0.08 0.10 -0.20 0.95 -0.01 0.00 0.00 175.02 175.78 1xyg s THR 48 N 0.22 2.29 -0.31 2.05 -4.23 0.22 -0.91 115.64 114.98 1xyg s THR 48 Ca -0.03 -0.92 0.02 0.00 -1.18 0.00 0.00 61.69 59.57 1xyg s THR 48 Cb -0.09 -1.92 0.15 0.00 1.34 0.00 0.00 72.50 71.99 1xyg s THR 48 CO 0.00 0.54 0.38 0.00 -0.54 0.00 0.00 174.62 175.01 1xyg s ALA 49 N 0.57 -0.90 0.01 3.99 0.00 -0.32 0.06 121.76 125.18 1xyg s ALA 49 Ca -0.12 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.54 1xyg s ALA 49 Cb -0.17 -2.02 -0.08 0.00 0.00 0.00 0.00 23.12 20.85 1xyg s ALA 49 CO 0.04 -1.83 1.03 -0.44 0.00 0.00 0.00 175.76 174.55 1xyg h ASP 50 N 7.95 -0.43 -0.76 0.00 3.32 -1.97 -1.04 116.42 123.48 1xyg h ASP 50 Ca -0.07 0.01 0.17 0.00 0.02 0.00 0.00 57.03 57.16 1xyg h ASP 50 Cb 1.10 0.11 -0.14 0.00 0.22 0.00 0.00 39.33 40.62 1xyg h ASP 50 CO 0.27 -0.27 -0.06 0.03 -1.72 0.00 0.00 179.24 177.49 1xyg h ARG 51 N -0.60 0.06 -1.48 3.56 3.08 -1.98 0.32 114.38 117.35 1xyg h ARG 51 Ca -0.05 -0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.28 1xyg h ARG 51 Cb 0.39 -0.01 -0.28 0.00 0.08 0.00 0.00 29.97 30.15 1xyg h ARG 51 CO 0.09 0.04 0.95 1.63 -1.07 0.00 0.00 179.97 181.61 1xyg n LYS 52 N -5.40 2.70 -2.42 0.04 5.02 -1.23 -4.99 118.16 111.88 1xyg n LYS 52 Ca 0.13 -3.36 -0.32 0.00 -2.02 0.00 0.00 58.31 52.74 1xyg n LYS 52 Cb 0.46 -2.27 -0.04 0.00 -0.02 0.00 0.00 35.03 33.16 1xyg n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xyg s ALA 53 N -3.89 3.04 0.00 7.82 0.00 0.10 -3.51 121.76 125.32 1xyg s ALA 53 Ca 0.59 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1xyg s ALA 53 Cb 0.47 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1xyg s ALA 53 CO -0.20 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1xyg n GLY 54 N -1.44 2.78 3.86 0.00 0.00 0.01 -4.99 105.19 105.41 1xyg n GLY 54 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1xyg n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xyg s GLN 55 N -0.07 1.03 0.29 1.61 -0.21 -1.23 -4.72 119.66 116.35 1xyg s GLN 55 Ca 0.00 -0.07 -0.02 0.00 0.02 0.00 0.00 55.36 55.29 1xyg s GLN 55 Cb 0.00 -1.86 -0.04 0.00 1.00 0.00 0.00 33.01 32.11 1xyg s GLN 55 CO 0.00 -2.21 0.51 0.45 -2.12 0.00 0.00 175.29 171.92 1xyg s SER 56 N -4.53 6.37 0.41 5.90 0.15 -1.26 -1.85 113.70 118.89 1xyg s SER 56 Ca 0.68 0.53 0.15 0.00 0.70 0.00 0.00 55.95 58.01 1xyg s SER 56 Cb -0.09 -2.07 0.87 0.00 -1.71 0.00 0.00 66.02 63.02 1xyg s SER 56 CO 0.52 -0.19 1.89 -0.03 1.20 0.00 0.00 173.24 176.63 1xyg h MET 57 N 1.44 0.00 -0.25 5.44 4.05 -1.91 -2.01 114.93 121.68 1xyg h MET 57 Ca -0.48 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 58.89 1xyg h MET 57 Cb 1.20 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.99 1xyg h MET 57 CO 0.65 0.29 -0.05 0.93 0.23 0.00 0.00 176.91 178.96 1xyg h GLU 58 N 0.00 0.39 -0.11 0.39 5.08 -1.91 0.40 114.58 118.82 1xyg h GLU 58 Ca -0.00 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1xyg h GLU 58 Cb 0.54 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1xyg h GLU 58 CO 0.04 0.46 -0.31 0.66 -1.00 0.00 0.00 179.01 178.86 1xyg h SER 59 N 0.37 0.21 0.02 1.42 4.64 -1.75 -2.01 113.55 116.45 1xyg h SER 59 Ca 0.08 -0.07 -0.21 0.00 -0.47 0.00 0.00 61.79 61.13 1xyg h SER 59 Cb 0.33 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1xyg h SER 59 CO 0.01 0.52 -1.11 0.58 -0.87 0.00 0.00 176.83 175.96 1xyg h VAL 60 N 0.19 1.05 -2.94 0.95 2.07 -1.29 -3.43 116.25 112.84 1xyg h VAL 60 Ca 0.03 -2.23 -0.61 0.00 0.82 0.00 0.00 66.70 64.70 1xyg h VAL 60 Cb 0.64 2.46 -0.41 0.00 -1.52 0.00 0.00 31.29 32.46 1xyg h VAL 60 CO 0.05 0.42 -0.70 -0.36 0.02 0.00 0.00 177.57 176.99 1xyg s PHE 61 N -2.36 2.62 0.59 1.57 0.08 0.13 -4.97 117.98 115.65 1xyg s PHE 61 Ca -0.26 -2.89 0.32 0.00 0.12 0.00 0.00 56.93 54.23 1xyg s PHE 61 Cb 0.04 -2.14 1.76 0.00 -0.57 0.00 0.00 43.02 42.11 1xyg s PHE 61 CO 0.63 -0.68 1.99 -1.00 -0.10 0.00 0.00 175.22 176.05 1xyg h PRO 62 N 5.90 0.00 0.00 0.24 0.13 -1.55 -1.02 132.00 135.69 1xyg h PRO 62 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1xyg h PRO 62 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1xyg h PRO 62 CO 0.58 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.96 1xyg n HIS 63 N -2.86 0.26 -0.16 1.56 1.44 -1.26 -2.29 115.22 111.91 1xyg n HIS 63 Ca -0.02 0.10 0.09 0.00 -2.01 0.00 0.00 57.72 55.88 1xyg n HIS 63 Cb 0.28 -0.66 0.30 0.00 0.12 0.00 0.00 29.99 30.03 1xyg n HIS 63 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1xyg n LEU 64 N -1.74 3.80 0.16 2.39 4.77 -0.39 -4.55 117.00 121.45 1xyg n LEU 64 Ca 0.03 -1.91 0.11 0.00 -0.03 0.00 0.00 56.01 54.22 1xyg n LEU 64 Cb 0.19 -0.48 0.59 0.00 -2.33 0.00 0.00 43.42 41.39 1xyg n LEU 64 CO 0.15 0.78 0.84 -2.11 -1.33 0.00 0.00 177.39 175.72 1xyg n ARG 65 N 1.14 0.15 0.22 3.23 -4.01 -0.97 -1.74 116.66 114.69 1xyg n ARG 65 Ca 0.22 0.61 0.14 0.00 -1.04 0.00 0.00 57.85 57.78 1xyg n ARG 65 Cb 0.67 -1.96 0.36 0.00 -3.04 0.00 0.00 32.46 28.49 1xyg n ARG 65 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1xyg h ALA 66 N 2.04 1.00 -2.61 2.89 0.00 -1.87 -3.44 119.26 117.26 1xyg h ALA 66 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1xyg h ALA 66 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1xyg h ALA 66 CO 0.00 0.00 -0.20 -0.65 0.00 0.00 0.00 179.25 178.40 1xyg s GLN 67 N -3.34 3.73 -0.58 0.00 -0.21 -0.71 -5.05 119.66 113.51 1xyg s GLN 67 Ca 0.06 0.14 -0.12 0.00 0.02 0.00 0.00 55.36 55.45 1xyg s GLN 67 Cb 0.07 -2.75 0.15 0.00 1.00 0.00 0.00 33.01 31.48 1xyg s GLN 67 CO 0.61 0.39 0.50 0.15 -2.12 0.00 0.00 175.29 174.82 1xyg s LYS 68 N -2.68 2.92 0.19 2.91 3.01 -1.26 -5.04 119.74 119.78 1xyg s LYS 68 Ca 0.44 -1.93 0.07 0.00 -1.01 0.00 0.00 55.97 53.53 1xyg s LYS 68 Cb -0.12 -4.17 -0.04 0.00 -1.01 0.00 0.00 37.83 32.50 1xyg s LYS 68 CO 0.22 -1.27 0.07 -0.51 0.51 0.00 0.00 175.35 174.38 1xyg s LEU 69 N 1.12 3.54 0.89 3.17 1.43 -1.26 -5.09 118.68 122.48 1xyg s LEU 69 Ca 0.08 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 1xyg s LEU 69 Cb -0.24 -2.15 0.13 0.00 0.03 0.00 0.00 46.19 43.95 1xyg s LEU 69 CO -0.01 0.06 1.10 -2.16 0.23 0.00 0.00 176.35 175.56 1xyg s PRO 70 N -3.19 1.30 0.26 1.29 0.04 -1.26 -4.92 135.00 128.51 1xyg s PRO 70 Ca 0.30 0.71 -0.30 0.00 0.04 0.00 0.00 61.00 61.75 1xyg s PRO 70 Cb -0.09 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 1xyg s PRO 70 CO 0.21 -2.19 1.05 0.99 0.04 0.00 0.00 177.00 177.11 1xyg s THR 71 N -3.00 3.70 0.23 1.26 2.01 -1.26 -4.65 115.64 113.93 1xyg s THR 71 Ca 0.63 1.68 -0.31 0.00 0.31 0.00 0.00 61.69 63.99 1xyg s THR 71 Cb -0.17 -4.07 -0.13 0.00 0.01 0.00 0.00 72.50 68.14 1xyg s THR 71 CO 0.56 0.39 1.41 0.18 -0.69 0.00 0.00 174.62 176.47 1xyg n LEU 72 N 1.42 3.06 -4.62 4.42 4.77 -0.77 -4.74 117.00 120.54 1xyg n LEU 72 Ca -0.01 1.14 -0.28 0.00 -0.03 0.00 0.00 56.01 56.83 1xyg n LEU 72 Cb 0.46 -1.42 -0.10 0.00 -2.33 0.00 0.00 43.42 40.02 1xyg n LEU 72 CO 0.53 -0.50 -0.27 -0.69 -1.33 0.00 0.00 177.39 175.12 1xyg s VAL 73 N 0.00 1.62 0.02 4.08 1.01 -0.09 -0.81 120.40 126.23 1xyg s VAL 73 Ca 0.69 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.62 1xyg s VAL 73 Cb -0.66 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1xyg s VAL 73 CO 0.49 0.00 0.25 -0.55 0.00 0.00 0.00 175.10 175.29 1xyg s SER 74 N -3.70 6.45 0.13 3.32 0.15 -1.26 -1.17 113.70 117.62 1xyg s SER 74 Ca 0.29 0.48 -0.24 0.00 0.70 0.00 0.00 55.95 57.17 1xyg s SER 74 Cb 0.08 -2.06 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 1xyg s SER 74 CO 0.14 0.22 1.64 0.58 1.20 0.00 0.00 173.24 177.02 1xyg h VAL 75 N 2.78 0.43 0.00 4.45 2.07 -1.93 0.11 116.25 124.15 1xyg h VAL 75 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1xyg h VAL 75 Cb 1.19 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1xyg h VAL 75 CO 0.69 0.00 0.09 0.29 0.02 0.00 0.00 177.57 178.66 1xyg n LYS 76 N -5.37 0.03 -0.03 1.57 5.02 -1.26 -0.86 118.16 117.26 1xyg n LYS 76 Ca -0.03 0.46 0.03 0.00 -2.02 0.00 0.00 58.31 56.74 1xyg n LYS 76 Cb 0.28 -1.68 0.04 0.00 -0.02 0.00 0.00 35.03 33.65 1xyg n LYS 76 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1xyg n ASP 77 N -1.59 1.78 -4.82 4.39 8.00 0.30 -5.02 116.55 119.59 1xyg n ASP 77 Ca -0.00 -1.47 -0.38 0.00 0.71 0.00 0.00 54.79 53.64 1xyg n ASP 77 Cb 0.10 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 1xyg n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xyg s ALA 78 N -0.63 3.58 -0.50 2.24 0.00 -0.04 -4.86 121.76 121.55 1xyg s ALA 78 Ca 0.08 0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.96 1xyg s ALA 78 Cb 0.05 -2.62 0.13 0.00 0.00 0.00 0.00 23.12 20.68 1xyg s ALA 78 CO 0.07 0.41 0.38 0.34 0.00 0.00 0.00 175.76 176.96 1xyg s ASP 79 N -1.22 5.73 0.00 0.00 -1.08 -1.26 -4.95 116.67 113.88 1xyg s ASP 79 Ca 0.31 -2.03 0.16 0.00 -0.52 0.00 0.00 52.55 50.47 1xyg s ASP 79 Cb -0.19 -2.01 0.94 0.00 -1.46 0.00 0.00 42.92 40.20 1xyg s ASP 79 CO 0.19 -0.67 1.41 0.49 0.52 0.00 0.00 175.17 177.11 1xyg n PHE 80 N 4.75 0.00 1.52 -5.34 3.72 -1.26 -2.22 117.46 118.63 1xyg n PHE 80 Ca -0.05 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.49 1xyg n PHE 80 Cb 0.41 -0.07 0.67 0.00 -0.94 0.00 0.00 39.48 39.54 1xyg n PHE 80 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1xyg n SER 81 N -1.07 0.47 0.08 4.37 3.41 -1.26 -3.31 113.62 116.31 1xyg n SER 81 Ca 0.11 -0.72 0.12 0.00 -0.26 0.00 0.00 58.87 58.12 1xyg n SER 81 Cb 0.07 -0.07 0.14 0.00 -0.26 0.00 0.00 64.21 64.10 1xyg n SER 81 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1xyg h THR 82 N 0.63 0.00 -2.87 6.66 2.02 -1.89 -3.47 112.91 113.99 1xyg h THR 82 Ca 0.00 -0.65 -0.63 0.00 0.77 0.00 0.00 66.41 65.90 1xyg h THR 82 Cb 0.31 1.26 -0.16 0.00 -1.74 0.00 0.00 68.15 67.81 1xyg h THR 82 CO 0.00 0.00 -0.78 0.68 0.37 0.00 0.00 175.52 175.79 1xyg s VAL 83 N -3.21 2.59 -0.06 3.16 -7.23 -1.21 -4.89 120.40 109.54 1xyg s VAL 83 Ca 0.05 -2.05 0.09 0.00 -1.81 0.00 0.00 61.98 58.25 1xyg s VAL 83 Cb 0.12 -2.28 -0.24 0.00 0.56 0.00 0.00 36.38 34.54 1xyg s VAL 83 CO 0.73 -0.20 0.60 0.47 -0.31 0.00 0.00 175.10 176.39 1xyg n ASP 84 N -0.05 1.13 -3.88 4.85 8.00 -0.58 -4.88 116.55 121.13 1xyg n ASP 84 Ca -0.10 0.37 -0.09 0.00 0.71 0.00 0.00 54.79 55.68 1xyg n ASP 84 Cb 0.57 -0.23 -0.08 0.00 -0.02 0.00 0.00 41.12 41.36 1xyg n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xyg s ALA 85 N -2.59 -0.18 0.01 2.24 0.00 -1.10 -2.96 121.76 117.18 1xyg s ALA 85 Ca -0.08 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.35 1xyg s ALA 85 Cb 0.08 0.37 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 1xyg s ALA 85 CO 0.81 -0.42 -0.10 0.08 0.00 0.00 0.00 175.76 176.13 1xyg s VAL 86 N -3.28 0.76 -0.19 0.00 1.01 -0.40 -1.23 120.40 117.07 1xyg s VAL 86 Ca 0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1xyg s VAL 86 Cb 0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 