#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyg n ASP 16 N 0.00 -0.26 -4.70 3.14 5.68 -1.25 -4.54 116.55 114.63 1xyg n ASP 16 Ca 0.00 0.94 -0.35 0.00 -0.50 0.00 0.00 54.79 54.88 1xyg n ASP 16 Cb 0.00 -0.26 -0.09 0.00 -1.14 0.00 0.00 41.12 39.64 1xyg n ASP 16 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1xyg s ILE 17 N -5.62 5.24 -0.22 2.12 -1.09 0.48 -5.03 121.20 117.07 1xyg s ILE 17 Ca -0.08 0.13 -0.15 0.00 -2.23 0.00 0.00 60.65 58.31 1xyg s ILE 17 Cb 0.13 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 1xyg s ILE 17 CO 0.41 0.44 0.39 -0.13 -1.23 0.00 0.00 174.94 174.81 1xyg s ARG 18 N 0.43 4.13 -0.09 2.79 0.52 -1.26 -0.18 118.95 125.30 1xyg s ARG 18 Ca 0.07 0.15 -0.00 0.00 -0.52 0.00 0.00 55.73 55.42 1xyg s ARG 18 Cb -0.12 -3.57 -0.03 0.00 0.52 0.00 0.00 34.95 31.76 1xyg s ARG 18 CO -0.01 -0.09 -0.05 0.42 0.02 0.00 0.00 175.30 175.58 1xyg s ILE 19 N 1.49 3.82 -0.10 1.52 -1.09 0.18 -0.70 121.20 126.32 1xyg s ILE 19 Ca 0.18 -0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 58.17 1xyg s ILE 19 Cb -0.15 -2.59 -0.02 0.00 -1.58 0.00 0.00 42.46 38.12 1xyg s ILE 19 CO 0.08 0.58 -0.09 -0.83 -1.23 0.00 0.00 174.94 173.46 1xyg s GLY 20 N -0.62 1.64 -0.25 6.18 0.00 -0.39 -1.13 107.32 112.75 1xyg s GLY 20 Ca 0.09 -0.88 0.02 0.00 0.00 0.00 0.00 44.72 43.95 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 -0.19 3.23 -0.42 0.66 2.96 0.83 -0.95 118.68 124.80 1xyg s LEU 21 Ca 0.02 -1.21 -0.20 0.00 -0.22 0.00 0.00 54.13 52.52 1xyg s LEU 21 Cb -0.13 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 45.02 1xyg s LEU 21 CO 0.03 -0.16 0.59 -0.76 -1.32 0.00 0.00 176.35 174.73 1xyg s LEU 22 N 1.17 4.56 0.00 -0.68 1.02 -0.20 0.42 118.68 124.96 1xyg s LEU 22 Ca -0.05 -0.37 0.00 0.00 0.02 0.00 0.00 54.13 53.72 1xyg s LEU 22 Cb -0.18 -2.64 0.00 0.00 0.02 0.00 0.00 46.19 43.38 1xyg s LEU 22 CO -0.06 -0.71 0.00 0.61 0.02 0.00 0.00 176.35 176.21 1xyg n GLY 23 N 5.02 0.36 0.24 -3.19 0.00 -0.64 -0.03 105.19 106.95 1xyg n GLY 23 Ca -0.03 -0.51 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 3.44 1.60 4.61 0.00 0.99 -4.30 120.51 126.39 1xyg n ALA 24 Ca 0.00 -0.47 0.15 0.00 0.00 0.00 0.00 53.44 53.12 1xyg n ALA 24 Cb 0.22 -1.01 0.76 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.72 0.21 -4.96 0.00 3.41 -1.26 -4.06 113.62 106.23 1xyg n SER 25 Ca 0.10 -0.59 -0.20 0.00 -0.26 0.00 0.00 58.87 57.92 1xyg n SER 25 Cb 0.37 -0.13 0.06 0.00 -0.26 0.00 0.00 64.21 64.26 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 -2.35 1.77 0.24 5.00 0.00 -1.26 -4.95 107.32 105.77 1xyg s GLY 26 Ca 0.35 -1.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.05 1xyg s GLY 26 CO 0.43 -1.54 1.75 -0.97 0.00 0.00 0.00 173.10 172.78 1xyg h TYR 27 N 0.11 1.00 -0.12 1.90 0.05 -1.94 -1.11 116.97 116.86 1xyg h TYR 27 Ca -0.33 -0.12 -0.08 0.00 0.05 0.00 0.00 58.73 58.24 1xyg h TYR 27 Cb 1.28 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.73 1xyg h TYR 27 CO 0.31 0.85 -0.30 1.79 -1.05 0.00 0.00 178.16 179.76 1xyg h THR 28 N 0.90 1.26 -0.22 -2.88 1.35 -1.94 -0.29 112.91 111.10 1xyg h THR 28 Ca 0.19 -1.24 -0.06 0.00 -0.55 0.00 0.00 66.41 64.74 1xyg h THR 28 Cb 0.39 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 1xyg h THR 28 CO 0.01 0.37 -0.10 1.23 -0.25 0.00 0.00 175.52 176.78 1xyg h GLY 29 N 1.05 0.49 0.98 5.82 0.00 -1.65 -1.61 103.07 108.15 1xyg h GLY 29 Ca 0.03 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 46.93 1xyg h GLY 29 CO 0.05 0.40 0.64 0.00 0.00 0.00 0.00 176.54 177.63 1xyg h ALA 30 N 0.71 1.24 -0.73 3.60 0.00 -0.87 -1.72 119.26 121.49 1xyg h ALA 30 Ca 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xyg h ALA 30 Cb 0.60 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1xyg h ALA 30 CO 0.03 0.60 0.35 0.93 0.00 0.00 0.00 179.25 181.16 1xyg h GLU 31 N 1.30 1.06 -0.07 0.00 4.39 -0.86 0.63 114.58 121.02 1xyg h GLU 31 Ca 0.36 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.91 1xyg h GLU 31 Cb -0.12 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.33 1xyg h GLU 31 CO -0.09 0.83 0.03 0.82 -1.16 0.00 0.00 179.01 179.44 1xyg h ILE 32 N 1.03 0.99 -0.79 3.13 1.08 -0.65 0.58 117.51 122.87 1xyg h ILE 32 Ca 0.25 -0.02 0.01 0.00 -0.39 0.00 0.00 64.86 64.71 1xyg h ILE 32 Cb 0.13 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 34.75 1xyg h ILE 32 CO -0.03 0.01 0.52 0.58 -0.69 0.00 0.00 178.15 178.54 1xyg h VAL 33 N 0.07 1.18 -0.09 1.67 2.07 -0.95 -0.55 116.25 119.64 1xyg h VAL 33 Ca 0.03 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1xyg h VAL 33 Cb 0.01 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1xyg h VAL 33 CO -0.03 0.19 0.04 -0.09 0.02 0.00 0.00 177.57 177.71 1xyg h ARG 34 N 1.05 0.13 -0.76 1.57 2.43 -0.43 -2.18 114.38 116.20 1xyg h ARG 34 Ca 0.30 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 1xyg h ARG 34 Cb -0.08 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1xyg h ARG 34 CO -0.08 0.21 0.36 -0.07 -1.51 0.00 0.00 179.97 178.88 1xyg h LEU 35 N 0.03 1.00 -1.07 3.80 3.38 -0.57 -2.80 115.31 119.07 1xyg h LEU 35 Ca 0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1xyg h LEU 35 Cb 0.12 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1xyg h LEU 35 CO -0.00 0.86 -0.11 -0.07 0.09 0.00 0.00 178.44 179.21 1xyg h LEU 36 N 1.07 0.00 -0.83 1.67 3.38 -1.03 -3.31 115.31 116.26 1xyg h LEU 36 Ca 0.26 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.44 1xyg h LEU 36 Cb 0.13 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.74 1xyg h LEU 36 CO -0.03 0.11 0.14 0.00 0.09 0.00 0.00 178.44 178.74 1xyg h ALA 37 N 1.89 1.06 -0.30 1.53 0.00 -1.11 -0.63 119.26 121.70 1xyg h ALA 37 Ca -0.00 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1xyg h ALA 37 Cb 0.70 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1xyg h ALA 37 CO 0.01 -0.44 0.00 0.09 0.00 0.00 0.00 179.25 178.92 1xyg n ASN 38 N -5.27 4.04 -4.68 0.00 3.02 -1.24 -4.95 115.26 106.17 1xyg n ASN 38 Ca 0.18 -3.05 -0.43 0.00 -0.03 0.00 0.00 54.58 51.26 1xyg n ASN 38 Cb 0.59 -0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 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 -2.85 3.31 0.50 3.10 2.46 -0.25 -4.81 115.29 116.76 1xyg s HIS 39 Ca 0.44 1.40 0.36 0.00 0.47 0.00 0.00 55.06 57.73 1xyg s HIS 39 Cb 0.35 -3.30 1.91 0.00 -0.13 0.00 0.00 32.58 31.41 1xyg s HIS 39 CO 0.09 -0.74 2.22 -1.00 -2.47 0.00 0.00 174.74 172.84 1xyg h PRO 40 N 7.39 0.00 0.00 2.88 0.13 -1.92 -3.34 132.00 137.14 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 0.90 0.03 -0.98 0.72 -0.23 0.00 0.00 178.00 178.44 1xyg n HIS 41 N -3.37 0.00 -3.75 1.56 8.25 -1.26 -4.82 115.22 111.83 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 31.20 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 -1.96 3.59 -0.03 4.41 0.08 -1.26 -0.39 117.98 122.43 1xyg s PHE 42 Ca 0.00 0.61 0.01 0.00 0.12 0.00 0.00 56.93 57.67 1xyg s PHE 42 Cb 0.00 -2.08 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 1xyg s PHE 42 CO 0.00 0.61 -0.03 -1.14 -0.10 0.00 0.00 175.22 174.56 1xyg s GLN 43 N -0.72 0.56 -0.13 0.44 0.74 0.75 -4.69 119.66 116.61 1xyg s GLN 43 Ca 0.16 -0.06 -0.29 0.00 0.05 0.00 0.00 55.36 55.22 1xyg s GLN 43 Cb -0.13 -0.62 -0.02 0.00 1.10 0.00 0.00 33.01 33.34 1xyg s GLN 43 CO 0.05 -0.06 1.23 0.08 -0.55 0.00 0.00 175.29 176.04 1xyg s VAL 44 N 0.73 4.30 0.00 1.34 1.01 -1.26 0.47 120.40 126.99 1xyg s VAL 44 Ca -0.09 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1xyg s VAL 44 Cb -0.12 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1xyg s VAL 44 CO -0.00 -0.09 0.00 0.35 0.00 0.00 0.00 175.10 175.35 1xyg n THR 45 N 5.12 0.00 -3.73 3.92 -2.24 -0.28 -4.65 114.28 112.41 1xyg n THR 45 Ca 0.13 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 1xyg n THR 45 Cb 0.45 0.99 -0.13 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 -1.83 0.49 -0.06 3.22 2.96 -1.10 -4.84 118.68 117.53 1xyg s LEU 46 Ca 0.00 0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 54.38 1xyg s LEU 46 Cb 0.00 0.64 0.03 0.00 0.50 0.00 0.00 46.19 47.36 1xyg s LEU 46 CO 0.00 -0.16 -0.01 -0.04 -1.32 0.00 0.00 176.35 174.81 1xyg s MET 47 N 1.24 0.64 0.09 1.98 -1.94 -1.26 -0.12 119.30 119.93 1xyg s MET 47 Ca -0.09 0.03 -0.08 0.00 -1.71 0.00 0.00 55.69 53.84 1xyg s MET 47 Cb -0.11 -0.86 -0.06 0.00 2.01 0.00 0.00 34.83 35.82 1xyg s MET 47 CO -0.08 -0.21 0.38 0.99 -0.01 0.00 0.00 175.02 176.09 1xyg s THR 48 N 1.49 5.14 0.00 2.05 2.01 0.17 -0.99 115.64 125.51 1xyg s THR 48 Ca -0.02 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.25 1xyg s THR 48 Cb -0.13 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1xyg s THR 48 CO -0.03 0.21 0.00 0.00 -0.69 0.00 0.00 174.62 174.11 1xyg n ALA 49 N 0.64 0.00 0.02 7.40 0.00 -1.04 -0.00 120.51 127.52 1xyg n ALA 49 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1xyg n ALA 49 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 1xyg n ALA 49 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xyg h ASP 50 N 0.00 0.03 0.00 0.00 3.32 -1.95 0.37 116.42 118.20 1xyg h ASP 50 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1xyg h ASP 50 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1xyg h ASP 50 CO 0.00 0.12 0.12 0.54 -1.72 0.00 0.00 179.24 178.30 1xyg n ARG 51 N -5.02 0.07 -1.39 3.56 3.00 -1.26 -1.50 116.66 114.12 1xyg n ARG 51 Ca -0.07 0.53 0.03 0.00 -0.01 0.00 0.00 57.85 58.33 1xyg n ARG 51 Cb 0.07 -1.86 0.01 0.00 0.00 0.00 0.00 32.46 30.68 1xyg n ARG 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1xyg n LYS 52 N -1.88 0.00 -2.02 5.56 5.02 -0.93 -5.11 118.16 118.79 1xyg n LYS 52 Ca -0.01 -1.85 -0.38 0.00 -2.02 0.00 0.00 58.31 54.06 1xyg n LYS 52 Cb 0.14 -0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.16 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 0.00 2.89 0.00 7.82 0.00 0.13 -2.22 121.76 130.38 1xyg s ALA 53 Ca 0.29 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1xyg s ALA 53 Cb 0.33 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1xyg s ALA 53 CO -0.14 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.01 1xyg n GLY 54 N 0.58 0.92 3.83 0.00 0.00 0.30 -4.96 105.19 105.87 1xyg n GLY 54 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1xyg n GLY 54 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xyg s GLN 55 N -0.00 3.00 0.18 1.61 0.74 -0.94 -4.87 119.66 119.38 1xyg s GLN 55 Ca 0.00 -0.88 -0.21 0.00 0.05 0.00 0.00 55.36 54.32 1xyg s GLN 55 Cb 0.00 -2.68 -0.08 0.00 1.10 0.00 0.00 33.01 31.36 1xyg s GLN 55 CO 0.00 0.46 0.71 0.45 -0.55 0.00 0.00 175.29 176.36 1xyg s SER 56 N -3.37 7.14 0.27 6.67 0.15 -1.26 -1.73 113.70 121.58 1xyg s SER 56 Ca 0.32 1.44 -0.03 0.00 0.70 0.00 0.00 55.95 58.38 1xyg s SER 56 Cb -0.10 -2.43 0.38 0.00 -1.71 0.00 0.00 66.02 62.17 1xyg s SER 56 CO 0.25 0.11 1.93 -0.03 1.20 0.00 0.00 173.24 176.70 1xyg h MET 57 N 3.81 1.17 -0.31 5.44 4.05 -1.92 0.04 114.93 127.21 1xyg h MET 57 Ca -0.48 -0.07 0.09 0.00 -0.28 0.00 0.00 59.70 58.96 1xyg h MET 57 Cb 1.20 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 31.72 1xyg h MET 57 CO 0.65 0.78 0.23 0.93 0.23 0.00 0.00 176.91 179.72 1xyg h GLU 58 N 1.21 0.00 0.00 0.39 5.08 -1.92 0.71 114.58 120.05 1xyg h GLU 58 Ca 0.37 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.62 1xyg h GLU 58 Cb -0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1xyg h GLU 58 CO -0.11 0.00 -0.51 0.66 -1.00 0.00 0.00 179.01 178.05 1xyg h SER 59 N 0.00 0.00 0.07 1.42 4.64 -1.38 -1.88 113.55 116.43 1xyg h SER 59 Ca 0.15 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.19 1xyg h SER 59 Cb 0.60 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1xyg h SER 59 CO -0.00 0.51 -1.45 0.58 -0.87 0.00 0.00 176.83 175.60 1xyg h VAL 60 N 0.00 0.92 -2.81 0.95 2.07 -0.49 -3.43 116.25 113.45 1xyg h VAL 60 Ca -0.01 -2.30 -0.60 0.00 0.82 0.00 0.00 66.70 64.61 1xyg h VAL 60 Cb 0.93 2.51 -0.40 0.00 -1.52 0.00 0.00 31.29 32.81 1xyg h VAL 60 CO 0.07 0.61 -0.78 -0.36 0.02 0.00 0.00 177.57 177.12 1xyg s PHE 61 N -2.45 1.87 0.67 1.57 0.08 0.21 -4.99 117.98 114.94 1xyg s PHE 61 Ca -0.24 -2.44 0.39 0.00 0.12 0.00 0.00 56.93 54.76 1xyg s PHE 61 Cb 0.05 -1.67 2.14 0.00 -0.57 0.00 0.00 43.02 42.97 1xyg s PHE 61 CO 0.70 -0.76 2.21 -1.35 -0.10 0.00 0.00 175.22 175.92 1xyg h PRO 62 N 6.31 0.00 0.00 0.24 0.11 -1.54 -1.81 132.00 135.31 1xyg h PRO 62 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1xyg h PRO 62 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1xyg h PRO 62 CO 0.47 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.87 1xyg n HIS 63 N -3.03 0.36 -0.08 0.65 1.44 -1.26 -2.29 115.22 111.00 1xyg n HIS 63 Ca -0.03 0.14 0.09 0.00 -2.01 0.00 0.00 57.72 55.91 1xyg n HIS 63 Cb 0.18 -0.73 0.28 0.00 0.12 0.00 0.00 29.99 29.85 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 -1.83 3.65 0.16 2.39 4.77 -0.68 -4.56 117.00 120.91 1xyg n LEU 64 Ca 0.03 -1.83 0.12 0.00 -0.03 0.00 0.00 56.01 54.29 1xyg n LEU 64 Cb 0.19 -0.47 0.59 0.00 -2.33 0.00 0.00 43.42 41.41 1xyg n LEU 64 CO 0.16 0.75 0.84 -2.11 -1.33 0.00 0.00 177.39 175.71 1xyg n ARG 65 N 1.10 0.15 0.16 3.23 1.85 -0.97 -1.58 116.66 120.60 1xyg n ARG 65 Ca 0.21 0.61 0.13 0.00 -1.00 0.00 0.00 57.85 57.80 1xyg n ARG 65 Cb 0.64 -1.96 0.39 0.00 -1.05 0.00 0.00 32.46 30.48 1xyg n ARG 65 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xyg h ALA 66 N 2.04 1.00 -2.67 2.89 0.00 -1.87 -3.45 119.26 117.20 1xyg h ALA 66 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1xyg h ALA 66 Cb 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1xyg h ALA 66 CO 0.00 0.00 -0.23 -0.65 0.00 0.00 0.00 179.25 178.37 1xyg s GLN 67 N -3.24 3.84 -0.72 0.00 -0.21 -0.61 -5.03 119.66 113.69 1xyg s GLN 67 Ca 0.07 0.30 -0.19 0.00 0.02 0.00 0.00 55.36 55.57 1xyg s GLN 67 Cb 0.09 -3.13 0.12 0.00 1.00 0.00 0.00 33.01 31.10 1xyg s GLN 67 CO 0.57 0.64 0.85 0.15 -2.12 0.00 0.00 175.29 175.38 1xyg s LYS 68 N -1.41 3.27 0.15 2.91 3.01 -1.26 -5.03 119.74 121.39 1xyg s LYS 68 Ca 0.27 -1.54 0.06 0.00 -1.01 0.00 0.00 55.97 53.76 1xyg s LYS 68 Cb -0.15 -4.44 -0.04 0.00 -1.01 0.00 0.00 37.83 32.18 1xyg s LYS 68 CO 0.15 -1.60 0.02 -0.51 0.51 0.00 0.00 175.35 173.92 1xyg s LEU 69 N 2.49 3.42 0.89 3.17 1.43 -1.26 -5.08 118.68 123.74 1xyg s LEU 69 Ca 0.19 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 52.88 1xyg s LEU 69 Cb -0.17 -2.08 0.13 0.00 0.03 0.00 0.00 46.19 44.10 1xyg s LEU 69 CO 0.01 0.11 1.13 -2.84 0.23 0.00 0.00 176.35 174.98 1xyg s PRO 70 N -2.82 1.26 0.38 1.29 0.02 -1.26 -4.94 135.00 128.93 1xyg s PRO 70 Ca 0.28 1.40 -0.25 0.00 0.02 0.00 0.00 61.00 62.45 1xyg s PRO 70 Cb -0.10 -1.77 -0.09 0.00 0.02 0.00 0.00 34.50 32.57 1xyg s PRO 70 CO 0.19 -2.42 1.06 -0.08 -0.33 0.00 0.00 177.00 175.43 1xyg s THR 71 N -2.72 3.64 0.12 0.99 -1.32 -1.26 -4.59 115.64 110.51 1xyg s THR 71 Ca 0.65 1.31 -0.30 0.00 -1.21 0.00 0.00 61.69 62.14 1xyg s THR 71 Cb -0.21 -3.70 -0.07 0.00 -1.51 0.00 0.00 72.50 67.00 1xyg s THR 71 CO 0.58 0.06 1.22 -0.76 -2.21 0.00 0.00 174.62 173.51 1xyg s LEU 72 N -2.48 4.41 0.13 9.08 1.43 -0.70 -4.54 118.68 125.99 1xyg s LEU 72 Ca 0.56 2.15 0.09 0.00 -1.03 0.00 0.00 54.13 55.90 1xyg s LEU 72 Cb -0.24 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 1xyg s LEU 72 CO 0.30 -0.45 -0.20 0.68 0.23 0.00 0.00 176.35 176.91 1xyg s VAL 73 N 0.58 1.79 0.59 -1.59 -7.23 -0.16 0.11 120.40 114.48 1xyg s VAL 73 Ca 0.57 -1.68 -0.19 0.00 -1.81 0.00 0.00 61.98 58.87 1xyg s VAL 73 Cb -0.32 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 1xyg s VAL 73 CO 0.33 -0.13 1.21 -0.55 -0.31 0.00 0.00 175.10 175.64 1xyg s SER 74 N -2.17 5.23 0.17 4.85 0.15 -1.26 -2.51 113.70 118.16 1xyg s SER 74 Ca 0.10 2.39 -0.14 0.00 0.70 0.00 0.00 55.95 59.00 1xyg s SER 74 Cb -0.09 -2.60 0.07 0.00 -1.71 0.00 0.00 66.02 61.69 1xyg s SER 74 CO 0.05 -1.57 1.81 0.58 1.20 0.00 0.00 173.24 175.32 1xyg h VAL 75 N 0.93 1.16 -0.32 4.45 2.07 -1.95 -2.06 116.25 120.53 1xyg h VAL 75 Ca -0.50 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 66.72 1xyg h VAL 75 Cb 1.30 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1xyg h VAL 75 CO 0.55 0.16 0.07 0.11 0.02 0.00 0.00 177.57 178.49 1xyg h LYS 76 N 0.73 0.18 0.00 1.57 1.57 -2.04 -1.56 116.57 117.02 1xyg h LYS 76 Ca 0.20 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1xyg h LYS 76 Cb -0.03 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1xyg h LYS 76 CO -0.04 0.12 0.00 -0.25 -0.57 0.00 0.00 179.45 178.71 1xyg n ASP 77 N -5.08 0.00 -4.82 0.86 8.00 -1.04 -4.84 116.55 109.64 1xyg n ASP 77 Ca 0.01 -0.18 -0.36 0.00 0.71 0.00 0.00 54.79 54.96 1xyg n ASP 77 Cb 0.14 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 40.95 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 -2.45 3.45 -0.22 2.24 0.00 -0.59 -4.93 121.76 119.26 1xyg s ALA 78 Ca 0.24 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1xyg s ALA 78 Cb 0.15 -2.76 0.03 0.00 0.00 0.00 0.00 23.12 20.54 1xyg s ALA 78 CO 0.33 0.35 -0.13 0.34 0.00 0.00 0.00 175.76 176.66 1xyg s ASP 79 N -1.65 3.85 0.00 0.00 -1.08 -1.26 -5.01 116.67 111.52 1xyg s ASP 79 Ca 0.42 -0.84 0.18 0.00 -0.52 0.00 0.00 52.55 51.79 1xyg s ASP 79 Cb -0.16 -1.57 0.62 0.00 -1.46 0.00 0.00 42.92 40.34 1xyg s ASP 79 CO 0.21 -0.08 1.46 0.49 0.52 0.00 0.00 175.17 177.77 1xyg n PHE 80 N 4.61 0.30 -0.27 -5.34 3.01 -1.26 -3.77 117.46 114.73 1xyg n PHE 80 Ca -0.18 -0.15 0.06 0.00 1.01 0.00 0.00 57.45 58.19 1xyg n PHE 80 Cb 0.48 0.00 0.29 0.00 -0.01 0.00 0.00 39.48 40.24 1xyg n PHE 80 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1xyg n SER 81 N 0.40 4.20 -0.06 4.37 3.41 -1.26 -3.13 113.62 121.55 1xyg n SER 81 Ca 0.15 -2.55 -0.01 0.00 -0.26 0.00 0.00 58.87 56.20 1xyg n SER 81 Cb 0.32 -0.58 -0.16 0.00 -0.26 0.00 0.00 64.21 63.53 1xyg n SER 81 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1xyg n THR 82 N 0.59 0.77 -4.00 6.66 -1.04 -1.25 -4.96 114.28 111.05 1xyg n THR 82 Ca 0.20 -0.68 -0.28 0.00 -2.04 0.00 0.00 64.05 61.25 1xyg n THR 82 Cb 0.86 -0.27 -0.05 0.00 -1.82 0.00 0.00 70.33 69.05 1xyg n THR 82 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1xyg s VAL 83 N -2.88 4.92 -0.12 12.58 1.01 -1.19 -4.87 120.40 129.86 1xyg s VAL 83 Ca -0.09 -0.75 0.19 0.00 0.00 0.00 0.00 61.98 61.33 1xyg s VAL 83 Cb 0.09 -3.46 -0.22 0.00 0.00 0.00 0.00 36.38 32.79 1xyg s VAL 83 CO 0.82 0.00 0.53 0.47 0.00 0.00 0.00 175.10 176.93 1xyg n ASP 84 N -0.08 0.34 -3.68 3.32 8.00 0.13 -4.93 116.55 119.65 1xyg n ASP 84 Ca -0.07 0.15 -0.11 0.00 0.71 0.00 0.00 54.79 55.46 1xyg n ASP 84 Cb 0.53 1.03 -0.06 0.00 -0.02 0.00 0.00 41.12 42.60 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 -3.06 -0.87 0.01 2.24 0.00 -1.13 -3.27 121.76 115.69 1xyg s ALA 85 Ca -0.06 0.05 0.03 0.00 0.00 0.00 0.00 51.96 51.98 1xyg s ALA 85 Cb 0.10 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 1xyg s ALA 85 CO 0.85 -0.53 -0.10 0.08 0.00 0.00 0.00 175.76 176.06 1xyg s VAL 86 N -3.12 0.74 -0.18 0.00 1.01 -0.24 -1.26 120.40 117.34 1xyg s VAL 86 Ca -0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 1xyg s VAL 86 Cb 0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 1xyg s VAL 86 CO -0.07 0.03 -0.07 -0.36 0.00 0.00 0.00 175.10 174.63 1xyg s PHE 87 N -0.58 2.93 -0.30 5.22 0.08 -0.12 -1.55 117.98 123.66 1xyg s PHE 87 Ca 0.00 -0.70 -0.07 0.00 0.12 0.00 0.00 56.93 56.28 1xyg s PHE 87 Cb -0.06 -1.99 0.01 0.00 -0.57 0.00 0.00 43.02 40.42 1xyg s PHE 87 CO 0.00 -0.33 0.08 0.00 -0.10 0.00 0.00 175.22 174.88 1xyg s LEU 90 N -3.41 3.16 0.21 0.00 1.43 -1.22 -4.69 118.68 114.16 1xyg s LEU 90 Ca 0.46 1.73 -0.30 0.00 -1.03 0.00 0.00 54.13 54.99 1xyg s LEU 90 Cb 0.40 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 42.02 1xyg s LEU 90 CO -0.01 -1.62 1.18 -2.84 0.23 0.00 0.00 176.35 173.29 1xyg s PRO 91 N -4.82 4.52 0.41 1.29 0.02 -1.26 -4.72 135.00 130.43 1xyg s PRO 91 Ca 0.60 1.88 -0.21 0.00 0.02 0.00 0.00 61.00 63.29 1xyg s PRO 91 Cb -0.16 -3.22 -0.15 0.00 0.02 0.00 0.00 34.50 30.99 1xyg s PRO 91 CO 0.52 -0.02 0.14 1.58 -0.33 0.00 0.00 177.00 178.89 1xyg n HIS 92 N 2.11 -1.91 -1.16 6.54 -0.00 -1.26 -2.32 115.22 117.22 1xyg n HIS 92 Ca 0.03 0.62 -0.05 0.00 -0.00 0.00 0.00 57.72 58.31 1xyg n HIS 92 Cb 0.45 -1.80 -0.02 0.00 -0.00 0.00 0.00 29.99 28.61 1xyg n HIS 92 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xyg n GLY 93 N 2.27 0.80 0.00 1.57 0.00 -1.26 -4.81 105.19 103.77 1xyg n GLY 93 Ca 0.11 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.83 0.00 -0.04 2.61 -2.24 -0.98 -4.94 114.28 105.87 1xyg n THR 94 Ca -0.05 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.56 1xyg n THR 94 Cb 0.19 0.50 -0.12 0.00 -2.10 0.00 0.00 70.33 68.80 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 0.00 1.59 -0.51 4.28 2.02 -1.88 -3.33 112.91 115.09 1xyg h THR 95 Ca 0.00 -1.94 0.10 0.00 0.77 0.00 0.00 66.41 65.34 1xyg h THR 95 Cb 0.00 2.85 -0.10 0.00 -1.74 0.00 0.00 68.15 69.17 1xyg h THR 95 CO 0.00 0.52 -0.13 1.56 0.37 0.00 0.00 175.52 177.84 1xyg h GLN 96 N -0.63 -0.00 -0.16 6.66 4.20 -1.92 0.65 115.11 123.91 1xyg h GLN 96 Ca -0.02 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.55 1xyg h GLN 96 Cb 0.93 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 1xyg h GLN 96 CO 0.03 -0.00 -0.49 0.93 -0.67 0.00 0.00 178.83 178.63 1xyg h GLU 97 N -0.00 0.42 -0.19 1.46 5.08 -1.84 -1.62 114.58 117.89 1xyg h GLU 97 Ca 0.24 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1xyg h GLU 97 Cb 0.37 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1xyg h GLU 97 CO -0.52 0.82 -0.28 0.82 -1.00 0.00 0.00 179.01 178.85 1xyg h ILE 98 N 0.34 1.34 -0.16 3.13 2.04 -1.53 -3.02 117.51 119.64 1xyg h ILE 98 Ca 0.02 -1.49 -0.12 0.00 1.00 0.00 0.00 64.86 64.27 1xyg h ILE 98 Cb 0.98 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 1xyg h ILE 98 CO 0.09 0.45 -0.40 0.40 0.00 0.00 0.00 178.15 178.69 1xyg h ILE 99 N 0.19 1.31 -0.14 -0.67 2.04 -0.90 -2.72 117.51 116.62 1xyg h ILE 99 Ca 0.02 -1.53 -0.03 0.00 1.00 0.00 0.00 64.86 64.32 1xyg h ILE 99 Cb 0.85 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1xyg h ILE 99 CO 0.06 0.47 -0.04 0.50 0.00 0.00 0.00 178.15 179.14 1xyg h LYS 100 N 0.30 0.20 -0.09 2.37 3.64 -1.28 -2.55 116.57 119.16 1xyg h LYS 100 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xyg h LYS 100 Cb 0.84 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1xyg h LYS 100 CO 0.07 0.26 0.00 0.39 -2.27 0.00 0.00 179.45 177.90 1xyg n GLU 101 N -4.37 1.82 -1.97 1.90 -0.58 -1.04 -4.95 120.64 111.45 1xyg n GLU 101 Ca -0.01 -1.20 -0.33 0.00 -0.42 0.00 0.00 57.16 55.20 1xyg n GLU 101 Cb 0.19 -1.45 0.02 0.00 -0.57 0.00 0.00 31.44 29.63 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 -1.82 3.46 0.97 -4.62 1.43 -0.96 -4.99 