1xyg s VAL 86 CO -0.08 0.08 -0.06 -0.36 0.00 0.00 0.00 175.10 174.68 1xyg s PHE 87 N -0.48 2.94 -0.30 5.22 0.08 -0.19 -1.43 117.98 123.81 1xyg s PHE 87 Ca 0.01 -0.76 -0.07 0.00 0.12 0.00 0.00 56.93 56.23 1xyg s PHE 87 Cb -0.05 -2.02 0.01 0.00 -0.57 0.00 0.00 43.02 40.39 1xyg s PHE 87 CO 0.00 -0.38 0.10 0.00 -0.10 0.00 0.00 175.22 174.84 1xyg s LEU 90 N -3.40 2.18 0.52 0.00 1.43 -1.15 -4.65 118.68 113.61 1xyg s LEU 90 Ca 0.44 0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 54.11 1xyg s LEU 90 Cb 0.39 -3.05 -0.07 0.00 0.03 0.00 0.00 46.19 43.50 1xyg s LEU 90 CO -0.02 -2.50 1.11 -2.84 0.23 0.00 0.00 176.35 172.33 1xyg s PRO 91 N -5.48 3.51 0.53 1.29 0.02 -1.26 -4.75 135.00 128.85 1xyg s PRO 91 Ca 0.65 1.56 -0.22 0.00 0.02 0.00 0.00 61.00 63.02 1xyg s PRO 91 Cb -0.11 -2.07 -0.05 0.00 0.02 0.00 0.00 34.50 32.28 1xyg s PRO 91 CO 0.52 -0.71 1.35 -1.58 -0.33 0.00 0.00 177.00 176.25 1xyg s HIS 92 N -1.80 2.35 0.00 6.54 5.65 -1.26 -2.26 115.29 124.51 1xyg s HIS 92 Ca 0.70 1.37 0.00 0.00 0.25 0.00 0.00 55.06 57.39 1xyg s HIS 92 Cb -0.22 -3.79 0.00 0.00 -1.18 0.00 0.00 32.58 27.39 1xyg s HIS 92 CO 0.26 -2.81 0.00 0.41 -0.65 0.00 0.00 174.74 171.95 1xyg n GLY 93 N 0.69 2.19 0.00 1.59 0.00 -1.26 -4.70 105.19 103.70 1xyg n GLY 93 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1xyg n GLY 93 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xyg n THR 94 N -2.00 0.00 -0.06 2.61 -2.24 -0.96 -4.79 114.28 106.85 1xyg n THR 94 Ca 0.00 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 1xyg n THR 94 Cb 0.00 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.13 1xyg n THR 94 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1xyg h THR 95 N 0.01 1.39 -0.44 4.28 2.02 -1.82 -3.28 112.91 115.06 1xyg h THR 95 Ca 0.00 -1.97 0.09 0.00 0.77 0.00 0.00 66.41 65.30 1xyg h THR 95 Cb 0.00 2.59 -0.09 0.00 -1.74 0.00 0.00 68.15 68.91 1xyg h THR 95 CO 0.00 0.46 -0.14 1.56 0.37 0.00 0.00 175.52 177.77 1xyg h GLN 96 N -0.97 -0.03 -0.16 6.66 4.20 -1.91 -0.47 115.11 122.43 1xyg h GLN 96 Ca -0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 1xyg h GLN 96 Cb 0.76 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1xyg h GLN 96 CO 0.00 -0.02 -0.44 0.93 -0.67 0.00 0.00 178.83 178.63 1xyg h GLU 97 N -0.03 0.38 -0.17 1.46 5.08 -1.84 -1.63 114.58 117.82 1xyg h GLU 97 Ca 0.22 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1xyg h GLU 97 Cb 0.36 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1xyg h GLU 97 CO -0.48 0.75 -0.21 0.82 -1.00 0.00 0.00 179.01 178.89 1xyg h ILE 98 N 0.31 1.34 -0.28 3.13 2.04 -1.52 -3.04 117.51 119.49 1xyg h ILE 98 Ca 0.02 -1.41 -0.10 0.00 1.00 0.00 0.00 64.86 64.37 1xyg h ILE 98 Cb 0.90 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1xyg h ILE 98 CO 0.08 0.42 -0.26 0.40 0.00 0.00 0.00 178.15 178.79 1xyg h ILE 99 N 0.09 1.27 -0.08 -0.67 2.04 -1.09 -2.72 117.51 116.35 1xyg h ILE 99 Ca 0.02 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 1xyg h ILE 99 Cb 0.77 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1xyg h ILE 99 CO 0.05 0.42 -0.03 0.50 0.00 0.00 0.00 178.15 179.09 1xyg h LYS 100 N 0.48 0.12 -0.01 2.37 3.64 -1.28 -2.26 116.57 119.62 1xyg h LYS 100 Ca 0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1xyg h LYS 100 Cb 0.71 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1xyg h LYS 100 CO 0.05 0.16 -0.23 0.39 -2.27 0.00 0.00 179.45 177.56 1xyg n GLU 101 N -4.43 1.07 -2.19 1.90 -0.58 -1.04 -4.93 120.64 110.43 1xyg n GLU 101 Ca -0.02 -0.67 -0.38 0.00 -0.42 0.00 0.00 57.16 55.67 1xyg n GLU 101 Cb 0.16 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.53 1xyg n GLU 101 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1xyg s LEU 102 N -2.40 4.15 0.44 -4.62 1.43 -0.85 -4.95 118.68 111.88 1xyg s LEU 102 Ca 0.26 2.45 -0.24 0.00 -1.03 0.00 0.00 54.13 55.58 1xyg s LEU 102 Cb 0.19 -4.04 -0.10 0.00 0.03 0.00 0.00 46.19 42.28 1xyg s LEU 102 CO 0.49 -0.82 1.02 -0.81 0.23 0.00 0.00 176.35 176.46 1xyg n PRO 103 N -0.07 1.34 0.28 1.29 -0.04 -1.26 -4.89 135.00 131.66 1xyg n PRO 103 Ca 0.05 0.49 0.16 0.00 -0.04 0.00 0.00 63.50 64.16 1xyg n PRO 103 Cb 0.46 -2.09 0.84 0.00 -0.04 0.00 0.00 33.50 32.67 1xyg n PRO 103 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1xyg h THR 104 N 1.45 0.30 0.00 0.52 2.02 -1.97 -2.92 112.91 112.31 1xyg h THR 104 Ca -0.45 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1xyg h THR 104 Cb 1.34 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1xyg h THR 104 CO 0.56 0.06 0.00 0.00 0.37 0.00 0.00 175.52 176.51 1xyg n ALA 105 N -2.19 2.25 -2.45 6.16 0.00 -1.26 -4.84 120.51 118.18 1xyg n ALA 105 Ca -0.02 -0.12 -0.38 0.00 0.00 0.00 0.00 53.44 52.93 1xyg n ALA 105 Cb 0.21 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 1xyg n ALA 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xyg s LEU 106 N -2.56 4.47 -0.12 0.00 1.02 -1.11 -4.94 118.68 115.45 1xyg s LEU 106 Ca 0.24 1.05 -0.21 0.00 0.02 0.00 0.00 54.13 55.23 1xyg s LEU 106 Cb 0.17 -2.72 -0.04 0.00 0.02 0.00 0.00 46.19 43.62 1xyg s LEU 106 CO 0.37 0.26 0.61 -0.54 0.02 0.00 0.00 176.35 177.07 1xyg s LYS 107 N -0.83 4.34 -0.06 1.70 -0.14 -1.15 -4.84 119.74 118.76 1xyg s LYS 107 Ca 0.26 0.67 0.04 0.00 -1.36 0.00 0.00 55.97 55.58 1xyg s LYS 107 Cb -0.18 -3.48 0.00 0.00 -1.68 0.00 0.00 37.83 32.50 1xyg s LYS 107 CO 0.15 0.01 -0.19 0.42 -0.76 0.00 0.00 175.35 174.99 1xyg s ILE 108 N 1.05 1.58 -0.26 2.17 1.01 0.21 -1.27 121.20 125.68 1xyg s ILE 108 Ca 0.31 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.22 1xyg s ILE 108 Cb -0.16 -1.37 0.07 0.00 0.01 0.00 0.00 42.46 41.00 1xyg s ILE 108 CO 0.13 0.45 -0.08 -0.69 0.00 0.00 0.00 174.94 174.76 1xyg s VAL 109 N 0.21 2.04 -0.24 2.92 1.01 -0.52 -0.15 120.40 125.68 1xyg s VAL 109 Ca -0.09 -1.64 -0.18 0.00 0.00 0.00 0.00 61.98 60.07 1xyg s VAL 109 Cb -0.14 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1xyg s VAL 109 CO 0.04 -0.12 0.50 -0.62 0.00 0.00 0.00 175.10 174.90 1xyg s ASP 110 N 1.14 6.47 0.03 3.32 2.15 0.25 -1.25 116.67 128.78 1xyg s ASP 110 Ca -0.06 0.56 0.26 0.00 0.43 0.00 0.00 52.55 53.74 1xyg s ASP 110 Cb -0.20 -2.28 0.72 0.00 -0.30 0.00 0.00 42.92 40.86 1xyg s ASP 110 CO -0.06 -0.23 1.58 0.18 -0.17 0.00 0.00 175.17 176.47 1xyg n LEU 111 N 5.18 0.40 -4.68 -1.34 4.32 0.43 -0.20 117.00 121.10 1xyg n LEU 111 Ca -0.05 0.22 -0.30 0.00 -0.02 0.00 0.00 56.01 55.86 1xyg n LEU 111 Cb 0.50 -0.32 0.22 0.00 -1.62 0.00 0.00 43.42 42.21 1xyg n LEU 111 CO 0.41 0.04 0.69 -0.94 -1.22 0.00 0.00 177.39 176.36 1xyg s SER 112 N -3.28 1.54 0.00 -1.43 1.04 -1.25 -4.81 113.70 105.51 1xyg s SER 112 Ca 0.11 0.56 0.23 0.00 0.48 0.00 0.00 55.95 57.33 1xyg s SER 112 Cb 0.17 -0.77 0.12 0.00 0.10 0.00 0.00 66.02 65.64 1xyg s SER 112 CO 0.65 -3.74 1.17 0.00 0.98 0.00 0.00 173.24 172.30 1xyg n ALA 113 N -4.49 3.43 0.18 5.32 0.00 -1.26 -4.57 120.51 119.13 1xyg n ALA 113 Ca 0.13 -0.61 0.12 0.00 0.00 0.00 0.00 53.44 53.08 1xyg n ALA 113 Cb 0.59 -0.84 0.66 0.00 0.00 0.00 0.00 19.45 19.86 1xyg n ALA 113 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xyg h ASP 114 N 2.41 0.00 0.00 0.00 3.32 -1.96 -2.60 116.42 117.59 1xyg h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xyg h ASP 114 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1xyg h ASP 114 CO 0.00 0.00 -0.00 0.49 -1.72 0.00 0.00 179.24 178.01 1xyg n PHE 115 N -2.35 0.00 0.01 4.55 3.72 -1.26 -4.76 117.46 117.37 1xyg n PHE 115 Ca -0.02 -0.47 -0.18 0.00 -0.05 0.00 0.00 57.45 56.73 1xyg n PHE 115 Cb 0.04 -0.05 -0.10 0.00 -0.94 0.00 0.00 39.48 38.43 1xyg n PHE 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xyg h ARG 116 N 0.00 0.58 -6.22 -1.08 3.08 -1.76 -3.45 114.38 105.53 1xyg h ARG 116 Ca 0.00 -0.58 -0.56 0.00 0.07 0.00 0.00 59.98 58.91 1xyg h ARG 116 Cb 0.59 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.76 1xyg h ARG 116 CO 0.00 1.20 0.38 -0.51 -1.07 0.00 0.00 179.97 179.97 1xyg s LEU 117 N -8.29 4.29 0.13 3.04 1.43 -1.26 -4.95 118.68 113.07 1xyg s LEU 117 Ca -0.12 1.46 0.12 0.00 -1.03 0.00 0.00 54.13 54.57 1xyg s LEU 117 Cb 0.06 -3.43 -0.11 0.00 0.03 0.00 0.00 46.19 42.74 1xyg s LEU 117 CO 0.87 -0.31 1.14 0.03 0.23 0.00 0.00 176.35 178.31 1xyg h ARG 118 N 6.97 0.00 -6.27 1.70 3.08 -1.94 -3.43 114.38 114.48 1xyg h ARG 118 Ca -0.36 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.10 1xyg h ARG 118 Cb 1.18 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.14 1xyg h ARG 118 CO 0.80 0.62 0.69 1.21 -1.07 0.00 0.00 179.97 182.22 1xyg s ASN 119 N -6.35 6.62 0.15 7.04 3.84 -1.26 -4.93 114.94 120.05 1xyg s ASN 119 Ca 0.00 0.42 -0.17 0.00 0.21 0.00 0.00 52.86 53.33 1xyg s ASN 119 Cb 0.09 -2.49 0.04 0.00 -0.55 0.00 0.00 41.25 38.35 1xyg s ASN 119 CO 0.80 -1.02 1.75 0.40 -2.79 0.00 0.00 177.10 176.23 1xyg h ILE 120 N 6.00 0.90 -0.64 -5.21 1.08 -2.00 -1.66 117.51 115.98 1xyg h ILE 120 Ca -0.23 -0.08 0.02 0.00 -0.39 0.00 0.00 64.86 64.18 1xyg h ILE 120 Cb 1.07 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 35.42 1xyg h ILE 120 CO 1.04 0.04 0.42 0.00 -0.69 0.00 0.00 178.15 178.96 1xyg h ALA 121 N 1.22 1.61 -0.52 1.87 0.00 -1.99 -1.49 119.26 119.96 1xyg h ALA 121 Ca 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1xyg h ALA 121 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1xyg h ALA 121 CO -0.16 0.33 0.08 1.49 0.00 0.00 0.00 179.25 180.99 1xyg h GLU 122 N 0.80 0.86 -0.67 0.00 4.81 -1.80 -1.51 114.58 117.07 1xyg h GLU 122 Ca 0.25 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1xyg h GLU 122 Cb 0.01 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1xyg h GLU 122 CO -0.06 0.85 0.30 -0.92 -0.73 0.00 0.00 179.01 178.45 1xyg h TYR 123 N 0.75 0.98 -0.38 0.92 3.20 -0.41 -2.46 116.97 119.57 1xyg h TYR 123 Ca 0.16 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1xyg h TYR 123 Cb 0.40 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1xyg h TYR 123 CO 0.03 0.75 0.07 1.49 -1.64 0.00 0.00 178.16 178.85 1xyg h GLU 124 N 0.93 0.62 -0.34 1.82 4.81 -1.07 0.11 114.58 121.47 1xyg h GLU 124 Ca 0.23 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 1xyg h GLU 124 Cb 0.15 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1xyg h GLU 124 CO -0.03 0.68 -0.23 1.05 -0.73 0.00 0.00 179.01 179.75 1xyg h GLU 125 N 0.47 0.66 0.00 1.92 4.11 -1.20 -0.95 114.58 119.59 1xyg h GLU 125 Ca 0.12 -0.26 -0.08 0.00 0.07 0.00 0.00 59.36 59.21 1xyg h GLU 125 Cb 0.35 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1xyg h GLU 125 CO 0.01 0.84 -0.92 -1.49 0.07 0.00 0.00 179.01 177.52 1xyg h TRP 126 N 0.58 0.00 -0.01 2.06 4.06 -1.37 -3.37 115.95 117.90 1xyg h TRP 126 Ca 0.08 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.03 1xyg h TRP 126 Cb 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.87 1xyg h TRP 126 CO 0.03 0.30 -0.04 0.66 -3.56 0.00 0.00 178.44 175.84 1xyg n TYR 127 N -2.92 0.00 -1.75 0.49 4.01 0.36 -4.90 117.16 112.46 1xyg n TYR 127 Ca -0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.59 1xyg n TYR 127 Cb 0.69 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.68 1xyg n TYR 127 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xyg n GLY 128 N 0.75 0.71 3.52 2.72 0.00 -0.36 -5.00 105.19 107.52 1xyg n GLY 128 Ca 0.07 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1xyg n GLY 128 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xyg s GLN 129 N -3.76 0.90 0.59 1.61 -2.07 -1.22 -5.07 119.66 110.64 1xyg s GLN 129 Ca 0.00 0.05 -0.20 0.00 -1.82 0.00 0.00 55.36 53.39 1xyg s GLN 129 Cb 0.00 0.42 -0.03 0.00 -1.09 0.00 0.00 33.01 32.31 1xyg s GLN 129 CO 0.00 -0.32 1.29 -2.14 -1.32 0.00 0.00 175.29 172.80 1xyg s PRO 130 N -1.78 2.94 -0.09 9.60 0.02 -1.26 -4.18 135.00 140.25 1xyg s PRO 130 Ca -0.04 2.04 -0.30 0.00 0.02 0.00 0.00 61.00 62.73 1xyg s PRO 130 Cb -0.00 -2.04 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 1xyg s PRO 130 CO 0.02 -1.29 1.16 -1.58 -0.33 0.00 0.00 177.00 174.97 1xyg s HIS 131 N -1.42 3.22 -0.79 6.54 2.46 -1.26 -4.92 115.29 119.12 1xyg s HIS 131 Ca 0.76 1.28 0.16 0.00 0.47 0.00 0.00 55.06 57.73 1xyg s HIS 131 Cb -0.36 -3.38 0.73 0.00 -0.13 0.00 0.00 32.58 29.44 1xyg s HIS 131 CO 0.40 -1.09 1.63 1.63 -2.47 0.00 0.00 174.74 174.84 1xyg n LYS 132 N 5.41 4.08 -2.71 2.88 5.02 -1.26 -4.30 118.16 127.28 1xyg n LYS 132 Ca 0.11 -2.84 -0.05 0.00 -2.02 0.00 0.00 58.31 53.51 1xyg n LYS 132 Cb 0.47 -2.03 0.09 0.00 -0.02 0.00 0.00 35.03 33.53 1xyg n LYS 132 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xyg n ALA 133 N 0.87 2.48 -0.28 7.82 0.00 -1.26 -4.69 120.51 125.44 1xyg n ALA 133 Ca 0.25 -1.99 0.08 0.00 0.00 0.00 0.00 53.44 51.79 1xyg n ALA 133 Cb 0.98 -0.92 0.21 0.00 0.00 0.00 0.00 19.45 19.73 1xyg n ALA 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xyg h VAL 134 N 3.50 0.29 0.27 0.00 2.07 -2.00 -1.81 116.25 118.57 1xyg h VAL 134 Ca -0.25 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1xyg h VAL 134 Cb 1.26 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1xyg h VAL 134 CO 0.10 0.02 -0.13 -0.33 0.02 0.00 0.00 177.57 177.25 1xyg h GLU 135 N 0.12 -0.35 -0.81 1.57 4.39 -1.97 -3.05 114.58 114.48 1xyg h GLU 135 Ca 0.48 0.02 0.18 0.00 0.34 0.00 0.00 59.36 60.38 1xyg h GLU 135 Cb 0.89 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.57 1xyg h GLU 135 CO -0.70 -0.05 0.54 1.25 -1.16 0.00 0.00 179.01 178.90 1xyg h LEU 136 N -0.65 0.36 -1.37 1.33 5.85 -1.89 -1.93 115.31 117.01 1xyg h LEU 136 Ca -0.04 0.03 0.18 0.00 0.84 0.00 0.00 57.88 58.89 1xyg h LEU 136 Cb 0.46 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 1xyg h LEU 136 CO 0.06 0.17 0.59 -0.61 -0.34 0.00 0.00 178.44 178.31 1xyg h GLN 137 N 0.37 0.53 0.00 1.25 5.75 -1.22 -1.68 115.11 120.11 1xyg h GLN 137 Ca 0.41 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.88 1xyg h GLN 137 Cb 1.03 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.46 1xyg h GLN 137 CO -0.13 0.35 0.00 1.63 -2.65 0.00 0.00 178.83 178.03 1xyg n LYS 138 N -4.56 0.02 -0.08 1.69 5.02 -0.72 -2.35 118.16 117.17 1xyg n LYS 138 Ca 0.19 0.19 0.09 0.00 -2.02 0.00 0.00 58.31 56.76 1xyg n LYS 138 Cb 0.60 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.23 1xyg n LYS 138 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1xyg n GLU 139 N -1.48 1.81 -2.77 1.97 0.28 -0.63 -4.98 120.64 114.84 1xyg n GLU 139 Ca 0.05 -1.77 -0.40 0.00 -0.16 0.00 0.00 57.16 54.87 1xyg n GLU 139 Cb 0.20 -1.35 -0.06 0.00 1.43 0.00 0.00 31.44 31.66 1xyg n GLU 139 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1xyg s VAL 140 N -1.29 4.22 -0.11 3.84 1.01 -0.99 -4.65 120.40 122.42 1xyg s VAL 140 Ca 0.25 2.05 0.01 0.00 0.00 0.00 0.00 61.98 64.28 1xyg s VAL 140 Cb 0.16 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1xyg s VAL 140 CO 0.22 0.45 -0.13 -0.69 0.00 0.00 0.00 175.10 174.95 1xyg s VAL 141 N -0.85 3.05 0.01 2.92 1.01 -1.07 -4.96 120.40 120.51 1xyg s VAL 141 Ca 0.42 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 1xyg s VAL 141 Cb -0.25 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 1xyg s VAL 141 CO 0.31 0.54 1.50 -0.47 0.00 0.00 0.00 175.10 176.98 1xyg s TYR 142 N 0.15 2.62 0.00 5.22 5.04 -1.26 -1.50 117.35 127.62 1xyg s TYR 142 Ca -0.07 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 1xyg s TYR 142 Cb -0.15 -3.78 0.00 0.00 0.35 0.00 0.00 41.96 38.38 1xyg s TYR 142 CO 0.05 -3.02 1.23 0.41 -1.34 0.00 0.00 175.55 172.87 1xyg n GLY 143 N 3.81 2.00 3.56 8.97 0.00 0.52 -4.74 105.19 119.30 1xyg n GLY 143 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1xyg n GLY 143 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xyg s LEU 144 N 0.00 3.89 0.11 0.99 2.96 -1.26 -4.52 118.68 120.85 1xyg s LEU 144 Ca 0.00 -2.24 -0.21 0.00 -0.22 0.00 0.00 54.13 51.46 1xyg s LEU 144 Cb 0.00 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 1xyg s LEU 144 CO 0.00 -1.21 1.09 0.41 -1.32 0.00 0.00 176.35 175.32 1xyg n THR 145 N 6.35 -0.46 0.33 3.68 -1.04 -1.26 -1.08 114.28 120.80 1xyg n THR 145 Ca 0.43 1.71 0.21 0.00 -2.04 0.00 0.00 64.05 64.37 1xyg n THR 145 Cb 0.47 -2.12 1.12 0.00 -1.82 0.00 0.00 70.33 67.97 1xyg n THR 145 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1xyg h GLU 146 N 0.00 0.00 0.02 -2.82 3.07 -1.99 -0.53 114.58 112.33 1xyg h GLU 146 Ca 0.11 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.58 1xyg h GLU 146 Cb 0.28 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.13 1xyg h GLU 146 CO -0.63 0.00 -2.22 -0.89 -1.40 0.00 0.00 179.01 173.87 1xyg n ILE 147 N -3.18 1.56 -1.29 3.13 2.08 -0.24 -4.61 119.36 116.82 1xyg n ILE 147 Ca -0.03 -0.43 -0.02 0.00 0.56 0.00 0.00 62.75 62.83 1xyg n ILE 147 Cb 0.11 -1.74 0.22 0.00 -0.75 0.00 0.00 39.64 37.48 1xyg n ILE 147 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1xyg n LEU 148 N -3.84 4.29 -0.30 1.39 4.77 -0.59 -4.80 117.00 117.92 1xyg n LEU 148 Ca -0.44 -3.53 -0.05 0.00 -0.03 0.00 0.00 56.01 51.96 1xyg n LEU 148 Cb 0.91 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1xyg n LEU 148 CO 0.20 1.06 0.58 -0.09 -1.33 0.00 0.00 177.39 177.81 1xyg h ARG 149 N 1.25 -0.09 -0.90 3.23 2.43 -1.30 -0.08 114.38 118.93 1xyg h ARG 149 Ca 0.19 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.44 1xyg h ARG 149 Cb 1.71 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 31.22 1xyg h ARG 149 CO 0.40 -0.06 0.58 0.93 -1.51 0.00 0.00 179.97 180.32 1xyg h GLU 150 N -0.09 0.96 0.00 0.20 4.39 -1.87 -1.46 114.58 116.71 1xyg h GLU 150 Ca 0.26 -0.06 -0.23 0.00 0.34 0.00 0.00 59.36 59.67 1xyg h GLU 150 Cb 0.56 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1xyg h GLU 150 CO -0.84 0.64 -0.96 -0.44 -1.16 0.00 0.00 179.01 176.25 1xyg h ASP 151 N 0.99 0.58 -0.67 1.42 3.32 -1.66 -3.28 116.42 117.11 1xyg h ASP 151 Ca 0.39 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1xyg h ASP 151 Cb 0.24 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1xyg h ASP 151 CO -0.15 1.26 0.41 0.40 -1.72 0.00 0.00 179.24 179.44 1xyg h ILE 152 N 0.25 1.19 -0.90 0.35 2.04 -0.36 -2.87 117.51 117.21 1xyg h ILE 152 Ca -0.09 -0.40 0.16 0.00 1.00 0.00 0.00 64.86 65.53 1xyg h ILE 152 Cb 1.59 0.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.85 1xyg h ILE 152 CO 0.17 0.19 0.58 0.11 0.00 0.00 0.00 178.15 179.20 1xyg h LYS 153 N 0.91 0.62 -0.51 2.37 1.57 -1.35 -2.04 116.57 118.14 1xyg h LYS 153 Ca 0.24 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1xyg h LYS 153 Cb -0.05 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1xyg h LYS 153 CO -0.05 0.41 0.00 0.36 -0.57 0.00 0.00 179.45 179.60 1xyg n LYS 154 N -4.57 3.82 -3.61 3.15 2.85 -1.10 -4.48 118.16 114.22 1xyg n LYS 154 Ca 0.18 -2.89 -0.30 0.00 -1.05 0.00 0.00 58.31 54.25 1xyg n LYS 154 Cb 0.52 -1.94 -0.04 0.00 -0.65 0.00 0.00 35.03 32.92 1xyg n LYS 154 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xyg s ALA 155 N -2.28 3.76 -0.21 0.58 0.00 -0.77 -5.01 121.76 117.83 1xyg s ALA 155 Ca 0.48 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 1xyg s ALA 155 Cb 0.34 -2.15 -0.20 0.00 0.00 0.00 0.00 23.12 21.11 1xyg s ALA 155 CO 0.17 0.55 -0.03 -2.13 0.00 0.00 0.00 175.76 174.32 1xyg n ARG 156 N -0.22 0.69 -4.09 0.00 0.63 -1.26 -4.88 116.66 107.53 1xyg n ARG 156 Ca -0.02 0.19 -0.33 0.00 -0.92 0.00 0.00 57.85 56.76 1xyg n ARG 156 Cb 0.52 -1.58 -0.16 0.00 0.45 0.00 0.00 32.46 31.70 1xyg n ARG 156 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1xyg s LEU 157 N -6.71 2.41 -0.09 6.15 2.96 -1.26 0.64 118.68 122.78 1xyg s LEU 157 Ca -0.31 -0.73 0.02 0.00 -0.22 0.00 0.00 54.13 52.90 1xyg s LEU 157 Cb 0.08 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 1xyg s LEU 157 CO 0.65 -0.03 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.80 1xyg s VAL 158 N 1.29 2.76 -0.48 1.68 1.01 0.78 -2.60 120.40 124.85 1xyg s VAL 158 Ca 0.03 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 1xyg s VAL 158 Cb -0.14 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.18 1xyg s VAL 158 CO -0.11 0.55 0.58 0.00 0.00 0.00 0.00 175.10 176.12 1xyg s ALA 159 N -0.05 3.40 0.04 5.51 0.00 -0.56 -0.59 121.76 129.51 1xyg s ALA 159 Ca -0.04 -1.65 -0.30 0.00 0.00 0.00 0.00 51.96 49.96 1xyg s ALA 159 Cb -0.14 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 1xyg s ALA 159 CO 0.04 -1.88 1.43 1.21 0.00 0.00 0.00 175.76 176.56 1xyg s ASN 160 N 2.42 6.81 1.04 0.00 2.47 0.71 -0.35 114.94 128.04 1xyg s ASN 160 Ca 0.15 2.21 -0.12 0.00 0.42 0.00 0.00 52.86 55.52 1xyg s ASN 160 Cb -0.18 -2.57 0.19 0.00 -1.45 0.00 0.00 41.25 37.24 1xyg s ASN 160 CO 0.13 -0.72 0.97 -0.81 -3.72 0.00 0.00 177.10 172.95 1xyg n PRO 161 N 5.04 -1.31 -1.85 0.43 -0.04 -1.26 -4.70 135.00 131.32 1xyg n PRO 161 Ca 0.13 -0.33 -0.29 0.00 -0.04 0.00 0.00 63.50 62.97 1xyg n PRO 161 Cb 0.43 -2.22 0.10 0.00 -0.04 0.00 0.00 33.50 31.78 1xyg n PRO 161 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1xyg s GLY 162 N -2.45 1.60 0.01 0.55 0.00 -1.26 -4.76 107.32 101.00 1xyg s GLY 162 Ca 0.66 -0.66 -0.21 0.00 0.00 0.00 0.00 44.72 44.51 1xyg s GLY 162 CO 0.62 -0.14 1.01 0.00 0.00 0.00 0.00 173.10 174.59 1xyg h TYR 164 N -1.01 -0.36 -0.91 0.00 0.05 -1.95 -1.85 116.97 110.93 1xyg h TYR 164 Ca -0.08 0.04 0.19 0.00 0.05 0.00 0.00 58.73 58.92 1xyg h TYR 164 Cb 0.59 0.21 -0.07 0.00 1.01 0.00 0.00 36.73 38.46 1xyg h TYR 164 CO 0.03 -0.22 0.59 -1.35 -1.05 0.00 0.00 178.16 176.16 1xyg h PRO 165 N -0.09 0.51 -0.29 4.88 0.11 -1.91 -1.41 132.00 133.79 1xyg h PRO 165 Ca 0.17 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 1xyg h PRO 165 Cb 0.35 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1xyg h PRO 165 CO -0.39 0.33 0.10 1.15 -0.21 0.00 0.00 178.00 178.98 1xyg h THR 166 N 0.52 1.19 0.00 -1.15 2.02 -1.15 -0.53 112.91 