118.68 112.14 1xyg s LEU 102 Ca 0.35 1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 55.20 1xyg s LEU 102 Cb 0.20 -4.54 0.18 0.00 0.03 0.00 0.00 46.19 42.06 1xyg s LEU 102 CO 0.31 -1.28 1.12 -2.16 0.23 0.00 0.00 176.35 174.57 1xyg s PRO 103 N -4.10 0.57 0.00 1.29 0.04 -1.26 -4.92 135.00 126.62 1xyg s PRO 103 Ca 0.64 1.39 0.25 0.00 0.04 0.00 0.00 61.00 63.32 1xyg s PRO 103 Cb -0.17 -1.69 0.50 0.00 0.04 0.00 0.00 34.50 33.18 1xyg s PRO 103 CO 0.38 -2.88 1.41 0.25 0.04 0.00 0.00 177.00 176.20 1xyg n THR 104 N -4.39 0.00 -0.27 1.26 -2.24 -1.26 -3.77 114.28 103.61 1xyg n THR 104 Ca 0.10 -0.20 0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1xyg n THR 104 Cb 0.53 0.74 0.28 0.00 -2.10 0.00 0.00 70.33 69.78 1xyg n THR 104 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xyg n ALA 105 N -0.29 3.36 -2.94 6.98 0.00 -1.26 -4.82 120.51 121.54 1xyg n ALA 105 Ca 0.12 -1.32 -0.34 0.00 0.00 0.00 0.00 53.44 51.90 1xyg n ALA 105 Cb 0.40 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.85 3.39 -0.06 0.00 1.43 -1.25 -4.90 118.68 115.44 1xyg s LEU 106 Ca 0.39 -0.09 -0.22 0.00 -1.03 0.00 0.00 54.13 53.18 1xyg s LEU 106 Cb 0.28 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1xyg s LEU 106 CO 0.13 0.16 0.64 -0.54 0.23 0.00 0.00 176.35 176.97 1xyg s LYS 107 N 0.44 4.40 -0.05 1.70 1.02 -1.20 -4.86 119.74 121.19 1xyg s LYS 107 Ca -0.02 0.78 0.04 0.00 0.02 0.00 0.00 55.97 56.79 1xyg s LYS 107 Cb -0.14 -3.42 -0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1xyg s LYS 107 CO 0.02 0.16 -0.19 0.42 -0.92 0.00 0.00 175.35 174.84 1xyg s ILE 108 N 0.52 1.55 -0.26 2.17 1.01 0.21 -1.08 121.20 125.31 1xyg s ILE 108 Ca 0.34 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1xyg s ILE 108 Cb -0.17 -1.33 0.07 0.00 0.01 0.00 0.00 42.46 41.03 1xyg s ILE 108 CO 0.17 0.44 -0.07 -0.69 0.00 0.00 0.00 174.94 174.79 1xyg s VAL 109 N 0.07 1.93 -0.25 2.92 1.01 -0.59 -0.17 120.40 125.32 1xyg s VAL 109 Ca -0.06 -1.57 -0.18 0.00 0.00 0.00 0.00 61.98 60.18 1xyg s VAL 109 Cb -0.13 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1xyg s VAL 109 CO 0.03 -0.13 0.50 -0.62 0.00 0.00 0.00 175.10 174.88 1xyg s ASP 110 N 1.19 6.44 0.00 3.32 2.15 0.26 -1.30 116.67 128.74 1xyg s ASP 110 Ca -0.05 0.53 0.27 0.00 0.43 0.00 0.00 52.55 53.73 1xyg s ASP 110 Cb -0.19 -2.28 0.89 0.00 -0.30 0.00 0.00 42.92 41.04 1xyg s ASP 110 CO -0.06 -0.26 1.67 0.18 -0.17 0.00 0.00 175.17 176.53 1xyg n LEU 111 N 5.38 0.37 -4.78 -1.34 4.32 0.32 -0.16 117.00 121.11 1xyg n LEU 111 Ca -0.05 0.14 -0.30 0.00 -0.02 0.00 0.00 56.01 55.78 1xyg n LEU 111 Cb 0.50 -0.30 0.21 0.00 -1.62 0.00 0.00 43.42 42.20 1xyg n LEU 111 CO 0.40 0.08 0.76 -0.94 -1.22 0.00 0.00 177.39 176.48 1xyg s SER 112 N -2.86 2.16 0.00 -1.43 1.04 -1.25 -4.82 113.70 106.54 1xyg s SER 112 Ca 0.16 0.45 0.23 0.00 0.48 0.00 0.00 55.95 57.27 1xyg s SER 112 Cb 0.19 -0.60 0.13 0.00 0.10 0.00 0.00 66.02 65.84 1xyg s SER 112 CO 0.59 -3.34 1.16 0.00 0.98 0.00 0.00 173.24 172.63 1xyg n ALA 113 N -4.21 3.79 0.22 5.32 0.00 -1.26 -4.57 120.51 119.81 1xyg n ALA 113 Ca 0.14 -0.56 0.13 0.00 0.00 0.00 0.00 53.44 53.15 1xyg n ALA 113 Cb 0.59 -0.88 0.71 0.00 0.00 0.00 0.00 19.45 19.88 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 1.34 0.00 0.00 0.00 3.32 -1.96 -2.51 116.42 116.62 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 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 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 -2.46 0.00 0.01 4.55 3.72 -1.26 -4.76 117.46 117.25 1xyg n PHE 115 Ca -0.02 -0.44 -0.19 0.00 -0.05 0.00 0.00 57.45 56.75 1xyg n PHE 115 Cb 0.13 -0.04 -0.09 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.68 -6.12 -1.08 3.08 -1.74 -3.45 114.38 105.76 1xyg h ARG 116 Ca 0.00 -0.67 -0.56 0.00 0.07 0.00 0.00 59.98 58.82 1xyg h ARG 116 Cb 0.51 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 1xyg h ARG 116 CO 0.00 1.26 0.37 -0.51 -1.07 0.00 0.00 179.97 180.02 1xyg s LEU 117 N -8.27 4.26 0.19 3.04 1.02 -1.26 -4.95 118.68 112.70 1xyg s LEU 117 Ca -0.11 1.35 0.16 0.00 0.02 0.00 0.00 54.13 55.55 1xyg s LEU 117 Cb 0.07 -3.34 -0.02 0.00 0.02 0.00 0.00 46.19 42.92 1xyg s LEU 117 CO 0.90 -0.33 1.19 0.08 0.02 0.00 0.00 176.35 178.21 1xyg h ARG 118 N 7.06 0.00 -6.32 1.70 0.11 -1.94 -3.43 114.38 111.56 1xyg h ARG 118 Ca -0.34 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.16 1xyg h ARG 118 Cb 1.16 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.16 1xyg h ARG 118 CO 0.81 0.41 0.72 1.21 0.10 0.00 0.00 179.97 183.22 1xyg s ASN 119 N -6.16 6.64 0.15 0.08 3.84 -1.26 -4.93 114.94 113.29 1xyg s ASN 119 Ca 0.01 0.46 -0.17 0.00 0.21 0.00 0.00 52.86 53.37 1xyg s ASN 119 Cb 0.08 -2.49 0.04 0.00 -0.55 0.00 0.00 41.25 38.32 1xyg s ASN 119 CO 0.77 -1.04 1.73 0.40 -2.79 0.00 0.00 177.10 176.18 1xyg h ILE 120 N 6.01 0.86 -0.65 -5.21 1.08 -1.99 -1.65 117.51 115.95 1xyg h ILE 120 Ca -0.23 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.20 1xyg h ILE 120 Cb 1.07 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 35.45 1xyg h ILE 120 CO 1.04 0.03 0.43 0.00 -0.69 0.00 0.00 178.15 178.97 1xyg h ALA 121 N 1.23 1.60 -0.50 1.87 0.00 -1.99 -1.44 119.26 120.03 1xyg h ALA 121 Ca 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1xyg h ALA 121 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1xyg h ALA 121 CO -0.18 0.34 0.11 1.49 0.00 0.00 0.00 179.25 181.01 1xyg h GLU 122 N 0.82 0.82 -0.61 0.00 4.81 -1.79 -1.43 114.58 117.19 1xyg h GLU 122 Ca 0.25 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 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 -0.07 0.80 0.31 -0.92 -0.73 0.00 0.00 179.01 178.40 1xyg h TYR 123 N 0.70 0.86 -0.46 0.92 3.20 -0.40 -2.44 116.97 119.35 1xyg h TYR 123 Ca 0.16 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1xyg h TYR 123 Cb 0.36 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1xyg h TYR 123 CO 0.02 0.64 0.12 0.93 -1.64 0.00 0.00 178.16 178.24 1xyg h GLU 124 N 0.83 0.72 -0.31 1.82 5.08 -1.03 0.88 114.58 122.57 1xyg h GLU 124 Ca 0.21 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 1xyg h GLU 124 Cb 0.09 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1xyg h GLU 124 CO -0.03 0.71 -0.27 1.05 -1.00 0.00 0.00 179.01 179.47 1xyg h GLU 125 N 0.60 0.63 0.00 2.33 4.11 -1.18 -1.18 114.58 119.90 1xyg h GLU 125 Ca 0.14 -0.26 -0.07 0.00 0.07 0.00 0.00 59.36 59.24 1xyg h GLU 125 Cb 0.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1xyg h GLU 125 CO -0.00 0.84 -0.90 -1.49 0.07 0.00 0.00 179.01 177.53 1xyg h TRP 126 N 0.55 0.00 -0.03 2.06 4.06 -1.37 -3.37 115.95 117.85 1xyg h TRP 126 Ca 0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.02 1xyg h TRP 126 Cb 0.74 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.90 1xyg h TRP 126 CO 0.03 0.27 0.00 0.66 -3.56 0.00 0.00 178.44 175.84 1xyg n TYR 127 N -2.90 0.02 -1.63 0.49 4.01 0.30 -4.90 117.16 112.55 1xyg n TYR 127 Ca -0.02 -0.02 -0.13 0.00 -0.16 0.00 0.00 57.90 57.57 1xyg n TYR 127 Cb 0.67 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.66 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 0.63 0.95 3.50 2.72 0.00 -0.45 -5.01 105.19 107.53 1xyg n GLY 128 Ca 0.07 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.55 1.00 0.62 1.61 -2.07 -1.23 -5.07 119.66 110.98 1xyg s GLN 129 Ca 0.00 -0.09 -0.18 0.00 -1.82 0.00 0.00 55.36 53.28 1xyg s GLN 129 Cb 0.00 0.47 -0.02 0.00 -1.09 0.00 0.00 33.01 32.37 1xyg s GLN 129 CO 0.00 -0.38 1.19 -1.25 -1.32 0.00 0.00 175.29 173.52 1xyg s PRO 130 N -2.32 2.82 -0.07 9.60 0.05 -1.26 -4.17 135.00 139.64 1xyg s PRO 130 Ca -0.03 1.73 -0.30 0.00 0.05 0.00 0.00 61.00 62.45 1xyg s PRO 130 Cb -0.01 -1.92 -0.03 0.00 0.05 0.00 0.00 34.50 32.60 1xyg s PRO 130 CO -0.02 -1.30 1.18 -1.58 0.05 0.00 0.00 177.00 175.33 1xyg s HIS 131 N -1.79 3.21 -0.66 0.56 2.46 -1.26 -4.91 115.29 112.89 1xyg s HIS 131 Ca 0.75 1.25 0.15 0.00 0.47 0.00 0.00 55.06 57.68 1xyg s HIS 131 Cb -0.28 -3.40 0.76 0.00 -0.13 0.00 0.00 32.58 29.53 1xyg s HIS 131 CO 0.36 -1.19 1.67 1.63 -2.47 0.00 0.00 174.74 174.74 1xyg n LYS 132 N 5.31 4.32 -2.71 2.88 5.02 -1.26 -4.32 118.16 127.40 1xyg n LYS 132 Ca 0.11 -2.95 -0.05 0.00 -2.02 0.00 0.00 58.31 53.40 1xyg n LYS 132 Cb 0.46 -2.09 0.09 0.00 -0.02 0.00 0.00 35.03 33.47 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 0.83 2.41 -0.28 7.82 0.00 -1.26 -4.69 120.51 125.34 1xyg n ALA 133 Ca 0.26 -1.85 0.07 0.00 0.00 0.00 0.00 53.44 51.92 1xyg n ALA 133 Cb 1.05 -0.91 0.19 0.00 0.00 0.00 0.00 19.45 19.77 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 3.43 0.28 0.19 0.00 2.07 -2.00 -1.68 116.25 118.54 1xyg h VAL 134 Ca -0.27 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1xyg h VAL 134 Cb 1.27 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1xyg h VAL 134 CO 0.06 0.02 -0.09 -0.33 0.02 0.00 0.00 177.57 177.25 1xyg h GLU 135 N 0.09 -0.25 -0.76 1.57 4.39 -1.97 -3.06 114.58 114.60 1xyg h GLU 135 Ca 0.45 0.02 0.15 0.00 0.34 0.00 0.00 59.36 60.32 1xyg h GLU 135 Cb 0.83 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.49 1xyg h GLU 135 CO -0.72 0.06 0.51 1.25 -1.16 0.00 0.00 179.01 178.94 1xyg h LEU 136 N -0.56 0.40 -1.46 1.33 5.85 -1.89 -2.05 115.31 116.94 1xyg h LEU 136 Ca -0.03 0.02 0.18 0.00 0.84 0.00 0.00 57.88 58.90 1xyg h LEU 136 Cb 0.42 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 1xyg h LEU 136 CO 0.04 0.21 0.57 -0.61 -0.34 0.00 0.00 178.44 178.31 1xyg h GLN 137 N 0.43 0.46 0.00 1.25 5.75 -1.21 -1.68 115.11 120.11 1xyg h GLN 137 Ca 0.37 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.85 1xyg h GLN 137 Cb 0.85 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.29 1xyg h GLN 137 CO -0.12 0.31 0.00 0.36 -2.65 0.00 0.00 178.83 176.72 1xyg n LYS 138 N -4.52 0.14 -0.04 1.69 2.85 -0.77 -2.45 118.16 115.05 1xyg n LYS 138 Ca 0.18 0.14 0.08 0.00 -1.05 0.00 0.00 58.31 57.66 1xyg n LYS 138 Cb 0.61 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.59 1xyg n LYS 138 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1xyg n GLU 139 N -1.39 1.55 -2.68 -1.58 0.28 -0.63 -4.98 120.64 111.21 1xyg n GLU 139 Ca 0.07 -1.63 -0.40 0.00 -0.16 0.00 0.00 57.16 55.04 1xyg n GLU 139 Cb 0.19 -1.33 -0.05 0.00 1.43 0.00 0.00 31.44 31.67 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 -1.34 4.00 -0.11 3.84 1.01 -1.03 -4.67 120.40 122.11 1xyg s VAL 140 Ca 0.22 1.94 0.01 0.00 0.00 0.00 0.00 61.98 64.15 1xyg s VAL 140 Cb 0.15 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1xyg s VAL 140 CO 0.21 0.43 -0.15 -0.69 0.00 0.00 0.00 175.10 174.91 1xyg s VAL 141 N -0.95 2.92 -0.00 2.92 1.01 -1.06 -4.96 120.40 120.27 1xyg s VAL 141 Ca 0.43 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 1xyg s VAL 141 Cb -0.27 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 1xyg s VAL 141 CO 0.34 0.54 1.50 -0.47 0.00 0.00 0.00 175.10 177.01 1xyg s TYR 142 N 0.08 2.59 0.00 5.22 5.04 -1.26 -1.49 117.35 127.53 1xyg s TYR 142 Ca -0.06 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 1xyg s TYR 142 Cb -0.15 -3.77 0.00 0.00 0.35 0.00 0.00 41.96 38.39 1xyg s TYR 142 CO 0.05 -3.00 1.24 0.41 -1.34 0.00 0.00 175.55 172.91 1xyg n GLY 143 N 3.81 1.95 3.54 8.97 0.00 0.69 -4.74 105.19 119.42 1xyg n GLY 143 Ca 0.15 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 4.11 0.11 0.99 2.96 -1.26 -4.52 118.68 121.07 1xyg s LEU 144 Ca 0.00 -2.29 -0.22 0.00 -0.22 0.00 0.00 54.13 51.40 1xyg s LEU 144 Cb 0.00 -2.