113.82 1xyg h THR 166 Ca 0.48 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1xyg h THR 166 Cb 1.02 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1xyg h THR 166 CO -0.21 0.21 -0.11 0.71 0.37 0.00 0.00 175.52 176.48 1xyg h THR 167 N 0.31 0.43 0.05 3.16 1.35 -1.10 -2.97 112.91 114.16 1xyg h THR 167 Ca 0.10 -0.59 -0.29 0.00 -0.55 0.00 0.00 66.41 65.07 1xyg h THR 167 Cb 0.23 1.41 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 1xyg h THR 167 CO -0.00 0.11 -1.60 -0.38 -0.25 0.00 0.00 175.52 173.40 1xyg n ILE 168 N -3.47 1.64 -0.11 6.82 5.41 -0.90 -4.40 119.36 124.36 1xyg n ILE 168 Ca -0.01 -0.30 -0.10 0.00 1.00 0.00 0.00 62.75 63.33 1xyg n ILE 168 Cb 0.27 -1.91 0.03 0.00 -0.71 0.00 0.00 39.64 37.32 1xyg n ILE 168 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1xyg h GLN 169 N -0.54 0.87 -0.67 0.38 4.20 -1.15 -2.56 115.11 115.64 1xyg h GLN 169 Ca -0.39 -0.40 0.12 0.00 0.06 0.00 0.00 58.65 58.04 1xyg h GLN 169 Cb 1.62 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 29.30 1xyg h GLN 169 CO -0.09 1.05 0.21 -0.07 -0.67 0.00 0.00 178.83 179.26 1xyg h LEU 170 N 0.74 0.14 0.18 1.46 3.38 -1.74 0.07 115.31 119.53 1xyg h LEU 170 Ca 0.08 0.11 -0.25 0.00 0.09 0.00 0.00 57.88 57.91 1xyg h LEU 170 Cb 0.85 0.12 0.03 0.00 0.09 0.00 0.00 40.66 41.74 1xyg h LEU 170 CO 0.07 0.06 -1.07 -0.65 0.09 0.00 0.00 178.44 176.94 1xyg h PRO 171 N 0.35 0.41 -0.05 1.13 0.11 -1.76 -3.39 132.00 128.81 1xyg h PRO 171 Ca 0.36 -0.68 -0.20 0.00 0.11 0.00 0.00 66.00 65.58 1xyg h PRO 171 Cb 0.52 0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 1xyg h PRO 171 CO -0.39 1.32 -0.83 -0.07 -0.21 0.00 0.00 178.00 177.82 1xyg h LEU 172 N -0.13 0.52 -0.01 2.35 3.38 -1.24 -3.31 115.31 116.88 1xyg h LEU 172 Ca -0.18 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.44 1xyg h LEU 172 Cb 1.84 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 42.39 1xyg h LEU 172 CO 0.20 1.15 -0.20 0.58 0.09 0.00 0.00 178.44 180.26 1xyg h VAL 173 N 0.26 0.53 -0.94 1.22 2.07 -1.18 0.32 116.25 118.52 1xyg h VAL 173 Ca -0.05 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1xyg h VAL 173 Cb 1.44 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1xyg h VAL 173 CO 0.14 0.00 0.62 -0.65 0.02 0.00 0.00 177.57 177.70 1xyg h PRO 174 N -0.32 1.18 -0.45 1.57 0.11 -1.77 0.02 132.00 132.34 1xyg h PRO 174 Ca 0.06 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 65.96 1xyg h PRO 174 Cb 0.40 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1xyg h PRO 174 CO -0.19 0.78 -0.25 -0.07 -0.21 0.00 0.00 178.00 178.07 1xyg h LEU 175 N 1.22 0.98 -0.26 2.35 3.38 -1.55 -2.25 115.31 119.18 1xyg h LEU 175 Ca 0.36 -0.38 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1xyg h LEU 175 Cb -0.04 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.44 1xyg h LEU 175 CO -0.10 1.17 -0.47 -0.07 0.09 0.00 0.00 178.44 179.06 1xyg h LEU 176 N 0.81 0.86 -1.40 1.67 3.38 -0.57 -0.12 115.31 119.94 1xyg h LEU 176 Ca 0.10 -0.53 0.04 0.00 0.09 0.00 0.00 57.88 57.58 1xyg h LEU 176 Cb 0.82 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1xyg h LEU 176 CO 0.07 1.23 0.44 0.50 0.09 0.00 0.00 178.44 180.77 1xyg h LYS 177 N 0.52 0.75 -0.35 1.13 3.11 -0.94 -0.55 116.57 120.23 1xyg h LYS 177 Ca 0.02 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1xyg h LYS 177 Cb 1.07 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 32.13 1xyg h LYS 177 CO 0.11 0.49 0.00 0.00 -2.81 0.00 0.00 179.45 177.24 1xyg n ALA 178 N -2.45 2.46 -3.17 5.00 0.00 -0.85 -4.93 120.51 116.57 1xyg n ALA 178 Ca 0.08 -0.69 -0.22 0.00 0.00 0.00 0.00 53.44 52.61 1xyg n ALA 178 Cb 0.15 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.61 1xyg n ALA 178 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xyg n ASN 179 N 0.67 -4.63 0.10 0.00 3.02 -0.22 -4.87 115.26 109.33 1xyg n ASN 179 Ca 0.15 -0.31 0.12 0.00 -0.03 0.00 0.00 54.58 54.51 1xyg n ASN 179 Cb 0.36 -3.80 0.16 0.00 -0.61 0.00 0.00 39.78 35.90 1xyg n ASN 179 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1xyg h LEU 180 N -1.06 0.00 -8.24 3.41 3.38 -1.27 -3.44 115.31 108.10 1xyg h LEU 180 Ca -0.46 -0.11 -0.29 0.00 0.09 0.00 0.00 57.88 57.12 1xyg h LEU 180 Cb 1.31 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.86 1xyg h LEU 180 CO 0.53 0.05 -0.73 0.27 0.09 0.00 0.00 178.44 178.65 1xyg s ILE 181 N -3.21 0.64 0.63 1.22 -4.36 -1.25 -1.30 121.20 113.57 1xyg s ILE 181 Ca 0.05 -1.23 -0.13 0.00 -0.26 0.00 0.00 60.65 59.09 1xyg s ILE 181 Cb 0.11 -0.82 -0.02 0.00 1.25 0.00 0.00 42.46 42.98 1xyg s ILE 181 CO 0.71 -0.43 1.04 -0.54 0.24 0.00 0.00 174.94 175.97 1xyg s LYS 182 N -1.91 3.29 -0.03 0.37 1.02 0.38 -4.69 119.74 118.16 1xyg s LYS 182 Ca -0.06 0.97 0.20 0.00 0.02 0.00 0.00 55.97 57.10 1xyg s LYS 182 Cb -0.08 -2.04 0.63 0.00 -0.52 0.00 0.00 37.83 35.82 1xyg s LYS 182 CO -0.00 -0.82 1.53 -2.39 -0.92 0.00 0.00 175.35 172.74 1xyg n HIS 183 N -2.61 1.06 -4.05 3.18 1.44 -1.26 -4.68 115.22 108.30 1xyg n HIS 183 Ca 0.07 -0.49 -0.29 0.00 -2.01 0.00 0.00 57.72 55.01 1xyg n HIS 183 Cb 0.54 -0.07 -0.06 0.00 0.12 0.00 0.00 29.99 30.52 1xyg n HIS 183 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1xyg s GLU 184 N -1.30 2.93 -1.45 -1.40 8.01 -1.26 -4.49 118.70 119.73 1xyg s GLU 184 Ca 0.47 -0.74 -0.10 0.00 0.01 0.00 0.00 54.97 54.60 1xyg s GLU 184 Cb 0.26 -2.72 0.04 0.00 -4.31 0.00 0.00 34.13 27.40 1xyg s GLU 184 CO 0.29 0.54 0.95 0.09 0.01 0.00 0.00 175.26 177.14 1xyg n ASN 185 N 0.11 -5.63 -4.59 -0.19 3.02 -1.26 -4.66 115.26 102.07 1xyg n ASN 185 Ca -0.08 -0.56 -0.43 0.00 -0.03 0.00 0.00 54.58 53.48 1xyg n ASN 185 Cb 0.53 -4.48 -0.04 0.00 -0.61 0.00 0.00 39.78 35.18 1xyg n ASN 185 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xyg s ILE 186 N -3.25 4.54 -0.19 2.41 1.01 -1.26 -4.66 121.20 119.80 1xyg s ILE 186 Ca 0.54 1.07 -0.04 0.00 0.00 0.00 0.00 60.65 62.23 1xyg s ILE 186 Cb -0.26 -4.37 -0.02 0.00 0.01 0.00 0.00 42.46 37.82 1xyg s ILE 186 CO 0.67 -0.64 -0.03 -0.63 0.00 0.00 0.00 174.94 174.31 1xyg s ILE 187 N 3.60 3.75 -0.21 2.92 1.01 -0.50 -1.98 121.20 129.79 1xyg s ILE 187 Ca 0.38 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.64 1xyg s ILE 187 Cb -0.11 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.70 1xyg s ILE 187 CO 0.21 0.45 -0.12 -0.63 0.00 0.00 0.00 174.94 174.85 1xyg s ILE 188 N 0.86 2.55 -0.42 2.92 1.01 0.11 -0.26 121.20 127.96 1xyg s ILE 188 Ca -0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.67 1xyg s ILE 188 Cb -0.14 -2.19 0.10 0.00 0.01 0.00 0.00 42.46 40.24 1xyg s ILE 188 CO 0.02 0.39 0.25 -0.62 0.00 0.00 0.00 174.94 174.97 1xyg s ASP 189 N 1.33 5.47 0.18 3.58 -1.08 -0.61 -0.90 116.67 124.63 1xyg s ASP 189 Ca 0.03 -1.82 0.05 0.00 -0.52 0.00 0.00 52.55 50.29 1xyg s ASP 189 Cb -0.15 -1.92 -0.04 0.00 -1.46 0.00 0.00 42.92 39.36 1xyg s ASP 189 CO -0.08 -0.57 0.17 0.00 0.52 0.00 0.00 175.17 175.21 1xyg s ALA 190 N 1.29 3.64 0.02 3.66 0.00 -0.49 -1.57 121.76 128.30 1xyg s ALA 190 Ca 0.05 -1.22 0.03 0.00 0.00 0.00 0.00 51.96 50.82 1xyg s ALA 190 Cb -0.24 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 1xyg s ALA 190 CO -0.01 0.46 -0.09 0.15 0.00 0.00 0.00 175.76 176.26 1xyg s LYS 191 N -3.27 0.67 -0.02 0.00 3.01 0.92 -0.69 119.74 120.37 1xyg s LYS 191 Ca 0.32 -0.50 -0.10 0.00 -1.01 0.00 0.00 55.97 54.68 1xyg s LYS 191 Cb -0.10 -0.61 0.01 0.00 -1.01 0.00 0.00 37.83 36.12 1xyg s LYS 191 CO 0.24 0.16 0.20 0.45 0.51 0.00 0.00 175.35 176.91 1xyg s SER 192 N -0.73 -0.08 0.68 2.83 0.15 -0.31 -1.26 113.70 114.98 1xyg s SER 192 Ca -0.00 -0.00 -0.14 0.00 0.70 0.00 0.00 55.95 56.50 1xyg s SER 192 Cb -0.06 0.28 0.01 0.00 -1.71 0.00 0.00 66.02 64.54 1xyg s SER 192 CO 0.00 -0.34 1.10 -0.83 1.20 0.00 0.00 173.24 174.37 1xyg s GLY 193 N -1.10 2.02 0.07 9.45 0.00 0.25 -0.25 107.32 117.77 1xyg s GLY 193 Ca -0.12 0.44 0.15 0.00 0.00 0.00 0.00 44.72 45.19 1xyg s GLY 193 CO 0.02 0.79 1.47 1.55 0.00 0.00 0.00 173.10 176.92 1xyg n VAL 194 N -2.64 1.10 0.30 1.40 3.14 0.22 -2.74 118.33 119.11 1xyg n VAL 194 Ca 0.10 0.30 0.16 0.00 -2.96 0.00 0.00 64.34 61.94 1xyg n VAL 194 Cb 0.52 -1.14 0.94 0.00 -1.06 0.00 0.00 33.84 33.10 1xyg n VAL 194 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1xyg h SER 195 N 0.00 0.00 0.64 6.55 4.64 -1.54 -0.04 113.55 123.79 1xyg h SER 195 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xyg h SER 195 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1xyg h SER 195 CO 0.00 0.02 0.00 1.23 -0.87 0.00 0.00 176.83 177.21 1xyg h GLY 196 N 0.14 0.00 1.60 -0.77 0.00 -1.75 -2.08 103.07 100.21 1xyg h GLY 196 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xyg h GLY 196 CO 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.50 1xyg n ALA 197 N -1.90 2.53 0.00 3.60 0.00 -0.03 -5.03 120.51 119.68 1xyg n ALA 197 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1xyg n ALA 197 Cb 0.21 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1xyg n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xyg n GLY 198 N 1.37 -0.74 0.88 0.00 0.00 -0.78 -4.56 105.19 101.35 1xyg n GLY 198 Ca 0.11 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.51 1xyg n GLY 198 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xyg n ARG 199 N -0.74 2.12 -1.71 1.61 0.63 -1.26 -4.91 116.66 112.39 1xyg n ARG 199 Ca 0.00 -1.72 -0.43 0.00 -0.92 0.00 0.00 57.85 54.77 1xyg n ARG 199 Cb 0.00 -1.40 -0.03 0.00 0.45 0.00 0.00 32.46 31.48 1xyg n ARG 199 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xyg n GLY 200 N 1.29 1.29 3.50 5.14 0.00 -1.26 -4.85 105.19 110.29 1xyg n GLY 200 Ca 0.17 0.57 -0.34 0.00 0.00 0.00 0.00 46.02 46.41 1xyg n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyg n ALA 201 N 3.05 2.55 -2.43 4.61 0.00 -1.26 -4.93 120.51 122.10 1xyg n ALA 201 Ca 0.13 -3.29 -0.32 0.00 0.00 0.00 0.00 53.44 49.96 1xyg n ALA 201 Cb 0.34 -3.53 -0.14 0.00 0.00 0.00 0.00 19.45 16.12 1xyg n ALA 201 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1xyg s LYS 202 N 5.63 2.38 0.23 0.00 -2.85 -1.26 -5.03 119.74 118.84 1xyg s LYS 202 Ca 0.63 -0.77 -0.07 0.00 -1.00 0.00 0.00 55.97 54.76 1xyg s LYS 202 Cb 0.03 -2.28 0.40 0.00 -2.06 0.00 0.00 37.83 33.92 1xyg s LYS 202 CO 0.11 0.60 1.67 1.49 0.10 0.00 0.00 175.35 179.32 1xyg h GLU 203 N 5.35 0.18 -0.11 1.78 4.81 -2.00 -1.23 114.58 123.36 1xyg h GLU 203 Ca -0.46 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.80 1xyg h GLU 203 Cb 1.14 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1xyg h GLU 203 CO 0.49 0.12 0.13 0.00 -0.73 0.00 0.00 179.01 179.02 1xyg h ALA 204 N 1.61 1.70 -0.65 2.92 0.00 -1.98 -2.46 119.26 120.40 1xyg h ALA 204 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1xyg h ALA 204 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xyg h ALA 204 CO -0.55 -0.19 0.00 0.09 0.00 0.00 0.00 179.25 178.60 1xyg n ASN 205 N -3.81 