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 1xyg s LEU 144 CO 0.00 -1.16 1.17 0.41 -1.32 0.00 0.00 176.35 175.46 1xyg n THR 145 N 6.08 -0.49 0.32 3.68 -1.04 -1.26 -0.97 114.28 120.61 1xyg n THR 145 Ca 0.41 1.84 0.20 0.00 -2.04 0.00 0.00 64.05 64.45 1xyg n THR 145 Cb 0.47 -2.28 1.08 0.00 -1.82 0.00 0.00 70.33 67.78 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 0.03 -2.82 3.07 -1.99 -0.41 114.58 112.45 1xyg h GLU 146 Ca 0.11 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.60 1xyg h GLU 146 Cb 0.29 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.15 1xyg h GLU 146 CO -0.67 0.00 -2.14 -0.89 -1.40 0.00 0.00 179.01 173.91 1xyg n ILE 147 N -3.39 1.58 -1.24 3.13 2.08 -0.14 -4.59 119.36 116.79 1xyg n ILE 147 Ca -0.03 -0.44 -0.00 0.00 0.56 0.00 0.00 62.75 62.85 1xyg n ILE 147 Cb 0.10 -1.74 0.23 0.00 -0.75 0.00 0.00 39.64 37.47 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 -3.81 4.23 -0.34 1.39 4.77 -0.57 -4.81 117.00 117.86 1xyg n LEU 148 Ca -0.42 -3.44 -0.04 0.00 -0.03 0.00 0.00 56.01 52.08 1xyg n LEU 148 Cb 0.92 -0.61 -0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1xyg n LEU 148 CO 0.23 0.99 0.57 -0.09 -1.33 0.00 0.00 177.39 177.75 1xyg h ARG 149 N 1.36 -0.05 -0.82 3.23 2.43 -1.27 -0.12 114.38 119.13 1xyg h ARG 149 Ca 0.16 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 1xyg h ARG 149 Cb 1.66 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 31.17 1xyg h ARG 149 CO 0.37 -0.03 0.54 0.93 -1.51 0.00 0.00 179.97 180.27 1xyg h GLU 150 N -0.05 0.87 0.04 0.20 4.39 -1.87 -1.36 114.58 116.79 1xyg h GLU 150 Ca 0.28 -0.05 -0.24 0.00 0.34 0.00 0.00 59.36 59.68 1xyg h GLU 150 Cb 0.55 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1xyg h GLU 150 CO -0.90 0.58 -1.02 -0.44 -1.16 0.00 0.00 179.01 176.06 1xyg h ASP 151 N 0.90 0.51 -0.66 1.42 3.32 -1.61 -3.28 116.42 117.02 1xyg h ASP 151 Ca 0.36 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1xyg h ASP 151 Cb 0.24 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1xyg h ASP 151 CO -0.13 1.26 0.41 0.40 -1.72 0.00 0.00 179.24 179.47 1xyg h ILE 152 N 0.19 1.19 -0.89 0.35 2.04 -0.33 -2.85 117.51 117.20 1xyg h ILE 152 Ca -0.10 -0.39 0.16 0.00 1.00 0.00 0.00 64.86 65.53 1xyg h ILE 152 Cb 1.68 0.26 -0.07 0.00 -0.74 0.00 0.00 36.82 37.94 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 0.90 0.60 -0.49 2.37 1.57 -1.33 -2.10 116.57 118.09 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 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1xyg h LYS 153 CO -0.05 0.39 0.00 0.36 -0.57 0.00 0.00 179.45 179.59 1xyg n LYS 154 N -4.56 3.85 -3.64 3.15 2.85 -1.09 -4.49 118.16 114.23 1xyg n LYS 154 Ca 0.18 -2.91 -0.29 0.00 -1.05 0.00 0.00 58.31 54.24 1xyg n LYS 154 Cb 0.54 -1.96 -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 -2.39 3.79 -0.24 0.58 0.00 -0.79 -5.01 121.76 117.71 1xyg s ALA 155 Ca 0.48 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.74 1xyg s ALA 155 Cb 0.35 -2.08 -0.18 0.00 0.00 0.00 0.00 23.12 21.20 1xyg s ALA 155 CO 0.16 0.48 -0.14 -2.13 0.00 0.00 0.00 175.76 174.14 1xyg n ARG 156 N -0.46 0.67 -4.08 0.00 0.63 -1.26 -4.88 116.66 107.27 1xyg n ARG 156 Ca -0.03 0.16 -0.33 0.00 -0.92 0.00 0.00 57.85 56.72 1xyg n ARG 156 Cb 0.53 -1.55 -0.16 0.00 0.45 0.00 0.00 32.46 31.74 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 -6.56 2.36 -0.09 6.15 2.96 -1.26 0.64 118.68 122.87 1xyg s LEU 157 Ca -0.33 -0.68 0.03 0.00 -0.22 0.00 0.00 54.13 52.93 1xyg s LEU 157 Cb 0.09 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 1xyg s LEU 157 CO 0.63 -0.02 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.76 1xyg s VAL 158 N 1.30 2.57 -0.47 1.68 1.01 0.76 -2.57 120.40 124.69 1xyg s VAL 158 Ca 0.04 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 1xyg s VAL 158 Cb -0.14 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.26 1xyg s VAL 158 CO -0.11 0.55 0.61 0.00 0.00 0.00 0.00 175.10 176.15 1xyg s ALA 159 N 0.07 3.37 0.03 5.51 0.00 -0.55 -0.57 121.76 129.61 1xyg s ALA 159 Ca -0.08 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.07 1xyg s ALA 159 Cb -0.15 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 1xyg s ALA 159 CO 0.05 -1.87 1.40 1.21 0.00 0.00 0.00 175.76 176.55 1xyg s ASN 160 N 2.31 6.85 1.03 0.00 2.47 0.77 -0.22 114.94 128.15 1xyg s ASN 160 Ca 0.18 2.16 -0.12 0.00 0.42 0.00 0.00 52.86 55.50 1xyg s ASN 160 Cb -0.17 -2.57 0.18 0.00 -1.45 0.00 0.00 41.25 37.25 1xyg s ASN 160 CO 0.15 -0.70 0.93 -0.81 -3.72 0.00 0.00 177.10 172.95 1xyg n PRO 161 N 5.05 -1.26 -1.88 0.43 -0.04 -1.26 -4.70 135.00 131.34 1xyg n PRO 161 Ca 0.13 -0.32 -0.29 0.00 -0.04 0.00 0.00 63.50 62.98 1xyg n PRO 161 Cb 0.43 -2.19 0.10 0.00 -0.04 0.00 0.00 33.50 31.80 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 -2.42 1.61 0.01 0.55 0.00 -1.26 -4.76 107.32 101.04 1xyg s GLY 162 Ca 0.66 -0.69 -0.17 0.00 0.00 0.00 0.00 44.72 44.51 1xyg s GLY 162 CO 0.62 -0.17 0.98 0.00 0.00 0.00 0.00 173.10 174.53 1xyg h TYR 164 N -0.81 -0.27 -0.83 0.00 0.05 -1.95 -1.50 116.97 111.66 1xyg h TYR 164 Ca -0.06 0.04 0.15 0.00 0.05 0.00 0.00 58.73 58.91 1xyg h TYR 164 Cb 0.48 0.19 -0.06 0.00 1.01 0.00 0.00 36.73 38.35 1xyg h TYR 164 CO 0.06 -0.21 0.55 -1.35 -1.05 0.00 0.00 178.16 176.16 1xyg h PRO 165 N -0.01 0.52 -0.32 4.88 0.11 -1.91 -1.59 132.00 133.68 1xyg h PRO 165 Ca 0.22 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 1xyg h PRO 165 Cb 0.35 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1xyg h PRO 165 CO -0.48 0.34 0.08 1.15 -0.21 0.00 0.00 178.00 178.89 1xyg h THR 166 N 0.53 1.22 0.00 -1.15 2.02 -1.08 -0.56 112.91 113.89 1xyg h THR 166 Ca 0.42 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1xyg h THR 166 Cb 0.83 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1xyg h THR 166 CO -0.16 0.24 -0.08 0.71 0.37 0.00 0.00 175.52 176.60 1xyg h THR 167 N 0.35 0.30 0.05 3.16 1.35 -1.11 -2.97 112.91 114.03 1xyg h THR 167 Ca 0.10 -0.50 -0.31 0.00 -0.55 0.00 0.00 66.41 65.15 1xyg h THR 167 Cb 0.29 1.38 -0.03 0.00 -1.73 0.00 0.00 68.15 68.05 1xyg h THR 167 CO 0.00 0.08 -1.68 -0.38 -0.25 0.00 0.00 175.52 173.29 1xyg n ILE 168 N -3.35 1.63 -0.04 6.82 5.41 -0.91 -4.40 119.36 124.51 1xyg n ILE 168 Ca -0.01 -0.31 -0.09 0.00 1.00 0.00 0.00 62.75 63.34 1xyg n ILE 168 Cb 0.25 -1.89 0.07 0.00 -0.71 0.00 0.00 39.64 37.36 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 -0.56 0.67 -0.60 0.38 4.20 -1.16 -2.53 115.11 115.51 1xyg h GLN 169 Ca -0.41 -0.34 0.10 0.00 0.06 0.00 0.00 58.65 58.05 1xyg h GLN 169 Cb 1.62 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 29.34 1xyg h GLN 169 CO -0.11 0.95 0.21 -0.07 -0.67 0.00 0.00 178.83 179.14 1xyg h LEU 170 N 0.55 0.18 0.13 1.46 3.38 -1.75 -0.10 115.31 119.16 1xyg h LEU 170 Ca 0.05 0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 1xyg h LEU 170 Cb 0.92 0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.78 1xyg h LEU 170 CO 0.08 0.11 -0.92 -0.65 0.09 0.00 0.00 178.44 177.15 1xyg h PRO 171 N 0.37 0.40 -0.06 1.13 0.11 -1.76 -3.39 132.00 128.81 1xyg h PRO 171 Ca 0.31 -0.60 -0.20 0.00 0.11 0.00 0.00 66.00 65.62 1xyg h PRO 171 Cb 0.40 0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 1xyg h PRO 171 CO -0.33 1.26 -0.79 -0.07 -0.21 0.00 0.00 178.00 177.87 1xyg h LEU 172 N -0.16 0.49 0.00 2.35 3.38 -1.29 -3.30 115.31 116.78 1xyg h LEU 172 Ca -0.15 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.50 1xyg h LEU 172 Cb 1.69 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 1xyg h LEU 172 CO 0.18 1.10 -0.17 0.58 0.09 0.00 0.00 178.44 180.22 1xyg h VAL 173 N 0.26 0.59 -0.88 1.22 2.07 -1.21 -0.01 116.25 118.29 1xyg h VAL 173 Ca -0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1xyg h VAL 173 Cb 1.38 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 1xyg h VAL 173 CO 0.14 0.00 0.58 -0.65 0.02 0.00 0.00 177.57 177.66 1xyg h PRO 174 N -0.28 1.12 -0.46 1.57 0.11 -1.77 0.11 132.00 132.40 1xyg h PRO 174 Ca 0.05 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 65.96 1xyg h PRO 174 Cb 0.35 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1xyg h PRO 174 CO -0.16 0.74 -0.26 -0.07 -0.21 0.00 0.00 178.00 178.05 1xyg h LEU 175 N 1.16 1.00 -0.28 2.35 3.38 -1.55 -2.28 115.31 119.09 1xyg h LEU 175 Ca 0.33 -0.40 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 1xyg h LEU 175 Cb -0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.39 1xyg h LEU 175 CO -0.08 1.19 -0.48 -0.07 0.09 0.00 0.00 178.44 179.10 1xyg h LEU 176 N 0.83 0.91 -1.50 1.67 3.38 -0.66 -0.21 115.31 119.73 1xyg h LEU 176 Ca 0.10 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.56 1xyg h LEU 176 Cb 0.84 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1xyg h LEU 176 CO 0.07 1.26 0.35 0.50 0.09 0.00 0.00 178.44 180.71 1xyg h LYS 177 N 0.59 0.65 -0.38 1.13 3.64 -0.92 -0.64 116.57 120.64 1xyg h LYS 177 Ca 0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xyg h LYS 177 Cb 1.08 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1xyg h LYS 177 CO 0.11 0.43 0.00 0.00 -2.27 0.00 0.00 179.45 177.72 1xyg n ALA 178 N -2.46 2.45 -3.39 5.00 0.00 -0.87 -4.93 120.51 116.31 1xyg n ALA 178 Ca 0.05 -0.75 -0.24 0.00 0.00 0.00 0.00 53.44 52.50 1xyg n ALA 178 Cb 0.09 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 18.56 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 0.76 -4.61 0.08 0.00 3.02 -0.25 -4.87 115.26 109.39 1xyg n ASN 179 Ca 0.16 -0.44 0.12 0.00 -0.03 0.00 0.00 54.58 54.38 1xyg n ASN 179 Cb 0.39 -3.76 0.14 0.00 -0.61 0.00 0.00 39.78 35.95 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 -1.33 0.00 -8.21 3.41 3.38 -1.28 -3.44 115.31 107.84 1xyg h LEU 180 Ca -0.49 -0.16 -0.27 0.00 0.09 0.00 0.00 57.88 57.05 1xyg h LEU 180 Cb 1.33 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.87 1xyg h LEU 180 CO 0.57 0.08 -0.73 0.27 0.09 0.00 0.00 178.44 178.72 1xyg s ILE 181 N -3.20 0.58 0.64 1.22 -4.36 -1.25 -1.10 121.20 113.73 1xyg s ILE 181 Ca 0.05 -1.19 -0.12 0.00 -0.26 0.00 0.00 60.65 59.13 1xyg s ILE 181 Cb 0.12 -0.75 -0.02 0.00 1.25 0.00 0.00 42.46 43.06 1xyg s ILE 181 CO 0.73 -0.43 1.04 -0.54 0.24 0.00 0.00 174.94 175.98 1xyg s LYS 182 N -1.85 3.29 -0.04 0.37 1.02 0.31 -4.71 119.74 118.13 1xyg s LYS 182 Ca -0.07 0.94 0.21 0.00 0.02 0.00 0.00 55.97 57.08 1xyg s LYS 182 Cb -0.08 -2.04 0.68 0.00 -0.52 0.00 0.00 37.83 35.87 1xyg s LYS 182 CO -0.00 -0.82 1.58 -2.39 -0.92 0.00 0.00 175.35 172.80 1xyg n HIS 183 N -2.67 1.17 -4.05 3.18 1.44 -1.26 -4.67 115.22 108.36 1xyg n HIS 183 Ca 0.07 -0.53 -0.27 0.00 -2.01 0.00 0.00 57.72 54.98 1xyg n HIS 183 Cb 0.54 -0.08 -0.05 0.00 0.12 0.00 0.00 29.99 30.51 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 -1.29 2.99 -1.47 -1.40 8.01 -1.26 -4.50 118.70 119.77 1xyg s GLU 184 Ca 0.50 -0.78 -0.12 0.00 0.01 0.00 0.00 54.97 54.59 1xyg s GLU 184 Cb 0.28 -2.72 0.06 0.00 -4.31 0.00 0.00 34.13 27.44 1xyg s GLU 184 CO 0.31 0.51 0.99 0.09 0.01 0.00 0.00 175.26 177.17 1xyg n ASN 185 N -0.18 -5.33 -4.60 -0.19 3.02 -1.26 -4.66 115.26 102.06 1xyg n ASN 185 Ca -0.08 -0.65 -0.43 0.00 -0.03 0.00 0.00 54.58 53.40 1xyg n ASN 185 Cb 0.54 -4.25 -0.04 0.00 -0.61 0.00 0.00 39.78 35.42 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 -3.27 4.57 -0.19 