4.34 -4.76 0.00 3.02 -0.46 -4.39 115.26 109.19 1xyg n ASN 205 Ca -0.00 -2.27 -0.34 0.00 -0.03 0.00 0.00 54.58 51.94 1xyg n ASN 205 Cb 0.24 -0.52 0.05 0.00 -0.61 0.00 0.00 39.78 38.93 1xyg n ASN 205 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xyg s LEU 206 N -1.51 3.47 0.18 3.41 1.43 -0.93 -4.81 118.68 119.92 1xyg s LEU 206 Ca 0.48 2.15 -0.13 0.00 -1.03 0.00 0.00 54.13 55.61 1xyg s LEU 206 Cb 0.29 -4.57 0.18 0.00 0.03 0.00 0.00 46.19 42.12 1xyg s LEU 206 CO 0.27 -1.69 1.74 0.22 0.23 0.00 0.00 176.35 177.12 1xyg h TYR 207 N 0.27 0.30 0.00 0.29 5.03 -1.93 -1.15 116.97 119.78 1xyg h TYR 207 Ca -0.48 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 60.85 1xyg h TYR 207 Cb 1.27 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 39.49 1xyg h TYR 207 CO 0.51 0.09 -0.03 0.77 -1.32 0.00 0.00 178.16 178.19 1xyg h SER 208 N 0.34 0.00 0.34 -2.11 0.02 -1.94 -0.24 113.55 109.96 1xyg h SER 208 Ca 0.24 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.87 1xyg h SER 208 Cb 0.27 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 1xyg h SER 208 CO -0.25 0.03 -1.90 -0.62 -1.14 0.00 0.00 176.83 172.94 1xyg n GLU 209 N -3.63 0.66 -0.05 3.45 -0.58 -0.66 -4.59 120.64 115.24 1xyg n GLU 209 Ca -0.03 0.23 -0.21 0.00 -0.42 0.00 0.00 57.16 56.73 1xyg n GLU 209 Cb 0.12 -1.72 -0.13 0.00 -0.57 0.00 0.00 31.44 29.14 1xyg n GLU 209 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1xyg h ILE 210 N 0.01 0.90 -3.17 -3.67 1.08 -0.94 -3.48 117.51 108.23 1xyg h ILE 210 Ca -0.36 -2.27 -0.58 0.00 -0.39 0.00 0.00 64.86 61.26 1xyg h ILE 210 Cb 2.06 2.44 0.14 0.00 -3.07 0.00 0.00 36.82 38.39 1xyg h ILE 210 CO 0.07 0.56 0.16 0.00 -0.69 0.00 0.00 178.15 178.24 1xyg n ALA 211 N -3.19 0.21 -3.52 1.87 0.00 -0.13 -3.57 120.51 112.19 1xyg n ALA 211 Ca -0.30 0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 1xyg n ALA 211 Cb 0.81 -2.09 0.08 0.00 0.00 0.00 0.00 19.45 18.25 1xyg n ALA 211 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xyg n GLU 212 N -0.05 -7.43 -3.60 0.00 -0.58 -1.26 -4.98 120.64 102.74 1xyg n GLU 212 Ca 0.10 0.79 0.01 0.00 -0.42 0.00 0.00 57.16 57.64 1xyg n GLU 212 Cb 0.41 -5.72 -0.01 0.00 -0.57 0.00 0.00 31.44 25.55 1xyg n GLU 212 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1xyg s GLY 213 N -3.44 -0.34 0.22 0.62 0.00 -1.23 -5.13 107.32 98.02 1xyg s GLY 213 Ca 0.49 1.48 0.01 0.00 0.00 0.00 0.00 44.72 46.70 1xyg s GLY 213 CO 0.69 0.43 0.09 -0.26 0.00 0.00 0.00 173.10 174.05 1xyg s ILE 214 N -2.01 0.40 -0.07 0.90 -4.36 -1.26 -3.96 121.20 110.84 1xyg s ILE 214 Ca 0.13 -1.99 -0.29 0.00 -0.26 0.00 0.00 60.65 58.24 1xyg s ILE 214 Cb 0.03 -2.48 0.11 0.00 1.25 0.00 0.00 42.46 41.37 1xyg s ILE 214 CO -0.04 -0.11 0.90 -0.94 0.24 0.00 0.00 174.94 174.99 1xyg s SER 215 N -3.23 -0.40 0.68 4.36 1.04 -1.23 -5.01 113.70 109.92 1xyg s SER 215 Ca 0.35 0.24 -0.07 0.00 0.48 0.00 0.00 55.95 56.95 1xyg s SER 215 Cb 0.07 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.61 1xyg s SER 215 CO 0.11 -0.51 1.00 -0.44 0.98 0.00 0.00 173.24 174.38 1xyg s SER 216 N -1.79 5.04 0.09 7.02 0.01 -1.26 -0.38 113.70 122.42 1xyg s SER 216 Ca 0.00 0.60 -0.25 0.00 1.31 0.00 0.00 55.95 57.61 1xyg s SER 216 Cb -0.01 -1.33 0.08 0.00 0.21 0.00 0.00 66.02 64.97 1xyg s SER 216 CO -0.03 -1.47 0.70 -0.72 0.41 0.00 0.00 173.24 172.14 1xyg s TYR 217 N -3.22 -0.48 -1.42 2.43 1.13 -0.87 -4.79 117.35 110.13 1xyg s TYR 217 Ca 0.59 0.33 -0.10 0.00 -1.41 0.00 0.00 57.07 56.48 1xyg s TYR 217 Cb -0.11 0.54 0.03 0.00 -1.10 0.00 0.00 41.96 41.33 1xyg s TYR 217 CO 0.46 -0.73 1.08 0.41 -2.51 0.00 0.00 175.55 174.25 1xyg n GLY 218 N -0.26 -0.53 3.77 5.49 0.00 -1.26 -3.53 105.19 108.87 1xyg n GLY 218 Ca -0.14 0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1xyg n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xyg s VAL 219 N -3.30 3.05 0.00 1.61 1.01 -1.26 -3.86 120.40 117.66 1xyg s VAL 219 Ca 0.58 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1xyg s VAL 219 Cb -0.27 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1xyg s VAL 219 CO 0.72 0.19 0.00 0.41 0.00 0.00 0.00 175.10 176.42 1xyg n THR 220 N 0.62 0.00 -3.90 3.92 -1.04 -1.26 -4.73 114.28 107.89 1xyg n THR 220 Ca 0.01 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.75 1xyg n THR 220 Cb 0.44 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.78 1xyg n THR 220 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1xyg s ARG 221 N 0.00 1.52 -0.00 -2.82 0.52 -1.25 -4.90 118.95 112.02 1xyg s ARG 221 Ca 0.00 -0.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 1xyg s ARG 221 Cb 0.00 -1.71 0.00 0.00 0.52 0.00 0.00 34.95 33.76 1xyg s ARG 221 CO 0.00 -0.31 -0.01 -1.58 0.02 0.00 0.00 175.30 173.42 1xyg s HIS 222 N 1.68 0.12 0.47 -0.53 2.46 -1.26 -4.69 115.29 113.54 1xyg s HIS 222 Ca 0.04 -0.01 0.23 0.00 0.47 0.00 0.00 55.06 55.79 1xyg s HIS 222 Cb -0.13 -0.10 1.26 0.00 -0.13 0.00 0.00 32.58 33.47 1xyg s HIS 222 CO -0.08 -0.01 1.68 0.00 -2.47 0.00 0.00 174.74 173.85 1xyg h ARG 223 N 6.25 0.00 0.00 2.88 3.08 -1.94 0.93 114.38 125.58 1xyg h ARG 223 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1xyg h ARG 223 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1xyg h ARG 223 CO 0.50 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.85 1xyg h HIS 224 N 0.00 0.00 0.07 3.04 3.86 -1.99 -3.36 115.15 116.76 1xyg h HIS 224 Ca 0.00 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1xyg h HIS 224 Cb 0.73 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.15 1xyg h HIS 224 CO 0.00 0.00 -0.48 0.28 0.86 0.00 0.00 177.93 178.59 1xyg h VAL 225 N 0.00 0.07 -0.49 2.45 2.07 -1.22 0.58 116.25 119.71 1xyg h VAL 225 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1xyg h VAL 225 Cb 0.85 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1xyg h VAL 225 CO 0.00 0.00 0.33 1.55 0.02 0.00 0.00 177.57 179.47 1xyg h PRO 226 N -0.67 0.48 -0.34 1.57 0.13 -1.78 -0.16 132.00 131.22 1xyg h PRO 226 Ca 0.02 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 1xyg h PRO 226 Cb 0.71 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1xyg h PRO 226 CO -0.30 0.31 0.03 1.49 -0.23 0.00 0.00 178.00 179.30 1xyg h GLU 227 N 0.49 0.58 0.03 0.86 4.81 -1.56 -0.48 114.58 119.30 1xyg h GLU 227 Ca 0.21 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1xyg h GLU 227 Cb 0.21 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1xyg h GLU 227 CO -0.05 0.68 -0.01 0.82 -0.73 0.00 0.00 179.01 179.71 1xyg h ILE 228 N 0.40 1.09 -0.23 2.32 2.04 -0.05 -2.86 117.51 120.22 1xyg h ILE 228 Ca 0.10 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 1xyg h ILE 228 Cb 0.40 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1xyg h ILE 228 CO 0.01 0.10 -0.11 -0.33 0.00 0.00 0.00 178.15 177.82 1xyg h GLU 229 N -0.21 0.38 0.07 2.37 5.08 -1.03 -2.13 114.58 119.11 1xyg h GLU 229 Ca -0.00 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1xyg h GLU 229 Cb 0.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xyg h GLU 229 CO 0.01 0.50 -0.03 0.37 -1.00 0.00 0.00 179.01 178.85 1xyg h GLN 230 N 0.35 -0.09 -0.60 2.33 4.15 -0.99 0.39 115.11 120.66 1xyg h GLN 230 Ca 0.07 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1xyg h GLN 230 Cb 0.42 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 1xyg h GLN 230 CO 0.02 -0.01 0.35 0.78 -1.93 0.00 0.00 178.83 178.04 1xyg h GLY 231 N -0.15 0.87 1.07 2.39 0.00 -1.33 -1.58 103.07 104.35 1xyg h GLY 231 Ca -0.01 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 46.79 1xyg h GLY 231 CO 0.02 0.36 -0.39 1.41 0.00 0.00 0.00 176.54 177.94 1xyg h LEU 232 N 0.81 0.90 -0.88 3.11 3.38 -1.24 -3.10 115.31 118.30 1xyg h LEU 232 Ca 0.21 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1xyg h LEU 232 Cb 0.00 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1xyg h LEU 232 CO -0.04 1.21 0.53 0.28 0.09 0.00 0.00 178.44 180.52 1xyg h SER 233 N 0.62 1.05 -0.95 -0.43 0.02 -0.07 -0.36 113.55 113.43 1xyg h SER 233 Ca 0.04 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1xyg h SER 233 Cb 0.98 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 1xyg h SER 233 CO 0.09 0.80 0.63 0.44 -1.14 0.00 0.00 176.83 177.65 1xyg h ASP 234 N 1.20 1.08 0.02 3.07 3.32 -1.25 0.15 116.42 124.02 1xyg h ASP 234 Ca 0.32 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.18 1xyg h ASP 234 Cb -0.06 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.24 1xyg h ASP 234 CO -0.06 0.78 -0.62 0.58 -1.72 0.00 0.00 179.24 178.20 1xyg h VAL 235 N 1.28 1.44 0.00 -1.35 2.07 -1.39 -3.24 116.25 115.06 1xyg h VAL 235 Ca 0.35 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1xyg h VAL 235 Cb -0.14 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1xyg h VAL 235 CO -0.08 0.62 0.00 0.00 0.02 0.00 0.00 177.57 178.13 1xyg n ALA 236 N -2.60 2.03 -3.86 1.67 0.00 -0.18 -4.65 120.51 112.93 1xyg n ALA 236 Ca -0.11 -0.07 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 1xyg n ALA 236 Cb 0.69 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.78 1xyg n ALA 236 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xyg n GLN 237 N -1.57 -4.77 -3.54 0.00 6.02 0.52 -4.93 117.38 109.11 1xyg n GLN 237 Ca 0.05 0.55 -0.16 0.00 -0.01 0.00 0.00 57.00 57.44 1xyg n GLN 237 Cb 0.27 -5.39 -0.06 0.00 1.02 0.00 0.00 30.24 26.08 1xyg n GLN 237 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1xyg s SER 238 N -3.19 -0.59 -0.03 1.08 0.15 -1.15 -5.07 113.70 104.91 1xyg s SER 238 Ca 0.64 0.69 -0.30 0.00 0.70 0.00 0.00 55.95 57.68 1xyg s SER 238 Cb -0.33 0.55 -0.06 0.00 -1.71 0.00 0.00 66.02 64.48 1xyg s SER 238 CO 0.78 -0.51 1.64 -0.75 1.20 0.00 0.00 173.24 175.60 1xyg s LYS 239 N -1.03 4.19 -0.19 5.44 2.36 -1.26 -4.38 119.74 124.87 1xyg s LYS 239 Ca -0.08 2.19 -0.08 0.00 -2.55 0.00 0.00 55.97 55.46 1xyg s LYS 239 Cb -0.01 -3.91 -0.04 0.00 -1.05 0.00 0.00 37.83 32.82 1xyg s LYS 239 CO 0.07 -0.81 0.07 0.08 1.55 0.00 0.00 175.35 176.31 1xyg s VAL 240 N 3.75 4.79 -0.24 4.02 1.01 -1.26 -5.02 120.40 127.45 1xyg s VAL 240 Ca 0.73 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.66 1xyg s VAL 240 Cb -0.34 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1xyg s VAL 240 CO 0.30 0.44 -0.07 -0.89 0.00 0.00 0.00 175.10 174.88 1xyg s THR 241 N 0.53 2.94 0.44 3.92 2.01 -1.26 -4.76 115.64 119.46 1xyg s THR 241 Ca 0.04 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.22 1xyg s THR 241 Cb -0.13 -2.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 1xyg s THR 241 CO 0.01 0.28 0.30 0.68 -0.69 0.00 0.00 174.62 175.19 1xyg s VAL 242 N 1.36 2.31 -0.18 3.82 -7.23 -1.26 -4.52 120.40 114.70 1xyg s VAL 242 Ca 0.02 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1xyg s VAL 242 Cb -0.16 -2.83 -0.00 0.00 0.56 0.00 0.00 36.38 33.95 1xyg s VAL 242 CO -0.05 0.00 -0.12 -0.55 -0.31 0.00 0.00 175.10 174.08 1xyg s SER 243 N -4.07 3.84 -0.12 4.85 0.15 -0.84 -5.03 113.70 112.49 1xyg s SER 243 Ca 0.42 -0.46 -0.02 0.00 0.70 0.00 0.00 55.95 56.60 1xyg s SER 243 Cb -0.00 -1.62 0.04 0.00 -1.71 0.00 0.00 66.02 62.73 1xyg s SER 243 CO 0.24 0.04 -0.00 0.12 1.20 0.00 0.00 173.24 174.84 1xyg s PHE 244 N 1.10 0.96 -0.24 3.44 5.36 -1.26 0.04 117.98 127.38 1xyg s PHE 244 Ca 0.00 -0.51 0.02 0.00 -0.96 0.00 0.00 56.93 55.48 1xyg s PHE 244 Cb -0.14 -0.96 0.06 0.00 -0.34 0.00 0.00 43.02 41.63 1xyg s PHE 244 CO -0.03 -0.46 -0.07 0.99 -1.46 0.00 0.00 175.22 174.18 1xyg s THR 245 N 1.88 1.77 0.60 0.12 2.01 -0.08 -4.50 115.64 117.43 1xyg s THR 245 Ca 0.03 -1.38 -0.15 0.00 0.31 0.00 0.00 61.69 60.51 1xyg s THR 245 Cb -0.14 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1xyg s THR 245 CO -0.07 -0.07 1.04 -2.84 -0.69 0.00 0.00 174.62 171.99 1xyg s PRO 246 N 1.29 3.40 -0.03 4.92 0.02 -1.23 -1.39 135.00 141.97 1xyg s PRO 246 Ca -0.07 1.08 -0.02 0.00 0.02 0.00 0.00 61.00 62.01 1xyg s PRO 246 Cb -0.19 -2.05 0.02 0.00 0.02 0.00 0.00 34.50 32.30 1xyg s PRO 246 CO -0.06 -0.74 0.08 -1.01 -0.33 0.00 0.00 177.00 174.95 1xyg s HIS 247 N -2.64 -0.08 -0.26 6.54 3.76 0.14 -2.05 115.29 120.70 1xyg s HIS 247 Ca 0.61 0.25 -0.18 0.00 -0.15 0.00 0.00 55.06 55.59 1xyg s HIS 247 Cb -0.14 -0.04 -0.03 0.00 1.11 0.00 0.00 32.58 33.48 1xyg s HIS 247 CO 0.40 -0.08 0.53 -1.17 -0.85 0.00 0.00 174.74 173.57 1xyg s LEU 248 N 0.46 4.05 0.00 0.89 2.96 0.49 -1.16 118.68 126.37 1xyg s LEU 248 Ca -0.04 0.55 -0.09 0.00 -0.22 0.00 0.00 54.13 54.33 1xyg s LEU 248 Cb -0.05 -2.69 -0.05 0.00 0.50 0.00 0.00 46.19 43.90 1xyg s LEU 248 CO -0.02 -0.30 0.31 -0.04 -1.32 0.00 0.00 176.35 174.98 1xyg s MET 249 N 2.34 3.68 -1.43 1.98 -1.94 0.66 -3.48 119.30 121.10 1xyg s MET 249 Ca 0.22 0.08 -0.14 0.00 -1.71 0.00 0.00 55.69 54.14 1xyg s MET 249 Cb -0.16 -3.11 0.03 0.00 2.01 0.00 0.00 34.83 33.61 1xyg s MET 249 CO 0.09 0.66 2.21 -0.35 -0.01 0.00 0.00 175.02 177.62 1xyg n PRO 250 N 1.36 2.80 -3.43 2.03 -0.04 -1.25 -3.46 135.00 133.00 1xyg n PRO 250 Ca -0.12 -2.57 -0.12 0.00 -0.04 0.00 0.00 63.50 60.64 1xyg n PRO 250 Cb 0.53 -3.28 -0.02 0.00 -0.04 0.00 0.00 33.50 30.69 1xyg n PRO 250 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xyg s MET 251 N 3.28 1.24 -0.06 0.54 0.23 -1.26 -4.84 119.30 118.42 1xyg s MET 251 Ca 0.47 -0.44 -0.04 0.00 -1.03 0.00 0.00 55.69 54.66 1xyg s MET 251 Cb 0.14 0.57 -0.02 0.00 -1.53 0.00 0.00 34.83 33.99 1xyg s MET 251 CO -0.08 -0.54 0.18 0.82 -2.03 0.00 0.00 175.02 173.37 1xyg h ILE 252 N 2.03 0.00 -2.16 3.16 2.04 -1.92 0.64 117.51 121.29 1xyg h ILE 252 Ca -0.33 -0.70 -0.53 0.00 1.00 0.00 0.00 64.86 64.29 1xyg h ILE 252 Cb 1.30 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 1xyg h ILE 252 CO 0.38 0.00 -0.58 -0.13 0.00 0.00 0.00 178.15 177.81 1xyg s ARG 253 N -1.93 2.57 0.00 2.37 0.52 -1.26 -1.79 118.95 119.44 1xyg s ARG 253 Ca -0.02 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 53.92 1xyg s ARG 253 Cb 0.00 -2.34 0.00 0.00 0.52 0.00 0.00 34.95 33.13 1xyg s ARG 253 CO 0.06 0.35 0.00 0.41 0.02 0.00 0.00 175.30 176.14 1xyg n GLY 254 N -1.05 3.44 3.39 -3.53 0.00 -1.26 -4.59 105.19 101.59 1xyg n GLY 254 Ca -0.07 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 1xyg n GLY 254 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xyg s MET 255 N -4.84 0.56 -0.03 1.61 0.00 -0.19 -0.59 119.30 115.84 1xyg s MET 255 Ca 0.00 0.72 -0.02 0.00 0.00 0.00 0.00 55.69 56.39 1xyg s MET 255 Cb 0.00 0.24 0.01 0.00 0.00 0.00 0.00 34.83 35.09 1xyg s MET 255 CO 0.00 -0.08 0.06 -1.14 0.00 0.00 0.00 175.02 173.86 1xyg s GLN 256 N 0.44 0.05 -0.14 4.11 0.74 -0.39 -1.68 119.66 122.79 1xyg s GLN 256 Ca -0.01 0.13 0.01 0.00 0.05 0.00 0.00 55.36 55.54 1xyg s GLN 256 Cb -0.04 -0.05 -0.00 0.00 1.10 0.00 0.00 33.01 34.02 1xyg s GLN 256 CO -0.02 -0.06 -0.17 -1.12 -0.55 0.00 0.00 175.29 173.37 1xyg s SER 257 N 0.36 3.52 -0.37 6.67 0.01 -0.41 -0.05 113.70 123.44 1xyg s SER 257 Ca -0.03 -0.49 -0.10 0.00 1.31 0.00 0.00 55.95 56.64 1xyg s SER 257 Cb -0.04 -1.53 0.03 0.00 0.21 0.00 0.00 66.02 64.69 1xyg s SER 257 CO -0.01 0.10 0.19 -0.89 0.41 0.00 0.00 173.24 173.04 1xyg s THR 258 N 0.71 4.46 -0.24 1.44 2.01 -0.61 -1.83 115.64 121.58 1xyg s THR 258 Ca -0.08 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 60.96 1xyg s THR 258 Cb -0.16 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1xyg s THR 258 CO 0.01 -0.21 0.10 -0.63 -0.69 0.00 0.00 174.62 173.20 1xyg s ILE 259 N 1.54 4.72 -0.37 1.82 1.01 0.18 -1.57 121.20 128.52 1xyg s ILE 259 Ca 0.02 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.52 1xyg s ILE 259 Cb -0.19 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.11 1xyg s ILE 259 CO 0.06 0.34 0.20 -0.31 0.00 0.00 0.00 174.94 175.24 1xyg s TYR 260 N 1.34 3.24 0.24 3.97 2.02 0.64 -0.58 117.35 128.22 1xyg s TYR 260 Ca 0.06 -0.96 0.09 0.00 -0.37 0.00 0.00 57.07 55.89 1xyg s TYR 260 Cb -0.15 -2.44 -0.05 0.00 -0.40 0.00 0.00 41.96 38.93 1xyg s TYR 260 CO 0.05 -0.65 -0.16 0.14 -1.57 0.00 0.00 175.55 173.37 1xyg s VAL 261 N 1.55 2.02 -0.23 0.71 -7.23 -0.80 -1.40 120.40 115.01 1xyg s VAL 261 Ca 0.02 -2.28 -0.10 0.00 -1.81 0.00 0.00 61.98 57.82 1xyg s VAL 261 Cb -0.19 -2.19 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 1xyg s VAL 261 CO 0.07 -0.49 0.13 -0.70 -0.31 0.00 0.00 175.10 173.80 1xyg s GLU 262 N -3.60 4.00 0.49 4.82 2.12 -1.26 -0.84 118.70 124.43 1xyg s GLU 262 Ca 0.26 -0.31 -0.19 0.00 0.36 0.00 0.00 54.97 55.09 1xyg s GLU 262 Cb -0.02 -3.46 -0.09 0.00 0.26 0.00 0.00 34.13 30.82 1xyg s GLU 262 CO 0.11 0.06 1.00 -1.64 -0.54 0.00 0.00 175.26 174.25 1xyg s MET 263 N 1.03 3.91 0.75 4.30 -1.94 0.10 -0.47 119.30 126.98 1xyg s MET 263 Ca 0.07 1.19 -0.11 0.00 -1.71 0.00 0.00 55.69 55.12 1xyg s MET 263 Cb -0.14 -2.12 0.04 0.00 2.01 0.00 0.00 34.83 34.62 1xyg s MET 263 CO 0.04 -0.32 1.08 0.00 -0.01 0.00 0.00 175.02 175.82 1xyg s ALA 264 N -2.23 2.37 0.10 3.03 0.00 -0.42 -4.53 121.76 120.07 1xyg s ALA 264 Ca 0.63 0.24 -0.36 0.00 0.00 0.00 0.00 51.96 52.47 1xyg s ALA 264 Cb -0.13 -3.25 -0.16 0.00 0.00 0.00 0.00 23.12 19.58 1xyg s ALA 264 CO 0.22 -1.61 1.36 -2.30 0.00 0.00 0.00 175.76 173.42 1xyg n PRO 265 N -3.37 1.24 0.00 0.00 -0.02 -1.26 -1.41 135.00 130.18 1xyg n PRO 265 Ca 0.09 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1xyg n PRO 265 Cb 0.53 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1xyg n PRO 265 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xyg n GLY 266 N 2.59 2.84 3.83 -1.23 0.00 -1.26 -5.02 105.19 106.93 1xyg n GLY 266 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1xyg n GLY 266 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xyg s VAL 267 N -2.53 4.51 0.27 1.61 1.01 -0.50 -5.08 120.40 119.69 1xyg s VAL 267 Ca 0.00 1.27 0.07 0.00 0.00 0.00 0.00 61.98 63.32 1xyg s VAL 267 Cb 0.00 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 1xyg s VAL 267 CO 0.00 -0.18 -0.07 -0.13 0.00 0.00 0.00 175.10 174.72 1xyg s ARG 268 N -2.91 1.54 0.41 2.72 0.52 -1.26 -4.83 118.95 115.14 1xyg s ARG 268 Ca 0.56 -1.77 0.12 0.00 -0.52 0.00 0.00 55.73 54.12 1xyg s ARG 268 Cb -0.11 -1.18 0.96 0.00 0.52 0.00 0.00 34.95 35.14 1xyg s ARG 268 CO 0.16 0.06 1.95 1.79 0.02 0.00 0.00 175.30 179.29 1xyg h THR 269 N 2.30 0.90 -0.82 0.02 1.35 -1.95 -0.35 112.91 114.36 1xyg h THR 269 Ca -0.40 -0.17 0.08 0.00 -0.55 0.00 0.00 66.41 65.37 1xyg h THR 269 Cb 1.23 0.35 -0.05 0.00 -1.73 0.00 0.00 68.15 67.95 1xyg h THR 269 CO 0.67 0.09 0.53 1.05 -0.25 0.00 0.00 175.52 177.61 1xyg h GLU 270 N 0.50 0.82 -0.46 4.72 9.09 -1.98 -1.01 114.58 126.26 1xyg h GLU 270 Ca 0.32 -0.05 -0.09 0.00 0.05 0.00 0.00 59.36 59.59 1xyg h GLU 270 Cb 0.56 -0.18 -0.02 0.00 -1.65 0.00 0.00 28.75 27.46 1xyg h GLU 270 CO -0.10 0.54 -0.07 -0.44 0.05 0.00 0.00 179.01 178.99 1xyg h ASP 271 N 0.84 0.86 -0.59 3.06 3.32 -1.46 -0.97 116.42 121.47 1xyg h ASP 271 Ca 0.37 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1xyg h ASP 271 Cb 0.32 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1xyg h ASP 271 CO -0.14 1.00 0.23 -0.07 -1.72 0.00 0.00 179.24 178.54 1xyg h LEU 272 N 0.70 0.82 -0.32 1.55 3.38 -1.23 -1.32 115.31 118.89 1xyg h LEU 272 Ca 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1xyg h LEU 272 Cb 0.60 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1xyg h LEU 272 CO 0.04 0.78 0.17 -0.74 0.09 0.00 0.00 178.44 178.78 1xyg h HIS 273 N 0.82 0.44 -0.61 1.13 2.76 -1.03 -1.68 115.15 116.98 1xyg h HIS 273 Ca 0.20 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 1xyg h HIS 273 Cb 0.22 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 1xyg h HIS 273 CO 0.01 0.36 0.26 0.37 -1.30 0.00 0.00 177.93 177.63 1xyg h GLN 274 N 0.39 0.90 -0.59 5.26 5.75 -0.98 0.11 115.11 125.96 1xyg h GLN 274 Ca 0.11 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1xyg h GLN 274 Cb 0.07 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1xyg h GLN 274 CO -0.02 0.75 0.36 0.37 -2.65 0.00 0.00 178.83 177.64 1xyg h GLN 275 N 0.85 0.80 -0.38 1.69 5.75 -1.05 0.35 115.11 123.11 1xyg h GLN 275 Ca 0.21 -0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 58.54 1xyg h GLN 275 Cb 0.17 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1xyg h GLN 275 CO -0.02 0.57 -0.14 -0.07 -2.65 0.00 0.00 178.83 176.52 1xyg h LEU 276 N 0.79 0.78 -0.94 -2.39 3.38 -1.00 0.15 115.31 116.08 1xyg h LEU 276 Ca 0.21 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1xyg h LEU 276 Cb -0.02 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1xyg h LEU 276 CO -0.04 0.99 0.49 0.50 0.09 0.00 0.00 178.44 180.47 1xyg h LYS 277 N 0.56 1.23 -0.12 1.13 3.64 -0.48 -2.00 116.57 120.55 1xyg h LYS 277 Ca 0.09 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1xyg h LYS 277 Cb 0.67 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1xyg h LYS 277 CO 0.05 0.90 -0.18 1.15 -2.27 0.00 0.00 179.45 179.10 1xyg h THR 278 N 1.24 1.37 0.00 1.00 2.02 -0.78 -0.96 112.91 116.81 1xyg h THR 278 Ca 0.31 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.07 1xyg h THR 278 Cb 0.02 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1xyg h THR 278 CO -0.05 0.41 -0.07 0.28 0.37 0.00 0.00 175.52 176.45 1xyg h SER 279 N -0.09 0.00 0.00 4.18 0.02 -0.76 -3.20 113.55 113.71 1xyg h SER 279 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1xyg h SER 279 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1xyg h SER 279 CO 0.04 0.07 -0.01 -1.22 -1.14 0.00 0.00 176.83 174.57 1xyg n TYR 280 N -4.10 0.00 -0.30 3.45 4.01 -0.77 -4.82 117.16 114.63 1xyg n TYR 280 Ca -0.03 -0.53 0.15 0.00 -0.16 0.00 0.00 57.90 57.33 1xyg n TYR 280 Cb 0.16 -0.06 0.40 0.00 -0.31 0.00 0.00 39.34 39.52 1xyg n TYR 280 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1xyg h GLU 281 N 0.00 0.62 -0.57 -0.72 4.11 -1.16 -1.33 114.58 115.53 1xyg h GLU 281 