2.41 1.01 -1.26 -4.66 121.20 119.81 1xyg s ILE 186 Ca 0.60 1.11 -0.04 0.00 0.00 0.00 0.00 60.65 62.32 1xyg s ILE 186 Cb -0.29 -4.34 -0.02 0.00 0.01 0.00 0.00 42.46 37.81 1xyg s ILE 186 CO 0.74 -0.58 -0.02 -0.63 0.00 0.00 0.00 174.94 174.46 1xyg s ILE 187 N 3.50 3.84 -0.22 2.92 1.01 -0.52 -2.00 121.20 129.73 1xyg s ILE 187 Ca 0.38 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.67 1xyg s ILE 187 Cb -0.12 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.66 1xyg s ILE 187 CO 0.20 0.44 -0.11 -0.63 0.00 0.00 0.00 174.94 174.84 1xyg s ILE 188 N 0.92 2.56 -0.43 2.92 1.01 0.12 -0.35 121.20 127.94 1xyg s ILE 188 Ca 0.01 -1.01 -0.08 0.00 0.00 0.00 0.00 60.65 59.57 1xyg s ILE 188 Cb -0.14 -2.24 0.10 0.00 0.01 0.00 0.00 42.46 40.19 1xyg s ILE 188 CO 0.02 0.31 0.27 -0.62 0.00 0.00 0.00 174.94 174.92 1xyg s ASP 189 N 1.30 5.55 0.17 3.58 -1.08 -0.57 -0.88 116.67 124.74 1xyg s ASP 189 Ca 0.01 -1.78 0.04 0.00 -0.52 0.00 0.00 52.55 50.31 1xyg s ASP 189 Cb -0.16 -1.95 -0.04 0.00 -1.46 0.00 0.00 42.92 39.32 1xyg s ASP 189 CO -0.07 -0.59 0.19 0.00 0.52 0.00 0.00 175.17 175.22 1xyg s ALA 190 N 1.33 3.70 0.01 3.66 0.00 -0.55 -1.57 121.76 128.35 1xyg s ALA 190 Ca 0.05 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.86 1xyg s ALA 190 Cb -0.24 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 1xyg s ALA 190 CO -0.01 0.49 -0.09 0.15 0.00 0.00 0.00 175.76 176.31 1xyg s LYS 191 N -3.22 0.65 -0.02 0.00 3.01 0.90 -0.67 119.74 120.40 1xyg s LYS 191 Ca 0.32 -0.46 -0.09 0.00 -1.01 0.00 0.00 55.97 54.73 1xyg s LYS 191 Cb -0.10 -0.60 0.01 0.00 -1.01 0.00 0.00 37.83 36.13 1xyg s LYS 191 CO 0.25 0.15 0.20 0.45 0.51 0.00 0.00 175.35 176.91 1xyg s SER 192 N -0.64 -0.09 0.68 2.83 0.15 -0.28 -1.25 113.70 115.11 1xyg s SER 192 Ca 0.00 0.01 -0.14 0.00 0.70 0.00 0.00 55.95 56.52 1xyg s SER 192 Cb -0.05 0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.55 1xyg s SER 192 CO 0.00 -0.32 1.11 -0.83 1.20 0.00 0.00 173.24 174.39 1xyg s GLY 193 N -1.04 2.08 0.05 9.45 0.00 0.35 -0.25 107.32 117.97 1xyg s GLY 193 Ca -0.11 0.50 0.14 0.00 0.00 0.00 0.00 44.72 45.25 1xyg s GLY 193 CO 0.02 0.85 1.45 1.55 0.00 0.00 0.00 173.10 176.97 1xyg n VAL 194 N -2.58 1.10 0.30 1.40 3.14 0.25 -2.73 118.33 119.21 1xyg n VAL 194 Ca 0.10 0.29 0.16 0.00 -2.96 0.00 0.00 64.34 61.94 1xyg n VAL 194 Cb 0.52 -1.11 0.95 0.00 -1.06 0.00 0.00 33.84 33.14 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 0.69 6.55 4.64 -1.55 -0.20 113.55 123.68 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 0.20 0.00 1.67 -0.77 0.00 -1.75 -2.16 103.07 100.27 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 -0.03 0.00 0.00 0.00 0.00 176.54 176.52 1xyg n ALA 197 N -1.92 2.48 0.00 3.60 0.00 -0.09 -5.03 120.51 119.56 1xyg n ALA 197 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1xyg n ALA 197 Cb 0.22 -1.46 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 1.38 -0.67 0.89 0.00 0.00 -0.81 -4.56 105.19 101.41 1xyg n GLY 198 Ca 0.11 -1.74 0.10 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.67 2.14 -1.69 1.61 0.63 -1.26 -4.91 116.66 112.51 1xyg n ARG 199 Ca 0.00 -1.75 -0.44 0.00 -0.92 0.00 0.00 57.85 54.74 1xyg n ARG 199 Cb 0.00 -1.43 -0.03 0.00 0.45 0.00 0.00 32.46 31.45 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 1.32 1.11 3.52 5.14 0.00 -1.26 -4.84 105.19 110.17 1xyg n GLY 200 Ca 0.17 0.55 -0.35 0.00 0.00 0.00 0.00 46.02 46.40 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 2.71 2.69 -2.42 4.61 0.00 -1.26 -4.93 120.51 121.91 1xyg n ALA 201 Ca 0.13 -3.38 -0.32 0.00 0.00 0.00 0.00 53.44 49.87 1xyg n ALA 201 Cb 0.32 -3.54 -0.14 0.00 0.00 0.00 0.00 19.45 16.09 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 5.43 2.36 0.23 0.00 -2.85 -1.26 -5.03 119.74 118.62 1xyg s LYS 202 Ca 0.62 -0.78 -0.08 0.00 -1.00 0.00 0.00 55.97 54.73 1xyg s LYS 202 Cb 0.03 -2.26 0.39 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 5.39 0.18 -0.16 1.78 4.81 -2.00 -1.21 114.58 123.38 1xyg h GLU 203 Ca -0.45 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.81 1xyg h GLU 203 Cb 1.14 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1xyg h GLU 203 CO 0.49 0.12 0.18 0.00 -0.73 0.00 0.00 179.01 179.07 1xyg h ALA 204 N 1.60 1.78 -0.62 2.92 0.00 -1.98 -2.42 119.26 120.53 1xyg h ALA 204 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1xyg h ALA 204 Cb 0.63 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1xyg h ALA 204 CO -0.53 -0.26 0.00 0.09 0.00 0.00 0.00 179.25 178.55 1xyg n ASN 205 N -3.82 4.42 -4.76 0.00 3.02 -0.46 -4.40 115.26 109.26 1xyg n ASN 205 Ca 0.01 -2.35 -0.34 0.00 -0.03 0.00 0.00 54.58 51.87 1xyg n ASN 205 Cb 0.30 -0.53 0.05 0.00 -0.61 0.00 0.00 39.78 38.98 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 -1.66 3.45 0.18 3.41 1.43 -0.91 -4.81 118.68 119.77 1xyg s LEU 206 Ca 0.48 2.11 -0.14 0.00 -1.03 0.00 0.00 54.13 55.55 1xyg s LEU 206 Cb 0.30 -4.56 0.15 0.00 0.03 0.00 0.00 46.19 42.11 1xyg s LEU 206 CO 0.25 -1.67 1.73 0.22 0.23 0.00 0.00 176.35 177.11 1xyg h TYR 207 N 0.21 0.21 0.00 0.29 5.03 -1.93 -0.97 116.97 119.80 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 1.26 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 39.51 1xyg h TYR 207 CO 0.52 0.04 -0.03 0.77 -1.32 0.00 0.00 178.16 178.15 1xyg h SER 208 N 0.27 0.00 0.33 -2.11 0.02 -1.94 -0.32 113.55 109.81 1xyg h SER 208 Ca 0.22 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.85 1xyg h SER 208 Cb 0.26 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 1xyg h SER 208 CO -0.26 0.03 -1.90 -0.62 -1.14 0.00 0.00 176.83 172.93 1xyg n GLU 209 N -3.63 0.66 -0.04 3.45 -0.58 -0.69 -4.59 120.64 115.21 1xyg n GLU 209 Ca -0.03 0.24 -0.21 0.00 -0.42 0.00 0.00 57.16 56.74 1xyg n GLU 209 Cb 0.12 -1.73 -0.13 0.00 -0.57 0.00 0.00 31.44 29.13 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 0.95 -3.17 -3.67 1.08 -0.91 -3.48 117.51 108.32 1xyg h ILE 210 Ca -0.36 -2.30 -0.58 0.00 -0.39 0.00 0.00 64.86 61.23 1xyg h ILE 210 Cb 2.05 2.52 0.13 0.00 -3.07 0.00 0.00 36.82 38.45 1xyg h ILE 210 CO 0.07 0.58 0.22 0.00 -0.69 0.00 0.00 178.15 178.33 1xyg n ALA 211 N -3.13 0.38 -3.52 1.87 0.00 -0.16 -3.59 120.51 112.35 1xyg n ALA 211 Ca -0.28 0.22 -0.22 0.00 0.00 0.00 0.00 53.44 53.16 1xyg n ALA 211 Cb 0.82 -2.12 0.08 0.00 0.00 0.00 0.00 19.45 18.23 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 -7.45 0.00 0.00 -0.58 -1.26 -4.98 120.64 106.41 1xyg n GLU 212 Ca 0.09 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.64 1xyg n GLU 212 Cb 0.40 -5.77 0.00 0.00 -0.57 0.00 0.00 31.44 25.50 1xyg n GLU 212 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xyg n GLY 213 N -1.79 0.49 3.28 0.62 0.00 -1.24 -5.13 105.19 101.43 1xyg n GLY 213 Ca -0.05 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 1xyg n GLY 213 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xyg s ILE 214 N -2.00 0.43 -0.09 -0.61 -4.36 -1.26 -3.95 121.20 109.35 1xyg s ILE 214 Ca 0.00 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.10 1xyg s ILE 214 Cb 0.00 -2.55 0.11 0.00 1.25 0.00 0.00 42.46 41.28 1xyg s ILE 214 CO 0.00 -0.05 0.93 -0.94 0.24 0.00 0.00 174.94 175.12 1xyg s SER 215 N -3.26 -0.39 0.68 4.36 1.04 -1.22 -5.01 113.70 109.91 1xyg s SER 215 Ca 0.37 0.26 -0.07 0.00 0.48 0.00 0.00 55.95 56.98 1xyg s SER 215 Cb 0.07 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.59 1xyg s SER 215 CO 0.12 -0.47 1.01 -0.44 0.98 0.00 0.00 173.24 174.43 1xyg s SER 216 N -1.68 5.08 0.07 7.02 0.01 -1.26 -0.27 113.70 122.67 1xyg s SER 216 Ca 0.00 0.64 -0.26 0.00 1.31 0.00 0.00 55.95 57.64 1xyg s SER 216 Cb -0.01 -1.39 0.08 0.00 0.21 0.00 0.00 66.02 64.92 1xyg s SER 216 CO -0.02 -1.45 0.72 -0.72 0.41 0.00 0.00 173.24 172.18 1xyg s TYR 217 N -3.22 -0.48 -1.41 2.43 1.13 -0.86 -4.80 117.35 110.15 1xyg s TYR 217 Ca 0.58 0.40 -0.10 0.00 -1.41 0.00 0.00 57.07 56.54 1xyg s TYR 217 Cb -0.11 0.53 0.02 0.00 -1.10 0.00 0.00 41.96 41.31 1xyg s TYR 217 CO 0.46 -0.70 1.11 0.41 -2.51 0.00 0.00 175.55 174.32 1xyg n GLY 218 N -0.14 -0.54 3.77 5.49 0.00 -1.26 -3.54 105.19 108.97 1xyg n GLY 218 Ca -0.14 0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 3.03 0.00 1.61 1.01 -1.26 -3.84 120.40 117.64 1xyg s VAL 219 Ca 0.58 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1xyg s VAL 219 Cb -0.27 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1xyg s VAL 219 CO 0.72 0.18 0.00 0.41 0.00 0.00 0.00 175.10 176.42 1xyg n THR 220 N 0.61 0.00 -3.91 3.92 -1.04 -1.26 -4.73 114.28 107.87 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 1.56 -0.00 -2.82 0.52 -1.25 -4.90 118.95 112.06 1xyg s ARG 221 Ca 0.00 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 1xyg s ARG 221 Cb 0.00 -1.73 0.00 0.00 0.52 0.00 0.00 34.95 33.74 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 1.67 0.11 0.47 -0.53 2.46 -1.26 -4.69 115.29 113.53 1xyg s HIS 222 Ca 0.04 -0.01 0.22 0.00 0.47 0.00 0.00 55.06 55.78 1xyg s HIS 222 Cb -0.13 -0.09 1.22 0.00 -0.13 0.00 0.00 32.58 33.44 1xyg s HIS 222 CO -0.08 -0.01 1.65 0.00 -2.47 0.00 0.00 174.74 173.83 1xyg h ARG 223 N 6.23 0.00 0.00 2.88 3.08 -1.94 0.81 114.38 125.44 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 0.51 0.00 -0.01 0.45 -1.07 0.00 0.00 179.97 179.85 1xyg h HIS 224 N 0.00 0.00 0.16 3.04 3.86 -1.99 -3.36 115.15 116.86 1xyg h HIS 224 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1xyg h HIS 224 Cb 0.76 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.18 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 -1.24 0.60 116.25 119.71 1xyg h VAL 225 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1xyg h VAL 225 Cb 0.82 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 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 -0.74 0.48 -0.29 1.57 0.13 -1.78 -0.02 132.00 131.35 1xyg h PRO 226 Ca 0.00 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 1xyg h PRO 226 Cb 0.74 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1xyg h PRO 226 CO -0.25 0.32 0.07 1.49 -0.23 0.00 0.00 178.00 179.40 1xyg h GLU 227 N 0.49 0.46 0.04 0.86 4.81 -1.59 -0.40 114.58 119.26 1xyg h GLU 227 Ca 0.20 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1xyg h GLU 227 Cb 0.