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1xyg h GLU 281 Cb 0.65 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1xyg h GLU 281 CO 0.00 0.41 0.00 -0.25 0.07 0.00 0.00 179.01 179.24 1xyg n ASP 282 N -4.61 4.25 -4.65 3.06 8.00 -1.26 -4.94 116.55 116.41 1xyg n ASP 282 Ca 0.20 -2.36 -0.40 0.00 0.71 0.00 0.00 54.79 52.94 1xyg n ASP 282 Cb 0.58 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 41.12 1xyg n ASP 282 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xyg s GLU 283 N -1.67 4.17 0.09 -1.24 0.41 -0.50 -4.97 118.70 114.98 1xyg s GLU 283 Ca 0.45 0.60 -0.22 0.00 -0.41 0.00 0.00 54.97 55.39 1xyg s GLU 283 Cb 0.28 -3.61 -0.13 0.00 -1.78 0.00 0.00 34.13 28.90 1xyg s GLU 283 CO 0.23 -0.31 1.71 1.49 -0.49 0.00 0.00 175.26 177.88 1xyg h GLU 284 N 7.64 0.10 -0.00 1.61 4.57 -1.92 -3.28 114.58 123.30 1xyg h GLU 284 Ca -0.29 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1xyg h GLU 284 Cb 1.13 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1xyg h GLU 284 CO 0.78 0.12 -0.22 1.19 -1.18 0.00 0.00 179.01 179.69 1xyg n PHE 285 N -5.01 0.00 -4.04 0.92 3.72 -1.26 -4.73 117.46 107.05 1xyg n PHE 285 Ca -0.06 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.02 1xyg n PHE 285 Cb 0.05 -0.22 -0.15 0.00 -0.94 0.00 0.00 39.48 38.23 1xyg n PHE 285 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1xyg s VAL 286 N -2.66 2.31 -0.17 -4.37 1.01 -1.24 -0.16 120.40 115.13 1xyg s VAL 286 Ca 0.22 -1.53 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 1xyg s VAL 286 Cb 0.19 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1xyg s VAL 286 CO 0.54 0.01 -0.01 -0.54 0.00 0.00 0.00 175.10 175.10 1xyg s LYS 287 N 1.15 3.73 -0.31 2.72 -0.14 0.45 -4.70 119.74 122.63 1xyg s LYS 287 Ca -0.07 -0.48 -0.11 0.00 -1.36 0.00 0.00 55.97 53.94 1xyg s LYS 287 Cb -0.19 -3.02 -0.02 0.00 -1.68 0.00 0.00 37.83 32.91 1xyg s LYS 287 CO -0.05 0.19 0.20 0.08 -0.76 0.00 0.00 175.35 175.01 1xyg s VAL 288 N 0.53 5.11 0.68 3.17 1.01 -1.26 -1.29 120.40 128.36 1xyg s VAL 288 Ca -0.01 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 1xyg s VAL 288 Cb -0.14 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 1xyg s VAL 288 CO 0.02 0.09 1.06 -0.76 0.00 0.00 0.00 175.10 175.51 1xyg s LEU 289 N 1.71 3.04 0.64 3.92 1.43 -0.20 -4.97 118.68 124.24 1xyg s LEU 289 Ca 0.06 1.36 -0.17 0.00 -1.03 0.00 0.00 54.13 54.35 1xyg s LEU 289 Cb -0.17 -4.25 -0.01 0.00 0.03 0.00 0.00 46.19 41.80 1xyg s LEU 289 CO 0.09 -1.25 1.19 -1.81 0.23 0.00 0.00 176.35 174.80 1xyg s ASP 290 N -4.12 4.91 0.28 2.29 1.01 -1.26 -4.78 116.67 114.99 1xyg s ASP 290 Ca 0.57 2.31 -0.30 0.00 0.71 0.00 0.00 52.55 55.84 1xyg s ASP 290 Cb -0.12 -2.59 -0.13 0.00 1.01 0.00 0.00 42.92 41.09 1xyg s ASP 290 CO 0.54 -1.78 1.30 -0.62 0.21 0.00 0.00 175.17 174.82 1xyg n GLU 291 N -2.04 1.94 0.00 8.23 1.02 -1.26 -1.74 120.64 126.79 1xyg n GLU 291 Ca 0.13 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.96 1xyg n GLU 291 Cb 0.50 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 1xyg n GLU 291 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xyg n GLY 292 N 1.51 2.95 3.68 0.62 0.00 -1.26 -5.01 105.19 107.68 1xyg n GLY 292 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1xyg n GLY 292 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xyg s VAL 293 N -1.93 4.80 -0.24 1.61 1.01 -0.71 -5.02 120.40 119.92 1xyg s VAL 293 Ca 0.00 1.94 -0.20 0.00 0.00 0.00 0.00 61.98 63.72 1xyg s VAL 293 Cb 0.00 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 1xyg s VAL 293 CO 0.00 -0.00 0.62 -0.69 0.00 0.00 0.00 175.10 175.03 1xyg s VAL 294 N 2.11 5.00 0.67 2.92 1.01 -1.26 -4.78 120.40 126.08 1xyg s VAL 294 Ca 0.46 1.13 -0.12 0.00 0.00 0.00 0.00 61.98 63.44 1xyg s VAL 294 Cb -0.18 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1xyg s VAL 294 CO 0.16 0.05 1.06 -2.16 0.00 0.00 0.00 175.10 174.21 1xyg s PRO 295 N 2.36 2.96 -0.04 2.72 0.04 -1.26 -5.07 135.00 136.71 1xyg s PRO 295 Ca 0.26 1.06 0.02 0.00 0.04 0.00 0.00 61.00 62.39 1xyg s PRO 295 Cb -0.16 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1xyg s PRO 295 CO 0.09 -1.09 -0.10 1.03 0.04 0.00 0.00 177.00 176.97 1xyg s ARG 296 N -4.73 1.14 0.55 4.56 0.52 -1.26 -5.01 118.95 114.72 1xyg s ARG 296 Ca 0.60 -0.33 0.24 0.00 -0.52 0.00 0.00 55.73 55.72 1xyg s ARG 296 Cb -0.15 -1.03 1.54 0.00 0.52 0.00 0.00 34.95 35.82 1xyg s ARG 296 CO 0.50 0.09 2.18 1.79 0.02 0.00 0.00 175.30 179.88 1xyg h THR 297 N 5.54 0.74 -0.54 0.02 1.35 -1.93 -0.48 112.91 117.60 1xyg h THR 297 Ca -0.33 -0.11 0.07 0.00 -0.55 0.00 0.00 66.41 65.49 1xyg h THR 297 Cb 1.17 1.07 -0.03 0.00 -1.73 0.00 0.00 68.15 68.63 1xyg h THR 297 CO 0.48 0.03 0.36 0.45 -0.25 0.00 0.00 175.52 176.60 1xyg h HIS 298 N 0.00 0.45 0.00 4.73 3.86 -1.95 -2.55 115.15 119.70 1xyg h HIS 298 Ca -0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1xyg h HIS 298 Cb 0.06 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1xyg h HIS 298 CO 0.00 0.23 0.00 0.09 0.86 0.00 0.00 177.93 179.11 1xyg n ASN 299 N -4.47 0.41 -0.05 2.45 3.02 -0.19 -3.22 115.26 113.21 1xyg n ASN 299 Ca 0.08 0.57 0.01 0.00 -0.03 0.00 0.00 54.58 55.21 1xyg n ASN 299 Cb 0.29 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1xyg n ASN 299 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1xyg n VAL 300 N -1.93 0.00 -1.69 2.41 0.24 -0.99 -4.72 118.33 111.66 1xyg n VAL 300 Ca 0.04 -0.50 -0.54 0.00 -2.04 0.00 0.00 64.34 61.30 1xyg n VAL 300 Cb 0.28 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.61 1xyg n VAL 300 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1xyg n ARG 301 N -0.07 1.44 -1.01 7.34 0.63 -1.01 -1.17 116.66 122.82 1xyg n ARG 301 Ca 0.01 0.53 -0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1xyg n ARG 301 Cb 0.03 -2.25 -0.00 0.00 0.45 0.00 0.00 32.46 30.69 1xyg n ARG 301 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xyg n GLY 302 N 3.97 0.46 3.41 5.14 0.00 -1.26 -0.65 105.19 116.26 1xyg n GLY 302 Ca 0.24 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 1xyg n GLY 302 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xyg s SER 303 N -2.53 2.02 -0.14 1.61 1.04 -0.31 -4.65 113.70 110.73 1xyg s SER 303 Ca 0.00 -1.55 0.16 0.00 0.48 0.00 0.00 55.95 55.04 1xyg s SER 303 Cb 0.00 0.33 0.71 0.00 0.10 0.00 0.00 66.02 67.16 1xyg s SER 303 CO 0.00 -0.85 1.61 -3.20 0.98 0.00 0.00 173.24 171.79 1xyg n ASN 304 N -0.98 4.80 -4.87 7.02 5.15 -1.26 -4.13 115.26 120.99 1xyg n ASN 304 Ca -0.02 -2.54 -0.31 0.00 -0.60 0.00 0.00 54.58 51.11 1xyg n ASN 304 Cb 0.65 -0.60 -0.05 0.00 -0.53 0.00 0.00 39.78 39.26 1xyg n ASN 304 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1xyg s TYR 305 N -2.05 3.42 -0.10 1.20 2.02 -1.26 -4.55 117.35 116.03 1xyg s TYR 305 Ca 0.49 1.01 0.02 0.00 -0.37 0.00 0.00 57.07 58.22 1xyg s TYR 305 Cb 0.33 -2.39 0.02 0.00 -0.40 0.00 0.00 41.96 39.52 1xyg s TYR 305 CO 0.21 0.10 -0.14 0.00 -1.57 0.00 0.00 175.55 174.16 1xyg s HIS 307 N 0.99 2.78 0.05 0.00 3.76 -0.87 -0.41 115.29 121.59 1xyg s HIS 307 Ca -0.07 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 54.54 1xyg s HIS 307 Cb -0.15 -1.72 -0.03 0.00 1.11 0.00 0.00 32.58 31.79 1xyg s HIS 307 CO -0.01 0.06 -0.06 0.00 -0.85 0.00 0.00 174.74 173.88 1xyg s MET 308 N -0.33 0.57 0.02 1.40 0.23 -0.41 -1.08 119.30 119.70 1xyg s MET 308 Ca 0.03 -0.93 -0.13 0.00 -1.03 0.00 0.00 55.69 53.64 1xyg s MET 308 Cb -0.13 -0.13 0.02 0.00 -1.53 0.00 0.00 34.83 33.06 1xyg s MET 308 CO 0.02 -0.01 0.27 0.45 -2.03 0.00 0.00 175.02 173.73 1xyg s SER 309 N -2.08 -0.11 -0.02 -1.18 0.15 -0.46 -1.03 113.70 108.98 1xyg s SER 309 Ca -0.04 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.54 1xyg s SER 309 Cb -0.04 0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 1xyg s SER 309 CO -0.02 -0.53 -0.19 -0.69 1.20 0.00 0.00 173.24 173.01 1xyg s VAL 310 N -2.03 2.67 0.04 4.45 1.01 -1.26 -1.55 120.40 123.72 1xyg s VAL 310 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1xyg s VAL 310 Cb -0.03 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1xyg s VAL 310 CO -0.00 0.53 -0.04 -0.36 0.00 0.00 0.00 175.10 175.23 1xyg s PHE 311 N -0.73 0.44 0.39 5.22 0.40 0.11 -4.00 117.98 119.80 1xyg s PHE 311 Ca 0.12 -0.68 -0.24 0.00 -0.60 0.00 0.00 56.93 55.53 1xyg s PHE 311 Cb -0.10 -0.30 -0.10 0.00 0.51 0.00 0.00 43.02 43.03 1xyg s PHE 311 CO 0.01 -0.21 0.98 -1.25 0.70 0.00 0.00 175.22 175.45 1xyg s PRO 312 N -2.24 4.30 0.26 0.24 0.04 -1.26 0.53 135.00 136.88 1xyg s PRO 312 Ca -0.08 1.32 -0.07 0.00 0.04 0.00 0.00 61.00 62.21 1xyg s PRO 312 Cb -0.05 -2.49 -0.06 0.00 0.04 0.00 0.00 34.50 31.95 1xyg s PRO 312 CO -0.03 0.02 0.55 0.34 0.04 0.00 0.00 177.00 177.91 1xyg s ASP 313 N -1.80 6.51 0.38 6.66 -1.08 -0.66 -4.63 116.67 122.06 1xyg s ASP 313 Ca 0.57 0.79 0.09 0.00 -0.52 0.00 0.00 52.55 53.49 1xyg s ASP 313 Cb -0.16 -2.18 0.78 0.00 -1.46 0.00 0.00 42.92 39.90 1xyg s ASP 313 CO 0.21 -0.14 1.92 -0.09 0.52 0.00 0.00 175.17 177.59 1xyg h ARG 314 N 2.05 0.27 -6.23 4.34 2.43 -1.96 -3.40 114.38 111.88 1xyg h ARG 314 Ca -0.47 -0.06 -0.57 0.00 -0.81 0.00 0.00 59.98 58.07 1xyg h ARG 314 Cb 1.18 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 1xyg h ARG 314 CO 0.68 0.39 0.94 0.42 -1.51 0.00 0.00 179.97 180.88 1xyg s ILE 315 N -4.78 4.21 0.22 1.20 1.01 -1.26 -4.96 121.20 116.84 1xyg s ILE 315 Ca -0.06 1.42 -0.32 0.00 0.00 0.00 0.00 60.65 61.70 1xyg s ILE 315 Cb 0.15 -4.05 -0.14 0.00 0.01 0.00 0.00 42.46 38.43 1xyg s ILE 315 CO 0.73 -0.28 1.32 -2.65 0.00 0.00 0.00 174.94 174.07 1xyg n PRO 316 N 6.93 1.74 0.00 2.79 -0.02 -1.26 -1.76 135.00 143.42 1xyg n PRO 316 Ca 0.14 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1xyg n PRO 316 Cb 0.46 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1xyg n PRO 316 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xyg n GLY 317 N 2.09 1.65 3.82 -1.23 0.00 -1.26 -5.04 105.19 105.22 1xyg n GLY 317 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1xyg n GLY 317 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xyg s ARG 318 N -0.65 2.96 0.10 1.61 0.52 -0.72 0.01 118.95 122.77 1xyg s ARG 318 Ca 0.00 -0.91 0.01 0.00 -0.52 0.00 0.00 55.73 54.32 1xyg s ARG 318 Cb 0.00 -2.65 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 1xyg s ARG 318 CO 0.00 0.46 -0.06 0.00 0.02 0.00 0.00 175.30 175.72 1xyg s ALA 319 N -1.88 0.94 -0.09 2.13 0.00 -0.02 -1.65 121.76 121.19 1xyg s ALA 319 Ca 0.32 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1xyg s ALA 319 Cb -0.09 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1xyg s ALA 319 CO 0.24 -0.25 -0.19 0.42 0.00 0.00 0.00 175.76 175.98 1xyg s ILE 320 N -3.66 1.69 -0.12 0.00 1.01 0.19 -1.91 121.20 118.39 1xyg s ILE 320 Ca 0.12 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1xyg s ILE 320 Cb 0.06 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 