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1xyg h GLU 227 CO -0.05 0.55 -0.02 0.82 -0.73 0.00 0.00 179.01 179.58 1xyg h ILE 228 N 0.30 1.06 -0.35 2.32 2.04 -0.03 -2.85 117.51 119.99 1xyg h ILE 228 Ca 0.09 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 1xyg h ILE 228 Cb 0.29 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1xyg h ILE 228 CO 0.00 0.07 -0.01 -0.33 0.00 0.00 0.00 178.15 177.88 1xyg h GLU 229 N -0.18 0.55 0.04 2.37 5.08 -1.00 -2.17 114.58 119.27 1xyg h GLU 229 Ca -0.01 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1xyg h GLU 229 Cb 0.16 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1xyg h GLU 229 CO 0.01 0.59 -0.03 0.37 -1.00 0.00 0.00 179.01 178.94 1xyg h GLN 230 N 0.53 -0.07 -0.48 2.33 4.15 -0.97 0.47 115.11 121.06 1xyg h GLN 230 Ca 0.11 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1xyg h GLN 230 Cb 0.36 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1xyg h GLN 230 CO 0.01 -0.05 0.27 0.78 -1.93 0.00 0.00 178.83 177.91 1xyg h GLY 231 N -0.08 0.71 1.05 2.39 0.00 -1.30 -1.57 103.07 104.28 1xyg h GLY 231 Ca 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 1xyg h GLY 231 CO -0.01 0.31 -0.27 1.41 0.00 0.00 0.00 176.54 177.98 1xyg h LEU 232 N 0.64 0.90 -0.86 3.11 3.38 -1.23 -3.08 115.31 118.16 1xyg h LEU 232 Ca 0.17 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1xyg h LEU 232 Cb 0.05 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1xyg h LEU 232 CO -0.03 1.15 0.50 0.28 0.09 0.00 0.00 178.44 180.43 1xyg h SER 233 N 0.66 1.05 -0.95 -0.43 0.02 0.09 -0.33 113.55 113.67 1xyg h SER 233 Ca 0.07 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1xyg h SER 233 Cb 0.85 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.07 1xyg h SER 233 CO 0.07 0.82 0.62 0.44 -1.14 0.00 0.00 176.83 177.65 1xyg h ASP 234 N 1.19 1.06 -0.02 3.07 3.32 -1.24 0.19 116.42 123.99 1xyg h ASP 234 Ca 0.31 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.19 1xyg h ASP 234 Cb -0.02 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.29 1xyg h ASP 234 CO -0.05 0.75 -0.54 0.58 -1.72 0.00 0.00 179.24 178.25 1xyg h VAL 235 N 1.25 1.42 0.00 -1.35 2.07 -1.38 -3.22 116.25 115.04 1xyg h VAL 235 Ca 0.36 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1xyg h VAL 235 Cb -0.08 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1xyg h VAL 235 CO -0.10 0.58 0.00 0.00 0.02 0.00 0.00 177.57 178.08 1xyg n ALA 236 N -2.57 2.01 -3.88 1.67 0.00 -0.17 -4.65 120.51 112.91 1xyg n ALA 236 Ca -0.10 -0.06 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 1xyg n ALA 236 Cb 0.64 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.64 -4.82 -3.54 0.00 6.02 0.65 -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 57.43 1xyg n GLN 237 Cb 0.27 -5.40 -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 -3.21 -0.58 -0.01 1.08 0.15 -1.15 -5.07 113.70 104.92 1xyg s SER 238 Ca 0.65 0.65 -0.30 0.00 0.70 0.00 0.00 55.95 57.64 1xyg s SER 238 Cb -0.33 0.50 -0.06 0.00 -1.71 0.00 0.00 66.02 64.41 1xyg s SER 238 CO 0.79 -0.52 1.61 -0.75 1.20 0.00 0.00 173.24 175.57 1xyg s LYS 239 N -1.12 4.20 -0.19 5.44 2.20 -1.26 -4.38 119.74 124.64 1xyg s LYS 239 Ca -0.08 2.19 -0.07 0.00 -0.36 0.00 0.00 55.97 57.66 1xyg s LYS 239 Cb -0.00 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 1xyg s LYS 239 CO 0.07 -0.77 0.04 0.08 -0.36 0.00 0.00 175.35 174.42 1xyg s VAL 240 N 3.36 4.51 -0.23 4.02 1.01 -1.26 -5.02 120.40 126.79 1xyg s VAL 240 Ca 0.72 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.54 1xyg s VAL 240 Cb -0.35 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.01 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 0.60 3.00 0.44 3.92 2.01 -1.26 -4.76 115.64 119.59 1xyg s THR 241 Ca 0.02 -0.76 0.07 0.00 0.31 0.00 0.00 61.69 61.33 1xyg s THR 241 Cb -0.13 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1xyg s THR 241 CO 0.02 0.35 0.26 0.68 -0.69 0.00 0.00 174.62 175.24 1xyg s VAL 242 N 1.40 2.24 -0.17 3.82 -7.23 -1.26 -4.51 120.40 114.68 1xyg s VAL 242 Ca 0.04 -1.59 -0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1xyg s VAL 242 Cb -0.15 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 33.97 1xyg s VAL 242 CO -0.05 0.00 -0.14 -0.55 -0.31 0.00 0.00 175.10 174.05 1xyg s SER 243 N -4.02 3.69 -0.11 4.85 0.15 -0.85 -5.03 113.70 112.38 1xyg s SER 243 Ca 0.40 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.55 1xyg s SER 243 Cb 0.01 -1.58 0.04 0.00 -1.71 0.00 0.00 66.02 62.77 1xyg s SER 243 CO 0.23 0.05 0.01 0.12 1.20 0.00 0.00 173.24 174.85 1xyg s PHE 244 N 1.04 0.78 -0.23 3.44 5.36 -1.26 0.10 117.98 127.22 1xyg s PHE 244 Ca -0.01 -0.38 0.01 0.00 -0.96 0.00 0.00 56.93 55.59 1xyg s PHE 244 Cb -0.15 -0.88 0.06 0.00 -0.34 0.00 0.00 43.02 41.72 1xyg s PHE 244 CO -0.03 -0.42 -0.07 0.99 -1.46 0.00 0.00 175.22 174.23 1xyg s THR 245 N 1.94 1.62 0.58 0.12 2.01 -0.06 -4.50 115.64 117.34 1xyg s THR 245 Ca 0.03 -1.22 -0.16 0.00 0.31 0.00 0.00 61.69 60.65 1xyg s THR 245 Cb -0.14 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1xyg s THR 245 CO -0.06 -0.04 1.04 -2.84 -0.69 0.00 0.00 174.62 172.03 1xyg s PRO 246 N 1.36 3.44 -0.03 4.92 0.02 -1.23 -1.48 135.00 142.00 1xyg s PRO 246 Ca -0.05 1.15 -0.02 0.00 0.02 0.00 0.00 61.00 62.09 1xyg s PRO 246 Cb -0.18 -2.05 0.02 0.00 0.02 0.00 0.00 34.50 32.30 1xyg s PRO 246 CO -0.06 -0.71 0.07 -1.01 -0.33 0.00 0.00 177.00 174.96 1xyg s HIS 247 N -2.51 -0.07 -0.26 6.54 3.76 0.15 -2.02 115.29 120.89 1xyg s HIS 247 Ca 0.62 0.22 -0.17 0.00 -0.15 0.00 0.00 55.06 55.58 1xyg s HIS 247 Cb -0.15 -0.05 -0.03 0.00 1.11 0.00 0.00 32.58 33.47 1xyg s HIS 247 CO 0.36 -0.07 0.49 -1.17 -0.85 0.00 0.00 174.74 173.50 1xyg s LEU 248 N 0.45 4.06 0.01 0.89 2.96 0.63 -1.12 118.68 126.56 1xyg s LEU 248 Ca -0.03 0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 54.27 1xyg s LEU 248 Cb -0.05 -2.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.97 1xyg s LEU 248 CO -0.02 -0.25 0.33 -0.04 -1.32 0.00 0.00 176.35 175.05 1xyg s MET 249 N 2.18 3.70 -1.43 1.98 -1.94 0.66 -3.45 119.30 121.00 1xyg s MET 249 Ca 0.20 0.12 -0.14 0.00 -1.71 0.00 0.00 55.69 54.15 1xyg s MET 249 Cb -0.16 -3.10 0.04 0.00 2.01 0.00 0.00 34.83 33.62 1xyg s MET 249 CO 0.09 0.65 2.20 -0.35 -0.01 0.00 0.00 175.02 177.60 1xyg n PRO 250 N 1.32 2.82 -3.43 2.03 -0.04 -1.25 -3.45 135.00 133.00 1xyg n PRO 250 Ca -0.12 -2.61 -0.12 0.00 -0.04 0.00 0.00 63.50 60.62 1xyg n PRO 250 Cb 0.53 -3.29 -0.02 0.00 -0.04 0.00 0.00 33.50 30.68 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 3.30 1.25 -0.06 0.54 0.23 -1.26 -4.85 119.30 118.46 1xyg s MET 251 Ca 0.48 -0.46 -0.03 0.00 -1.03 0.00 0.00 55.69 54.64 1xyg s MET 251 Cb 0.14 0.58 -0.02 0.00 -1.53 0.00 0.00 34.83 33.99 1xyg s MET 251 CO -0.08 -0.55 0.17 0.82 -2.03 0.00 0.00 175.02 173.35 1xyg h ILE 252 N 2.00 0.00 -2.18 3.16 2.04 -1.92 0.73 117.51 121.33 1xyg h ILE 252 Ca -0.33 -0.68 -0.53 0.00 1.00 0.00 0.00 64.86 64.32 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 0.37 0.00 -0.59 -0.13 0.00 0.00 0.00 178.15 177.81 1xyg s ARG 253 N -1.87 2.58 0.00 2.37 0.52 -1.26 -1.81 118.95 119.48 1xyg s ARG 253 Ca -0.02 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 53.93 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 0.05 0.36 0.00 0.41 0.02 0.00 0.00 175.30 176.15 1xyg n GLY 254 N -1.04 3.42 3.32 -3.53 0.00 -1.26 -4.59 105.19 101.51 1xyg n GLY 254 Ca -0.07 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 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 -4.95 0.49 -0.01 1.61 0.00 -0.26 -0.50 119.30 115.69 1xyg s MET 255 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 55.69 56.34 1xyg s MET 255 Cb 0.00 0.20 0.01 0.00 0.00 0.00 0.00 34.83 35.04 1xyg s MET 255 CO 0.00 -0.08 0.01 -1.14 0.00 0.00 0.00 175.02 173.81 1xyg s GLN 256 N 0.46 0.01 -0.16 4.11 0.74 -0.38 -1.73 119.66 122.70 1xyg s GLN 256 Ca -0.02 0.06 -0.00 0.00 0.05 0.00 0.00 55.36 55.45 1xyg s GLN 256 Cb -0.04 -0.11 -0.00 0.00 1.10 0.00 0.00 33.01 33.96 1xyg s GLN 256 CO -0.02 -0.06 -0.14 -1.12 -0.55 0.00 0.00 175.29 173.40 1xyg s SER 257 N 0.39 3.74 -0.37 6.67 0.01 -0.37 -0.07 113.70 123.70 1xyg s SER 257 Ca -0.03 -0.46 -0.11 0.00 1.31 0.00 0.00 55.95 56.66 1xyg s SER 257 Cb -0.05 -1.58 0.02 0.00 0.21 0.00 0.00 66.02 64.62 1xyg s SER 257 CO -0.01 0.07 0.21 -0.89 0.41 0.00 0.00 173.24 173.03 1xyg s THR 258 N 0.88 4.63 -0.24 1.44 2.01 -0.61 -1.77 115.64 121.98 1xyg s THR 258 Ca -0.04 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.08 1xyg s THR 258 Cb -0.15 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1xyg s THR 258 CO -0.01 -0.22 0.08 -0.63 -0.69 0.00 0.00 174.62 173.16 1xyg s ILE 259 N 1.57 4.51 -0.38 1.82 1.01 0.16 -1.51 121.20 128.39 1xyg s ILE 259 Ca 0.02 -0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 1xyg s ILE 259 Cb -0.19 -3.10 0.02 0.00 0.01 0.00 0.00 42.46 39.20 1xyg s ILE 259 CO 0.07 0.35 0.23 -0.31 0.00 0.00 0.00 174.94 175.27 1xyg s TYR 260 N 1.42 3.24 0.26 3.97 2.02 0.52 -0.55 117.35 128.23 1xyg s TYR 260 Ca 0.06 -0.80 0.09 0.00 -0.37 0.00 0.00 57.07 56.05 1xyg s TYR 260 Cb -0.15 -2.47 -0.05 0.00 -0.40 0.00 0.00 41.96 38.89 1xyg s TYR 260 CO 0.04 -0.60 -0.13 0.14 -1.57 0.00 0.00 175.55 173.43 1xyg s VAL 261 N 1.60 1.95 -0.23 0.71 -7.23 -0.78 -1.43 120.40 114.99 1xyg s VAL 261 Ca 0.03 -2.24 -0.09 0.00 -1.81 0.00 0.00 61.98 57.88 1xyg s VAL 261 Cb -0.19 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1xyg s VAL 261 CO 0.08 -0.43 0.10 -0.70 -0.31 0.00 0.00 175.10 173.84 1xyg s GLU 262 N -3.63 3.89 0.57 4.82 2.12 -1.26 -0.92 118.70 124.29 1xyg s GLU 262 Ca 0.27 -0.37 -0.16 0.00 0.36 0.00 0.00 54.97 55.08 1xyg s GLU 262 Cb -0.00 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 1xyg s GLU 262 CO 0.11 0.02 1.03 -1.64 -0.54 0.00 0.00 175.26 174.24 1xyg s MET 263 N 1.10 3.55 0.79 4.30 -1.94 0.11 -0.53 119.30 126.68 1xyg s MET 263 Ca 0.05 1.09 -0.11 0.00 -1.71 0.00 0.00 55.69 55.01 1xyg s MET 263 Cb -0.14 -2.07 0.07 0.00 2.01 0.00 0.00 34.83 34.70 1xyg s MET 263 CO 0.04 -0.61 1.09 0.00 -0.01 0.00 0.00 175.02 175.53 1xyg s ALA 264 N -2.56 2.14 0.16 3.03 0.00 -0.26 -4.51 121.76 119.77 1xyg s ALA 264 Ca 0.61 0.15 -0.34 0.00 0.00 0.00 0.00 51.96 52.39 1xyg s ALA 264 Cb -0.13 -3.24 -0.15 0.00 0.00 0.00 0.00 23.12 19.60 1xyg s ALA 264 CO 0.36 -1.84 1.47 -2.30 0.00 0.00 0.00 175.76 173.45 1xyg n PRO 265 N -3.56 1.85 0.00 0.00 -0.02 -1.26 -1.18 135.00 130.84 1xyg n PRO 265 Ca 0.08 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1xyg n PRO 265 Cb 0.54 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 2.92 2.88 3.75 -1.23 0.00 -1.26 -5.01 105.19 107.25 1xyg n GLY 266 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.19 4.04 0.33 1.61 1.01 -0.32 -5.07 120.40 119.80 1xyg s VAL 267 Ca 0.00 2.04 0.10 0.00 0.00 0.00 0.00 61.98 64.12 1xyg s VAL 267 Cb 0.00 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 1xyg s VAL 267 CO 0.00 0.47 -0.09 -0.13 0.00 0.00 0.00 175.10 175.35 1xyg s ARG 268 N -1.24 1.87 0.41 2.72 0.52 -1.26 -4.76 118.95 117.20 1xyg s ARG 268 Ca 0.42 -1.85 0.12 0.00 -0.52 0.00 0.00 55.73 53.90 1xyg s ARG 268 Cb -0.26 -1.78 0.97 0.00 0.52 0.00 0.00 34.95 34.39 1xyg s ARG 268 CO 0.32 0.18 1.95 1.79 0.02 0.00 0.00 175.30 179.56 1xyg h THR 269 N 2.02 0.88 -0.74 0.02 1.35 -1.94 -0.44 112.91 114.07 1xyg h THR 269 Ca -0.42 -0.17 0.07 0.00 -0.55 0.00 0.00 66.41 65.34 1xyg h THR 269 Cb 1.25 0.34 -0.05 0.00 -1.73 0.00 0.00 68.15 67.97 1xyg h THR 269 CO 0.67 0.09 0.48 -0.33 -0.25 0.00 0.00 175.52 176.19 1xyg h GLU 270 N 0.50 0.74 -0.39 4.72 3.07 -1.98 -0.95 114.58 120.28 1xyg h GLU 270 Ca 0.32 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 59.04 1xyg h GLU 270 Cb 0.59 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1xyg h GLU 270 CO -0.10 0.49 -0.13 -0.44 -1.40 0.00 0.00 179.01 177.42 1xyg h ASP 271 N 0.76 0.80 -0.51 1.42 3.32 -1.48 -1.02 116.42 119.71 1xyg h ASP 271 Ca 0.32 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1xyg h ASP 271 Cb 0.28 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1xyg h ASP 271 CO -0.11 1.00 0.27 -0.07 -1.72 0.00 0.00 179.24 178.61 1xyg h LEU 272 N 0.60 0.65 -0.29 1.55 3.38 -1.24 -1.24 115.31 118.72 1xyg h LEU 272 Ca 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xyg h LEU 272 Cb 0.67 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1xyg h LEU 272 CO 0.05 0.57 0.19 -0.74 0.09 0.00 0.00 178.44 178.59 1xyg h HIS 273 N 0.69 0.35 -0.69 1.13 2.76 -1.04 -1.63 115.15 116.71 1xyg h HIS 273 Ca 0.18 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 1xyg h HIS 273 Cb 0.07 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 1xyg h HIS 273 CO -0.01 0.22 0.32 0.37 -1.30 0.00 0.00 177.93 177.52 1xyg h GLN 274 N 0.38 1.01 -0.61 5.26 5.75 -0.96 0.10 115.11 126.04 1xyg h GLN 274 Ca 0.11 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1xyg h GLN 274 Cb -0.04 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 1xyg h GLN 274 CO -0.03 0.80 0.32 0.37 -2.65 0.00 0.00 178.83 177.64 1xyg h GLN 275 N 0.97 0.87 -0.39 1.69 5.75 -0.98 0.18 115.11 123.20 1xyg h GLN 275 Ca 0.24 -0.11 -0.11 0.00 -0.15 0.00 0.00 58.65 58.52 1xyg h GLN 275 Cb 0.14 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1xyg h GLN 275 CO -0.03 0.68 -0.18 -0.07 -2.65 0.00 0.00 178.83 176.58 1xyg h LEU 276 N 0.84 0.83 -0.90 -2.39 3.38 -0.97 0.28 115.31 116.38 1xyg h LEU 276 Ca 0.21 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1xyg h LEU 276 Cb 0.07 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1xyg h LEU 276 CO -0.03 1.04 0.53 0.50 0.09 0.00 0.00 178.44 180.57 1xyg h LYS 277 N 0.61 1.23 -0.09 1.13 1.63 -0.52 -2.05 116.57 118.51 1xyg h LYS 277 Ca 0.09 -0.12 -0.05 0.00 -0.85 0.00 0.00 60.65 59.72 1xyg h LYS 277 Cb 0.72 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1xyg h LYS 277 CO 0.05 0.87 -0.14 1.15 -3.45 0.00 0.00 179.45 177.93 1xyg h THR 278 N 1.24 1.39 0.00 1.00 2.02 -0.81 -1.05 112.91 116.71 1xyg h THR 278 Ca 0.32 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 1xyg h THR 278 Cb -0.03 2.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1xyg h THR 278 CO -0.06 0.39 -0.03 0.28 0.37 0.00 0.00 175.52 176.47 1xyg h SER 279 N -0.19 0.00 0.00 4.18 0.02 -0.75 -3.19 113.55 113.62 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 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1xyg h SER 279 CO 0.03 0.03 -0.01 -1.22 -1.14 0.00 0.00 176.83 174.52 1xyg n TYR 280 N -4.28 0.00 -0.27 3.45 4.01 -0.79 -4.82 117.16 114.46 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 0.12 -0.06 0.43 0.00 -0.31 0.00 0.00 39.34 39.51 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 0.56 -0.56 -0.72 4.11 -1.17 -1.39 114.58 115.41 1xyg h GLU 281 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1xyg h GLU 281 Cb 0.65 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1xyg h GLU 281 CO 0.00 0.37 0.00 -0.25 0.07 0.00 0.00 179.01 179.20 1xyg n ASP 282 N -4.57 4.17 -4.63 3.06 8.00 -1.26 -4.94 116.55 116.38 1xyg n ASP 282 Ca 0.19 -2.35 -0.41 0.00 0.71 0.00 0.00 54.79 52.93 1xyg n ASP 282 Cb 0.58 -0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.65 4.14 0.11 -1.24 0.41 -0.53 -4.97 118.70 114.97 1xyg s GLU 283 Ca 0.44 0.64 -0.21 0.00 -0.41 0.00 0.00 54.97 55.42 1xyg s GLU 283 Cb 0.28 -3.64 -0.11 0.00 -1.78 0.00 0.00 34.13 28.88 1xyg s GLU 283 CO 0.23 -0.41 1.76 1.49 -0.49 0.00 0.00 175.26 177.84 1xyg h GLU 284 N 7.79 0.13 -0.00 1.61 4.57 -1.92 -3.28 114.58 123.48 1xyg h GLU 284 Ca -0.27 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1xyg h GLU 284 Cb 1.12 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1xyg h GLU 284 CO 0.79 0.09 -0.24 1.19 -1.18 0.00 0.00 179.01 179.66 1xyg n PHE 285 N -5.02 0.00 -4.05 0.92 3.72 -1.26 -4.74 117.46 107.04 1xyg n PHE 285 Ca -0.05 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.02 1xyg n PHE 285 Cb 0.03 -0.22 -0.15 0.00 -0.94 0.00 0.00 39.48 38.20 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 -2.68 2.32 -0.17 -4.37 1.01 -1.24 -0.25 120.40 115.03 1xyg s VAL 286 Ca 0.21 -1.46 -0.04 0.00 0.00 0.00 0.00 61.98 60.69 1xyg s VAL 286 Cb 0.19 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1xyg s VAL 286 CO 0.55 0.06 -0.02 -0.54 0.00 0.00 0.00 175.10 175.14 1xyg s LYS 287 N 1.16 3.68 -0.33 2.72 -0.14 0.57 -4.70 119.74 122.70 1xyg s LYS 287 Ca -0.06 -0.51 -0.12 0.00 -1.36 0.00 0.00 55.97 53.92 1xyg s LYS 287 Cb -0.19 -2.96 -0.01 0.00 -1.68 0.00 0.00 37.83 32.98 1xyg s LYS 287 CO -0.05 0.20 0.22 0.08 -0.76 0.00 0.00 175.35 175.03 1xyg s VAL 288 N 0.49 5.11 0.76 3.17 1.01 -1.26 -1.22 120.40 128.46 1xyg s VAL 288 Ca -0.03 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 1xyg s VAL 288 Cb -0.14 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.66 1xyg s VAL 288 CO 0.03 0.00 1.10 -0.76 0.00 0.00 0.00 175.10 175.46 1xyg s LEU 289 N 1.69 2.71 0.51 3.92 1.43 -0.13 -4.97 118.68 123.84 1xyg s LEU 289 Ca 0.06 1.25 -0.21 0.00 -1.03 0.00 0.00 54.13 54.20 1xyg s LEU 289 Cb -0.17 -3.94 -0.06 0.00 0.03 0.00 0.00 46.19 42.05 1xyg s LEU 289 CO 0.09 -1.75 1.17 -1.81 0.23 0.00 0.00 176.35 174.29 1xyg s ASP 290 N -4.06 5.85 0.20 2.29 1.01 -1.26 -4.80 116.67 115.90 1xyg s ASP 290 Ca 0.60 2.30 -0.32 0.00 0.71 0.00 0.00 52.55 55.84 1xyg s ASP 290 Cb -0.13 -2.60 -0.15 0.00 1.01 0.00 0.00 42.92 41.05 1xyg s ASP 290 CO 0.53 -1.14 1.19 -0.62 0.21 0.00 0.00 175.17 175.35 1xyg n GLU 291 N -0.92 1.37 0.00 8.23 1.02 -1.26 -1.36 120.64 127.71 1xyg n GLU 291 Ca 0.10 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1xyg n GLU 291 Cb 0.49 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 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 1.95 3.18 3.71 0.62 0.00 -1.25 -5.02 105.19 108.38 1xyg n GLY 292 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.03 4.62 -0.26 1.61 1.01 -0.47 -5.02 120.40 119.87 1xyg s VAL 293 Ca 0.00 1.90 -0.16 0.00 0.00 0.00 0.00 61.98 63.72 1xyg s VAL 293 Cb 0.00 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1xyg s VAL 293 CO 0.00 0.16 0.43 -0.69 0.00 0.00 0.00 175.10 175.00 1xyg s VAL 294 N 0.94 5.13 0.72 2.92 1.01 -1.26 -4.78 120.40 125.08 1xyg s VAL 294 Ca 0.53 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 63.11 1xyg s VAL 294 Cb -0.23 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1xyg s VAL 294 CO 0.29 0.13 1.07 -2.16 0.00 0.00 0.00 175.10 174.43 1xyg s PRO 295 N 2.12 2.70 -0.03 2.72 0.04 -1.26 -5.07 135.00 136.22 1xyg s PRO 295 Ca 0.18 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.28 1xyg s PRO 295 Cb -0.16 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.43 1xyg s PRO 295 CO 0.09 -1.29 -0.08 1.03 0.04 0.00 0.00 177.00 176.80 1xyg s ARG 296 N -4.95 0.91 0.55 4.56 0.52 -1.26 -5.01 118.95 114.27 1xyg s ARG 296 Ca 0.59 -0.26 0.23 0.00 -0.52 0.00 0.00 55.73 55.78 1xyg s ARG 296 Cb -0.15 -0.86 1.54 0.00 0.52 0.00 0.00 34.95 36.00 1xyg s ARG 296 CO 0.55 0.07 2.19 1.79 0.02 0.00 0.00 175.30 179.92 1xyg h THR 297 N 5.53 0.75 -0.62 0.02 1.35 -1.93 -0.70 112.91 117.31 1xyg h THR 297 Ca -0.34 -0.07 0.08 0.00 -0.55 0.00 0.00 66.41 65.53 1xyg h THR 297 Cb 1.17 1.04 -0.04 0.00 -1.73 0.00 0.00 68.15 68.59 1xyg h THR 297 CO 0.49 0.02 0.41 0.45 -0.25 0.00 0.00 175.52 176.64 1xyg h HIS 298 N 0.00 0.53 0.00 4.73 3.86 -1.95 -2.43 115.15 119.89 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 0.04 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.34 1xyg h HIS 298 CO 0.00 0.26 0.00 0.09 0.86 0.00 0.00 177.93 179.14 1xyg n ASN 299 N -4.48 0.32 0.00 2.45 3.02 -0.27 -3.15 115.26 113.15 1xyg n ASN 299 Ca 0.10 0.56 0.00 0.00 -0.03 0.00 0.00 54.58 55.21 1xyg n ASN 299 Cb 0.31 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 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 -1.83 0.01 -1.68 2.41 0.24 -0.95 -4.71 118.33 111.82 1xyg n VAL 300 Ca 0.04 -0.50 -0.52 0.00 -2.04 0.00 0.00 64.34 61.32 1xyg n VAL 300 Cb 0.25 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.57 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 -0.01 1.57 -1.05 7.34 0.63 -1.01 -1.29 116.66 122.85 1xyg n ARG 301 Ca 0.00 0.57 -0.02 0.00 -0.92 0.00 0.00 57.85 57.49 1xyg n ARG 301 Cb 0.01 -2.30 -0.01 0.00 0.45 0.00 0.00 32.46 30.61 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 3.84 0.52 3.41 5.14 0.00 -1.26 -0.76 105.19 116.09 1xyg n GLY 302 Ca 0.23 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.60 2.07 -0.12 1.61 1.04 -0.41 -4.66 113.70 110.62 1xyg s SER 303 Ca 0.00 -1.56 0.17 0.00 0.48 0.00 0.00 55.95 55.04 1xyg s SER 303 Cb 0.00 0.34 0.72 0.00 0.10 0.00 0.00 66.02 67.18 1xyg s SER 303 CO 0.00 -0.85 1.62 -3.20 0.98 0.00 0.00 173.24 171.79 1xyg n ASN 304 N -1.00 4.77 -4.88 7.02 5.15 -1.26 -4.13 115.26 120.93 1xyg n ASN 304 Ca -0.02 -2.49 -0.30 0.00 -0.60 0.00 0.00 54.58 51.17 1xyg n ASN 304 Cb 0.65 -0.59 -0.04 0.00 -0.53 0.00 0.00 39.78 39.28 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 -1.95 3.46 -0.09 1.20 2.02 -1.26 -4.55 117.35 116.18 1xyg s TYR 305 Ca 0.50 0.98 0.01 0.00 -0.37 0.00 0.00 57.07 58.20 1xyg s TYR 305 Cb 0.33 -2.38 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 1xyg s TYR 305 CO 0.23 -0.02 -0.10 0.00 -1.57 0.00 0.00 175.55 174.10 1xyg s HIS 307 N 1.17 2.82 0.06 0.00 3.76 -0.86 -0.32 115.29 121.92 1xyg s HIS 307 Ca -0.05 -0.32 0.02 0.00 -0.15 0.00 0.00 55.06 54.56 1xyg s HIS 307 Cb -0.14 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.76 1xyg s HIS 307 CO -0.02 0.04 -0.07 0.00 -0.85 0.00 0.00 174.74 173.84 1xyg s MET 308 N -0.23 0.62 0.01 1.40 0.23 -0.36 -1.13 119.30 119.84 1xyg s MET 308 Ca 0.02 -0.96 -0.13 0.00 -1.03 0.00 0.00 55.69 53.58 1xyg s MET 308 Cb -0.13 -0.20 0.02 0.00 -1.53 0.00 0.00 34.83 32.99 1xyg s MET 308 CO 0.03 0.01 0.28 0.45 -2.03 0.00 0.00 175.02 173.76 1xyg s SER 309 N -2.14 -0.13 -0.04 -1.18 0.15 -0.45 -0.96 113.70 108.96 1xyg s SER 309 Ca -0.02 -0.07 0.05 0.00 0.70 0.00 0.00 55.95 56.61 1xyg s SER 309 Cb -0.04 0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 64.56 1xyg s SER 309 CO -0.02 -0.50 -0.17 -0.69 1.20 0.00 0.00 173.24 173.06 1xyg s VAL 310 N -1.83 2.86 0.05 4.45 1.01 -1.26 -1.50 120.40 124.18 1xyg s VAL 310 Ca -0.10 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1xyg s VAL 310 Cb -0.04 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1xyg s VAL 310 CO 0.01 0.58 -0.05 -0.36 0.00 0.00 0.00 175.10 175.28 1xyg s PHE 311 N -0.71 0.54 0.40 5.22 0.40 0.11 -3.97 117.98 119.96 1xyg s PHE 311 Ca 0.11 -0.70 -0.23 0.00 -0.60 0.00 0.00 56.93 55.51 1xyg s PHE 311 Cb -0.10 -0.35 -0.10 0.00 0.51 0.00 0.00 43.02 42.97 1xyg s PHE 311 CO 0.00 -0.19 0.96 -1.25 0.70 0.00 0.00 175.22 175.44 1xyg s PRO 312 N -2.43 4.29 0.20 0.24 0.04 -1.26 0.45 135.00 136.53 1xyg s PRO 312 Ca -0.05 1.23 -0.06 0.00 0.04 0.00 0.00 61.00 62.16 1xyg s PRO 312 Cb -0.04 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 1xyg s PRO 312 CO -0.03 0.02 0.47 0.34 0.04 0.00 0.00 177.00 177.84 1xyg s ASP 313 N -1.95 6.53 0.42 6.66 -1.08 -0.60 -4.62 116.67 122.02 1xyg s ASP 313 Ca 0.59 0.72 0.11 0.00 -0.52 0.00 0.00 52.55 53.44 1xyg s ASP 313 Cb -0.13 -2.14 0.91 0.00 -1.46 0.00 0.00 42.92 40.09 1xyg s ASP 313 CO 0.18 -0.04 2.00 -0.09 0.52 0.00 0.00 175.17 177.74 1xyg h ARG 314 N 2.48 0.24 -6.26 4.34 2.43 -1.96 -3.40 114.38 112.25 1xyg h ARG 314 Ca -0.47 -0.04 -0.57 0.00 -0.81 0.00 0.00 59.98 58.10 1xyg h ARG 314 Cb 1.17 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.63 1xyg h ARG 314 CO 0.70 0.28 0.94 0.42 -1.51 0.00 0.00 179.97 180.80 1xyg s ILE 315 N -4.96 4.22 0.21 1.20 1.01 -1.26 -4.96 121.20 116.66 1xyg s ILE 315 Ca -0.06 1.42 -0.32 0.00 0.00 0.00 0.00 60.65 61.69 1xyg s ILE 315 Cb 0.16 -4.10 -0.14 0.00 0.01 0.00 0.00 42.46 38.38 1xyg s ILE 315 CO 0.72 -0.33 1.31 -0.81 0.00 0.00 0.00 174.94 175.83 1xyg n