41.04 1xyg s ILE 320 CO -0.05 0.48 -0.22 -0.63 0.00 0.00 0.00 174.94 174.52 1xyg s ILE 321 N 0.52 2.16 -0.14 2.92 1.01 0.25 0.04 121.20 127.97 1xyg s ILE 321 Ca -0.16 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.51 1xyg s ILE 321 Cb -0.17 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.43 1xyg s ILE 321 CO 0.06 0.55 -0.09 -0.63 0.00 0.00 0.00 174.94 174.83 1xyg s ILE 322 N 0.55 3.42 -0.06 2.92 1.01 -0.59 0.47 121.20 128.91 1xyg s ILE 322 Ca -0.13 -0.53 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 1xyg s ILE 322 Cb -0.17 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 39.86 1xyg s ILE 322 CO 0.04 0.51 -0.02 -0.55 0.00 0.00 0.00 174.94 174.93 1xyg s SER 323 N 0.34 1.37 0.12 3.58 0.15 -0.76 -1.35 113.70 117.16 1xyg s SER 323 Ca -0.08 -0.10 0.07 0.00 0.70 0.00 0.00 55.95 56.54 1xyg s SER 323 Cb -0.15 -0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 63.67 1xyg s SER 323 CO 0.05 -0.15 -0.17 0.68 1.20 0.00 0.00 173.24 174.85 1xyg s VAL 324 N 1.61 1.51 0.32 4.45 -7.23 -0.24 -1.28 120.40 119.53 1xyg s VAL 324 Ca -0.00 -1.68 -0.15 0.00 -1.81 0.00 0.00 61.98 58.34 1xyg s VAL 324 Cb -0.13 -1.56 0.02 0.00 0.56 0.00 0.00 36.38 35.28 1xyg s VAL 324 CO -0.04 -0.29 0.66 0.27 -0.31 0.00 0.00 175.10 175.39 1xyg s ILE 325 N -1.80 0.00 -0.36 -0.62 -4.36 -0.67 -2.05 121.20 111.34 1xyg s ILE 325 Ca 0.09 -1.18 -0.18 0.00 -0.26 0.00 0.00 60.65 59.12 1xyg s ILE 325 Cb -0.07 -2.44 -0.00 0.00 1.25 0.00 0.00 42.46 41.20 1xyg s ILE 325 CO 0.04 0.00 0.51 -0.62 0.24 0.00 0.00 174.94 175.11 1xyg s ASP 326 N -3.04 6.30 0.55 4.36 -1.08 -1.26 -1.02 116.67 121.48 1xyg s ASP 326 Ca 0.18 -0.11 0.27 0.00 -0.52 0.00 0.00 52.55 52.37 1xyg s ASP 326 Cb -0.04 -2.26 1.45 0.00 -1.46 0.00 0.00 42.92 40.61 1xyg s ASP 326 CO 0.11 -0.50 1.99 -0.55 0.52 0.00 0.00 175.17 176.74 1xyg h ASN 327 N 8.51 0.00 1.51 -0.34 -1.07 -1.91 -1.39 115.58 120.88 1xyg h ASN 327 Ca -0.28 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.07 1xyg h ASN 327 Cb 1.12 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.37 1xyg h ASN 327 CO 0.78 0.00 -0.50 -0.07 0.07 0.00 0.00 177.43 177.71 1xyg h LEU 328 N 0.00 0.00 0.00 6.14 3.38 -1.92 -3.04 115.31 119.87 1xyg h LEU 328 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1xyg h LEU 328 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1xyg h LEU 328 CO -0.00 0.08 0.00 0.52 0.09 0.00 0.00 178.44 179.13 1xyg n VAL 329 N -2.94 0.00 0.30 1.22 0.31 -0.56 -2.14 118.33 114.52 1xyg n VAL 329 Ca 0.02 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.53 1xyg n VAL 329 Cb 0.57 -0.69 0.89 0.00 -0.91 0.00 0.00 33.84 33.70 1xyg n VAL 329 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1xyg h LYS 330 N 0.00 0.00 -0.00 5.55 1.63 -1.68 0.66 116.57 122.73 1xyg h LYS 330 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xyg h LYS 330 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1xyg h LYS 330 CO 0.00 0.00 -0.24 0.41 -3.45 0.00 0.00 179.45 176.17 1xyg n GLY 331 N -0.53 -1.06 0.00 5.01 0.00 -1.02 -4.36 105.19 103.25 1xyg n GLY 331 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1xyg n GLY 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyg n ALA 332 N -1.14 0.00 0.09 4.61 0.00 0.12 -2.77 120.51 121.42 1xyg n ALA 332 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.63 1xyg n ALA 332 Cb 0.32 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.33 1xyg n ALA 332 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xyg h SER 333 N 0.00 0.20 -0.23 0.00 0.02 -1.38 -1.31 113.55 110.84 1xyg h SER 333 Ca 0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1xyg h SER 333 Cb 0.00 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1xyg h SER 333 CO 0.00 0.14 -0.00 1.23 -1.14 0.00 0.00 176.83 177.06 1xyg h GLY 334 N 0.24 0.45 1.51 -3.77 0.00 0.10 -1.84 103.07 99.76 1xyg h GLY 334 Ca 0.12 -0.33 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 1xyg h GLY 334 CO -0.02 0.30 -0.26 -1.61 0.00 0.00 0.00 176.54 174.95 1xyg h GLN 335 N 0.19 0.56 -0.39 4.80 4.15 -0.97 -0.88 115.11 122.56 1xyg h GLN 335 Ca 0.07 -0.22 0.03 0.00 0.77 0.00 0.00 58.65 59.29 1xyg h GLN 335 Cb 0.41 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 1xyg h GLN 335 CO 0.01 0.77 0.20 0.00 -1.93 0.00 0.00 178.83 177.89 1xyg h ALA 336 N 1.23 0.48 -0.42 3.38 0.00 -1.09 0.44 119.26 123.28 1xyg h ALA 336 Ca 0.07 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1xyg h ALA 336 Cb 0.71 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1xyg h ALA 336 CO 0.05 -0.16 -0.21 1.25 0.00 0.00 0.00 179.25 180.19 1xyg h LEU 337 N 0.41 0.85 -0.94 0.00 5.85 -1.11 -1.43 115.31 118.93 1xyg h LEU 337 Ca 0.16 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1xyg h LEU 337 Cb 0.06 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 1xyg h LEU 337 CO -0.11 1.04 0.60 -0.61 -0.34 0.00 0.00 178.44 179.02 1xyg h GLN 338 N 0.73 1.06 -0.17 1.25 4.15 -0.36 0.18 115.11 121.96 1xyg h GLN 338 Ca 0.10 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.36 1xyg h GLN 338 Cb 0.73 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 1xyg h GLN 338 CO 0.06 0.70 -0.28 -0.91 -1.93 0.00 0.00 178.83 176.46 1xyg h ASN 339 N 1.09 0.54 -0.34 -0.69 2.35 -0.61 -3.20 115.58 114.71 1xyg h ASN 339 Ca 0.41 -0.54 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 1xyg h ASN 339 Cb 0.17 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1xyg h ASN 339 CO -0.17 0.97 0.09 0.25 -1.65 0.00 0.00 177.43 176.91 1xyg h LEU 340 N 0.12 0.58 0.20 1.61 5.85 -0.79 -1.65 115.31 121.24 1xyg h LEU 340 Ca 0.01 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1xyg h LEU 340 Cb 0.86 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1xyg h LEU 340 CO 0.06 0.60 -0.44 0.78 -0.34 0.00 0.00 178.44 179.10 1xyg h ASN 341 N 0.61 -1.27 0.53 1.25 2.35 -0.97 -1.39 115.58 116.70 1xyg h ASN 341 Ca 0.14 0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.95 1xyg h ASN 341 Cb 0.26 0.46 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1xyg h ASN 341 CO -0.00 -0.52 -0.34 0.16 -1.65 0.00 0.00 177.43 175.07 1xyg h ILE 342 N -0.72 1.03 -0.08 2.81 3.07 -1.57 0.84 117.51 122.90 1xyg h ILE 342 Ca 0.00 -1.27 -0.06 0.00 1.55 0.00 0.00 64.86 65.08 1xyg h ILE 342 Cb 0.72 1.73 -0.01 0.00 -0.27 0.00 0.00 36.82 38.98 1xyg h ILE 342 CO -0.20 0.34 -0.25 0.24 -1.05 0.00 0.00 178.15 177.22 1xyg h MET 343 N 0.00 0.13 -0.37 0.16 2.86 -0.81 -2.31 114.93 114.60 1xyg h MET 343 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1xyg h MET 343 Cb 0.70 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1xyg h MET 343 CO 0.04 0.38 0.00 1.28 1.06 0.00 0.00 176.91 179.68 1xyg n LEU 344 N -4.19 2.98 0.00 1.22 4.77 -0.57 -4.91 117.00 116.30 1xyg n LEU 344 Ca -0.01 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 1xyg n LEU 344 Cb 0.34 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1xyg n LEU 344 CO 0.39 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1xyg n GLY 345 N 1.41 0.50 3.97 -0.72 0.00 -0.87 -5.05 105.19 104.43 1xyg n GLY 345 Ca 0.19 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 1xyg n GLY 345 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyg s TYR 346 N -2.00 3.29 0.28 1.61 1.51 0.25 -4.98 117.35 117.32 1xyg s TYR 346 Ca 0.00 -0.01 -0.30 0.00 -1.01 0.00 0.00 57.07 55.75 1xyg s TYR 346 Cb 0.00 -1.89 -0.12 0.00 -0.11 0.00 0.00 41.96 39.83 1xyg s TYR 346 CO 0.00 0.10 1.48 -2.30 -1.11 0.00 0.00 175.55 173.72 1xyg n PRO 347 N -1.65 2.39 -0.35 -1.71 -0.02 -1.26 -3.67 135.00 128.72 1xyg n PRO 347 Ca -0.03 0.85 0.09 0.00 -2.02 0.00 0.00 63.50 62.39 1xyg n PRO 347 Cb 0.57 -2.56 0.28 0.00 -0.02 0.00 0.00 33.50 31.78 1xyg n PRO 347 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xyg h GLU 348 N 4.20 0.87 -0.01 -0.52 4.81 -1.89 -2.03 114.58 120.01 1xyg h GLU 348 Ca -0.46 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1xyg h GLU 348 Cb 1.25 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1xyg h GLU 348 CO 0.75 0.58 0.00 0.25 -0.73 0.00 0.00 179.01 179.86 1xyg n THR 349 N -4.65 0.01 -1.68 0.32 -2.24 -1.26 -4.68 114.28 100.11 1xyg n THR 349 Ca 0.20 -0.10 -0.50 0.00 -2.27 0.00 0.00 64.05 61.39 1xyg n THR 349 Cb 0.43 -0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.48 1xyg n THR 349 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xyg n THR 350 N -0.55 0.37 -1.70 4.28 -1.04 -0.76 -1.17 114.28 113.71 1xyg n THR 350 Ca 0.21 -0.07 -0.17 0.00 -2.04 0.00 0.00 64.05 61.98 1xyg n THR 350 Cb 0.19 -1.61 -0.06 0.00 -1.82 0.00 0.00 70.33 67.04 1xyg n THR 350 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xyg n GLY 351 N 4.02 1.23 0.33 3.41 0.00 -1.26 -4.86 105.19 108.06 1xyg n GLY 351 Ca 0.22 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1xyg n GLY 351 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xyg n LEU 352 N -2.10 1.30 -1.67 0.99 4.77 -0.32 -4.80 117.00 115.17 1xyg n LEU 352 Ca -0.18 -2.18 0.06 0.00 -0.03 0.00 0.00 56.01 53.68 1xyg n LEU 352 Cb 0.59 -0.23 0.35 0.00 -2.33 0.00 0.00 43.42 41.80 1xyg n LEU 352 CO 0.26 0.53 0.79 0.18 -1.33 0.00 0.00 177.39 177.82 1xyg n LEU 353 N -0.74 4.97 -4.70 2.23 4.77 -1.25 -4.62 117.00 117.66 1xyg n LEU 353 Ca 0.09 -2.52 -0.44 0.00 -0.03 0.00 0.00 56.01 53.11 1xyg n LEU 353 Cb 0.69 -0.64 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1xyg n LEU 353 CO 0.00 0.60 1.24 1.41 -1.33 0.00 0.00 177.39 179.32 1xyg n HIS 354 N 0.62 2.53 -3.14 -1.77 8.25 -1.26 -4.96 115.22 115.48 1xyg n HIS 354 Ca 0.24 0.20 -0.32 0.00 -0.26 0.00 0.00 57.72 57.58 1xyg n HIS 354 Cb 1.03 -2.59 -0.05 0.00 1.12 0.00 0.00 29.99 29.49 1xyg n HIS 354 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1xyg s GLN 355 N 0.62 3.91 0.26 -0.41 -1.52 -1.26 -4.50 119.66 116.75 1xyg s GLN 355 Ca 0.74 0.53 -0.29 0.00 -1.95 0.00 0.00 55.36 54.39 1xyg s GLN 355 Cb -0.58 -2.47 -0.14 0.00 -0.22 0.00 0.00 33.01 29.59 1xyg s GLN 355 CO 0.39 0.15 1.04 -2.30 -0.25 0.00 0.00 175.29 174.32 1xyg n PRO 356 N -0.52 1.29 -3.03 2.91 -0.02 -1.26 -4.72 135.00 129.65 1xyg n PRO 356 Ca 0.03 0.46 -0.44 0.00 -2.02 0.00 0.00 63.50 61.52 1xyg n PRO 356 Cb 0.53 -1.85 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 1xyg n PRO 356 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1xyg s LEU 357 N 0.57 5.43 -0.04 2.45 2.96 0.18 -4.97 118.68 125.25 1xyg s LEU 357 Ca 0.62 -2.46 0.03 0.00 -0.22 0.00 0.00 54.13 52.10 1xyg s LEU 357 Cb -0.74 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 43.60 1xyg s LEU 357 CO 0.58 -0.86 -0.10 0.12 -1.32 0.00 0.00 176.35 174.76 1xyg s PHE 358 N 1.76 1.12 -2.00 5.38 2.19 -1.26 -4.88 117.98 120.29 1xyg s PHE 358 Ca 0.32 -0.31 0.25 0.00 0.33 0.00 0.00 56.93 57.52 1xyg s PHE 358 Cb -0.06 -0.80 1.48 0.00 -1.31 0.00 0.00 43.02 42.33 1xyg s PHE 358 CO -0.07 -0.14 1.84 -0.35 1.83 0.00 0.00 175.22 178.33