PRO 316 N 7.00 1.66 0.00 2.79 -0.04 -1.26 -1.72 135.00 143.43 1xyg n PRO 316 Ca 0.14 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 1xyg n PRO 316 Cb 0.46 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 1xyg n PRO 316 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xyg n GLY 317 N 2.14 1.38 3.79 0.55 0.00 -1.26 -5.04 105.19 106.75 1xyg n GLY 317 Ca 0.13 0.00 -0.26 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 -0.62 2.87 0.10 1.61 0.52 -0.70 0.07 118.95 122.80 1xyg s ARG 318 Ca 0.00 -0.92 0.02 0.00 -0.52 0.00 0.00 55.73 54.31 1xyg s ARG 318 Cb 0.00 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 1xyg s ARG 318 CO 0.00 0.47 -0.07 0.00 0.02 0.00 0.00 175.30 175.72 1xyg s ALA 319 N -1.81 1.00 -0.10 2.13 0.00 -0.10 -1.56 121.76 121.31 1xyg s ALA 319 Ca 0.31 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1xyg s ALA 319 Cb -0.10 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.18 1xyg s ALA 319 CO 0.23 -0.22 -0.19 0.42 0.00 0.00 0.00 175.76 176.00 1xyg s ILE 320 N -3.56 1.75 -0.12 0.00 1.01 0.17 -1.86 121.20 118.59 1xyg s ILE 320 Ca 0.12 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.97 1xyg s ILE 320 Cb 0.05 -1.54 -0.00 0.00 0.01 0.00 0.00 42.46 40.97 1xyg s ILE 320 CO -0.04 0.49 -0.21 -0.63 0.00 0.00 0.00 174.94 174.55 1xyg s ILE 321 N 0.60 2.33 -0.13 2.92 1.01 0.29 0.04 121.20 128.25 1xyg s ILE 321 Ca -0.14 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.59 1xyg s ILE 321 Cb -0.17 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 1xyg s ILE 321 CO 0.04 0.55 -0.10 -0.63 0.00 0.00 0.00 174.94 174.80 1xyg s ILE 322 N 0.47 3.30 -0.06 2.92 1.01 -0.56 0.41 121.20 128.69 1xyg s ILE 322 Ca -0.14 -0.58 -0.00 0.00 0.00 0.00 0.00 60.65 59.93 1xyg s ILE 322 Cb -0.17 -2.40 0.03 0.00 0.01 0.00 0.00 42.46 39.93 1xyg s ILE 322 CO 0.06 0.52 -0.02 -0.55 0.00 0.00 0.00 174.94 174.95 1xyg s SER 323 N 0.25 1.22 0.11 3.58 0.15 -0.73 -1.34 113.70 116.94 1xyg s SER 323 Ca -0.07 -0.10 0.07 0.00 0.70 0.00 0.00 55.95 56.55 1xyg s SER 323 Cb -0.15 -0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 63.70 1xyg s SER 323 CO 0.05 -0.13 -0.16 0.68 1.20 0.00 0.00 173.24 174.87 1xyg s VAL 324 N 1.48 1.41 0.32 4.45 -7.23 -0.28 -1.24 120.40 119.31 1xyg s VAL 324 Ca -0.03 -1.57 -0.14 0.00 -1.81 0.00 0.00 61.98 58.44 1xyg s VAL 324 Cb -0.13 -1.43 0.02 0.00 0.56 0.00 0.00 36.38 35.40 1xyg s VAL 324 CO -0.03 -0.26 0.64 0.27 -0.31 0.00 0.00 175.10 175.42 1xyg s ILE 325 N -1.61 0.00 -0.35 -0.62 -4.36 -0.71 -2.04 121.20 111.52 1xyg s ILE 325 Ca 0.06 -1.21 -0.17 0.00 -0.26 0.00 0.00 60.65 59.07 1xyg s ILE 325 Cb -0.08 -2.45 -0.01 0.00 1.25 0.00 0.00 42.46 41.18 1xyg s ILE 325 CO 0.03 0.00 0.47 -0.62 0.24 0.00 0.00 174.94 175.06 1xyg s ASP 326 N -3.05 6.28 0.55 4.36 -1.08 -1.26 -1.10 116.67 121.37 1xyg s ASP 326 Ca 0.19 -0.09 0.27 0.00 -0.52 0.00 0.00 52.55 52.40 1xyg s ASP 326 Cb -0.03 -2.25 1.46 0.00 -1.46 0.00 0.00 42.92 40.63 1xyg s ASP 326 CO 0.11 -0.44 1.98 -0.55 0.52 0.00 0.00 175.17 176.79 1xyg h ASN 327 N 8.46 0.00 1.49 -0.34 -1.07 -1.91 -1.31 115.58 120.90 1xyg h ASN 327 Ca -0.28 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.08 1xyg h ASN 327 Cb 1.13 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.38 1xyg h ASN 327 CO 0.75 0.00 -0.51 -0.07 0.07 0.00 0.00 177.43 177.67 1xyg h LEU 328 N 0.00 0.00 0.00 6.14 3.38 -1.92 -3.05 115.31 119.86 1xyg h LEU 328 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1xyg h LEU 328 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1xyg h LEU 328 CO -0.00 0.04 0.00 0.52 0.09 0.00 0.00 178.44 179.09 1xyg n VAL 329 N -2.91 0.00 0.30 1.22 0.31 -0.52 -2.14 118.33 114.59 1xyg n VAL 329 Ca 0.02 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.53 1xyg n VAL 329 Cb 0.56 -0.67 0.87 0.00 -0.91 0.00 0.00 33.84 33.68 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 0.68 116.57 122.75 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 -0.25 0.41 -3.45 0.00 0.00 179.45 176.16 1xyg n GLY 331 N -0.53 -1.02 0.00 5.01 0.00 -1.03 -4.35 105.19 103.27 1xyg n GLY 331 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.10 0.00 0.08 4.61 0.00 0.05 -2.71 120.51 121.44 1xyg n ALA 332 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.61 1xyg n ALA 332 Cb 0.32 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.28 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 0.29 -0.28 0.00 0.02 -1.37 -1.27 113.55 110.94 1xyg h SER 333 Ca 0.00 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1xyg h SER 333 Cb 0.00 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1xyg h SER 333 CO 0.00 0.20 -0.01 1.23 -1.14 0.00 0.00 176.83 177.11 1xyg h GLY 334 N 0.33 0.54 1.54 -3.77 0.00 0.14 -1.79 103.07 100.06 1xyg h GLY 334 Ca 0.11 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 1xyg h GLY 334 CO -0.02 0.37 -0.29 -1.61 0.00 0.00 0.00 176.54 174.99 1xyg h GLN 335 N 0.28 0.53 -0.39 4.80 4.15 -0.98 -0.79 115.11 122.70 1xyg h GLN 335 Ca 0.08 -0.22 0.02 0.00 0.77 0.00 0.00 58.65 59.30 1xyg h GLN 335 Cb 0.45 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 1xyg h GLN 335 CO 0.02 0.77 0.21 0.00 -1.93 0.00 0.00 178.83 177.89 1xyg h ALA 336 N 1.23 0.49 -0.39 3.38 0.00 -1.07 0.66 119.26 123.56 1xyg h ALA 336 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1xyg h ALA 336 Cb 0.74 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1xyg h ALA 336 CO 0.06 -0.14 -0.24 1.25 0.00 0.00 0.00 179.25 180.18 1xyg h LEU 337 N 0.43 0.80 -0.99 0.00 5.85 -1.12 -1.23 115.31 119.05 1xyg h LEU 337 Ca 0.16 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1xyg h LEU 337 Cb 0.04 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 1xyg h LEU 337 CO -0.10 1.01 0.64 -0.61 -0.34 0.00 0.00 178.44 179.04 1xyg h GLN 338 N 0.68 1.14 -0.13 1.25 4.15 -0.33 0.18 115.11 122.05 1xyg h GLN 338 Ca 0.09 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 1xyg h GLN 338 Cb 0.76 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1xyg h GLN 338 CO 0.06 0.76 -0.31 -0.91 -1.93 0.00 0.00 178.83 176.50 1xyg h ASN 339 N 1.18 0.50 -0.42 -0.69 2.35 -0.54 -3.22 115.58 114.74 1xyg h ASN 339 Ca 0.42 -0.57 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 1xyg h ASN 339 Cb 0.12 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1xyg h ASN 339 CO -0.16 0.98 0.16 0.25 -1.65 0.00 0.00 177.43 177.01 1xyg h LEU 340 N 0.04 0.64 0.17 1.61 5.85 -0.78 -1.76 115.31 121.08 1xyg h LEU 340 Ca -0.00 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1xyg h LEU 340 Cb 0.91 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1xyg h LEU 340 CO 0.07 0.61 -0.48 0.78 -0.34 0.00 0.00 178.44 179.08 1xyg h ASN 341 N 0.69 -1.42 0.61 1.25 2.35 -0.98 -1.22 115.58 116.86 1xyg h ASN 341 Ca 0.16 0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 56.00 1xyg h ASN 341 Cb 0.20 0.52 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1xyg h ASN 341 CO -0.01 -0.54 -0.27 0.16 -1.65 0.00 0.00 177.43 175.11 1xyg h ILE 342 N -0.74 0.82 -0.02 2.81 3.07 -1.57 0.34 117.51 122.22 1xyg h ILE 342 Ca -0.00 -1.11 -0.08 0.00 1.55 0.00 0.00 64.86 65.22 1xyg h ILE 342 Cb 0.74 1.67 -0.01 0.00 -0.27 0.00 0.00 36.82 38.96 1xyg h ILE 342 CO -0.24 0.27 -0.36 0.24 -1.05 0.00 0.00 178.15 177.00 1xyg h MET 343 N 0.00 0.04 -0.46 0.16 2.86 -0.76 -2.36 114.93 114.42 1xyg h MET 343 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1xyg h MET 343 Cb 0.65 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1xyg h MET 343 CO 0.04 0.40 0.00 1.28 1.06 0.00 0.00 176.91 179.69 1xyg n LEU 344 N -4.10 3.20 0.00 1.22 4.32 -0.51 -4.92 117.00 116.22 1xyg n LEU 344 Ca -0.02 -1.47 0.00 0.00 -0.02 0.00 0.00 56.01 54.50 1xyg n LEU 344 Cb 0.41 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 1xyg n LEU 344 CO 0.39 0.73 0.00 0.61 -1.22 0.00 0.00 177.39 177.91 1xyg n GLY 345 N 1.46 0.45 3.97 -0.72 0.00 -0.89 -5.05 105.19 104.41 1xyg n GLY 345 Ca 0.20 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 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 3.31 0.26 1.61 1.51 0.07 -4.98 117.35 117.13 1xyg s TYR 346 Ca 0.00 -0.00 -0.31 0.00 -1.01 0.00 0.00 57.07 55.75 1xyg s TYR 346 Cb 0.00 -1.87 -0.13 0.00 -0.11 0.00 0.00 41.96 39.85 1xyg s TYR 346 CO 0.00 0.12 1.51 -2.30 -1.11 0.00 0.00 175.55 173.77 1xyg n PRO 347 N -1.64 2.38 -0.33 -1.71 -0.02 -1.26 -3.68 135.00 128.74 1xyg n PRO 347 Ca -0.04 0.85 0.10 0.00 -2.02 0.00 0.00 63.50 62.39 1xyg n PRO 347 Cb 0.57 -2.57 0.28 0.00 -0.02 0.00 0.00 33.50 31.76 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 4.61 0.71 -0.01 -0.52 4.81 -1.89 -1.76 114.58 120.53 1xyg h GLU 348 Ca -0.46 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1xyg h GLU 348 Cb 1.25 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1xyg h GLU 348 CO 0.78 0.47 0.00 0.25 -0.73 0.00 0.00 179.01 179.78 1xyg n THR 349 N -4.80 0.01 -1.68 0.32 -2.24 -1.26 -4.68 114.28 99.96 1xyg n THR 349 Ca 0.21 -0.07 -0.50 0.00 -2.27 0.00 0.00 64.05 61.42 1xyg n THR 349 Cb 0.50 -0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.65 0.38 -1.80 4.28 -1.04 -0.66 -1.21 114.28 113.59 1xyg n THR 350 Ca 0.21 -0.07 -0.18 0.00 -2.04 0.00 0.00 64.05 61.98 1xyg n THR 350 Cb 0.17 -1.63 -0.05 0.00 -1.82 0.00 0.00 70.33 67.00 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 4.05 1.03 0.31 3.41 0.00 -1.26 -4.86 105.19 107.88 1xyg n GLY 351 Ca 0.22 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.21 1.24 -1.57 0.99 4.77 -0.35 -4.81 117.00 115.07 1xyg n LEU 352 Ca -0.19 -2.11 0.06 0.00 -0.03 0.00 0.00 56.01 53.74 1xyg n LEU 352 Cb 0.61 -0.22 0.32 0.00 -2.33 0.00 0.00 43.42 41.80 1xyg n LEU 352 CO 0.26 0.51 0.76 0.18 -1.33 0.00 0.00 177.39 177.77 1xyg n LEU 353 N -0.72 4.64 -4.70 2.23 4.77 -1.25 -4.63 117.00 117.34 1xyg n LEU 353 Ca 0.08 -2.35 -0.43 0.00 -0.03 0.00 0.00 56.01 53.28 1xyg n LEU 353 Cb 0.68 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1xyg n LEU 353 CO 0.00 0.60 1.13 1.41 -1.33 0.00 0.00 177.39 179.20 1xyg n HIS 354 N 0.63 2.47 -3.30 -1.77 8.25 -1.26 -4.96 115.22 115.27 1xyg n HIS 354 Ca 0.22 0.34 -0.31 0.00 -0.26 0.00 0.00 57.72 57.71 1xyg n HIS 354 Cb 0.95 -2.53 -0.05 0.00 1.12 0.00 0.00 29.99 29.48 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 -0.34 3.79 0.27 -0.41 -1.52 -1.26 -4.51 119.66 115.67 1xyg s GLN 355 Ca 0.67 0.29 -0.29 0.00 -1.95 0.00 0.00 55.36 54.08 1xyg s GLN 355 Cb -0.58 -2.59 -0.14 0.00 -0.22 0.00 0.00 33.01 29.47 1xyg s GLN 355 CO 0.48 0.24 1.06 -2.30 -0.25 0.00 0.00 175.29 174.52 1xyg n PRO 356 N -0.44 1.35 -3.05 2.91 -0.02 -1.26 -4.72 135.00 129.77 1xyg n PRO 356 Ca 0.01 0.47 -0.45 0.00 -2.02 0.00 0.00 63.50 61.52 1xyg n PRO 356 Cb 0.53 -1.88 -0.02 0.00 -0.02 0.00 0.00 33.50 32.11 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 0.48 5.50 -0.03 2.45 2.96 0.06 -4.97 118.68 125.13 1xyg s LEU 357 Ca 0.62 -2.54 0.03 0.00 -0.22 0.00 0.00 54.13 52.02 1xyg s LEU 357 Cb -0.73 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 43.62 1xyg s LEU 357 CO 0.58 -0.82 -0.11 0.12 -1.32 0.00 0.00 176.35 174.80 1xyg s PHE 358 N 1.57 1.15 -2.00 5.38 2.19 -1.26 -4.88 117.98 120.13 1xyg s PHE 358 Ca 0.32 -0.30 0.21 0.00 0.33 0.00 0.00 56.93 57.49 1xyg s PHE 358 Cb -0.06 -0.80 1.27 0.00 -1.31 0.00 0.00 43.02 42.12 1xyg s PHE 358 CO -0.07 -0.11 1.65 -0.35 1.83 0.00 0.00 175.22 178.16