#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 0.00 -4.02 4.39 5.68 -1.23 -4.71 116.55 116.66 1xyg n ASP 16 Ca 0.00 -0.68 -0.28 0.00 -0.50 0.00 0.00 54.79 53.33 1xyg n ASP 16 Cb 0.00 -0.06 -0.17 0.00 -1.14 0.00 0.00 41.12 39.75 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 -2.13 1.38 -0.23 2.12 -1.09 0.44 -5.04 121.20 116.65 1xyg s ILE 17 Ca 0.37 -0.56 -0.13 0.00 -2.23 0.00 0.00 60.65 58.10 1xyg s ILE 17 Cb 0.18 -1.28 -0.04 0.00 -1.58 0.00 0.00 42.46 39.74 1xyg s ILE 17 CO 0.33 0.42 0.29 -0.13 -1.23 0.00 0.00 174.94 174.62 1xyg s ARG 18 N 1.14 4.09 -0.08 2.79 0.52 -1.26 -0.18 118.95 125.97 1xyg s ARG 18 Ca -0.04 -0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 1xyg s ARG 18 Cb -0.14 -3.57 -0.03 0.00 0.52 0.00 0.00 34.95 31.73 1xyg s ARG 18 CO -0.03 -0.05 -0.07 0.42 0.02 0.00 0.00 175.30 175.59 1xyg s ILE 19 N 1.37 3.67 -0.11 1.52 -1.09 0.18 -0.92 121.20 125.81 1xyg s ILE 19 Ca 0.13 -0.48 -0.01 0.00 -2.23 0.00 0.00 60.65 58.06 1xyg s ILE 19 Cb -0.15 -2.51 -0.03 0.00 -1.58 0.00 0.00 42.46 38.20 1xyg s ILE 19 CO 0.07 0.58 -0.08 -0.83 -1.23 0.00 0.00 174.94 173.46 1xyg s GLY 20 N -0.62 1.66 -0.25 6.18 0.00 -0.35 -1.02 107.32 112.92 1xyg s GLY 20 Ca 0.09 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.95 1xyg s GLY 20 CO 0.02 -0.36 -0.10 -2.27 0.00 0.00 0.00 173.10 170.38 1xyg s LEU 21 N -0.15 3.19 -0.43 0.66 2.96 0.12 -1.09 118.68 123.93 1xyg s LEU 21 Ca 0.01 -1.12 -0.19 0.00 -0.22 0.00 0.00 54.13 52.62 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 0.52 -0.76 -1.32 0.00 0.00 176.35 174.67 1xyg s LEU 22 N 1.21 4.74 0.00 -0.68 1.43 -0.18 -0.45 118.68 124.74 1xyg s LEU 22 Ca -0.04 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1xyg s LEU 22 Cb -0.18 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1xyg s LEU 22 CO -0.06 -0.67 0.00 0.61 0.23 0.00 0.00 176.35 176.46 1xyg n GLY 23 N 5.09 0.38 0.24 -3.19 0.00 -0.65 0.36 105.19 107.42 1xyg n GLY 23 Ca -0.05 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.42 3.37 1.52 4.61 0.00 0.04 -4.32 120.51 125.30 1xyg n ALA 24 Ca 0.00 -0.46 0.15 0.00 0.00 0.00 0.00 53.44 53.13 1xyg n ALA 24 Cb 0.21 -1.04 0.70 0.00 0.00 0.00 0.00 19.45 19.31 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 0.35 -4.92 0.00 3.41 -1.26 -4.09 113.62 106.38 1xyg n SER 25 Ca 0.10 -0.61 -0.21 0.00 -0.26 0.00 0.00 58.87 57.90 1xyg n SER 25 Cb 0.37 -0.10 0.07 0.00 -0.26 0.00 0.00 64.21 64.29 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 -2.39 1.76 0.22 5.00 0.00 -1.26 -4.95 107.32 105.71 1xyg s GLY 26 Ca 0.33 -1.97 -0.06 0.00 0.00 0.00 0.00 44.72 43.02 1xyg s GLY 26 CO 0.45 -1.50 1.72 -0.97 0.00 0.00 0.00 173.10 172.79 1xyg h TYR 27 N 0.01 1.04 -0.13 1.90 0.05 -1.94 -1.26 116.97 116.63 1xyg h TYR 27 Ca -0.33 -0.14 -0.08 0.00 0.05 0.00 0.00 58.73 58.22 1xyg h TYR 27 Cb 1.28 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.72 1xyg h TYR 27 CO 0.24 0.90 -0.30 1.79 -1.05 0.00 0.00 178.16 179.75 1xyg h THR 28 N 0.91 1.26 -0.26 -2.88 1.35 -1.94 -0.40 112.91 110.95 1xyg h THR 28 Ca 0.18 -1.23 -0.07 0.00 -0.55 0.00 0.00 66.41 64.73 1xyg h THR 28 Cb 0.45 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 1xyg h THR 28 CO 0.02 0.37 -0.12 1.23 -0.25 0.00 0.00 175.52 176.77 1xyg h GLY 29 N 1.04 0.59 1.01 5.82 0.00 -1.65 -1.56 103.07 108.32 1xyg h GLY 29 Ca 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1xyg h GLY 29 CO 0.05 0.48 0.58 0.00 0.00 0.00 0.00 176.54 177.65 1xyg h ALA 30 N 0.74 1.17 -0.67 3.60 0.00 -0.90 -1.78 119.26 121.41 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 0.63 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1xyg h ALA 30 CO 0.04 0.61 0.32 0.93 0.00 0.00 0.00 179.25 181.14 1xyg h GLU 31 N 1.26 0.97 -0.09 0.00 4.39 -0.89 0.96 114.58 121.20 1xyg h GLU 31 Ca 0.33 -0.15 0.02 0.00 0.34 0.00 0.00 59.36 59.91 1xyg h GLU 31 Cb -0.09 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.37 1xyg h GLU 31 CO -0.07 0.78 -0.03 0.82 -1.16 0.00 0.00 179.01 179.35 1xyg h ILE 32 N 0.94 0.89 -0.89 3.13 1.08 -0.74 0.10 117.51 122.02 1xyg h ILE 32 Ca 0.23 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.70 1xyg h ILE 32 Cb 0.13 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 34.73 1xyg h ILE 32 CO -0.03 0.00 0.56 0.58 -0.69 0.00 0.00 178.15 178.58 1xyg h VAL 33 N -0.02 1.24 -0.15 1.67 2.07 -1.00 -0.62 116.25 119.44 1xyg h VAL 33 Ca 0.04 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1xyg h VAL 33 Cb 0.08 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1xyg h VAL 33 CO -0.10 0.24 0.06 -0.09 0.02 0.00 0.00 177.57 177.70 1xyg h ARG 34 N 1.21 0.22 -0.59 1.57 2.43 -0.24 -2.21 114.38 116.77 1xyg h ARG 34 Ca 0.32 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1xyg h ARG 34 Cb -0.10 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1xyg h ARG 34 CO -0.07 0.32 0.31 -0.07 -1.51 0.00 0.00 179.97 178.96 1xyg h LEU 35 N 0.08 0.75 -1.30 3.80 3.38 -0.51 -2.82 115.31 118.69 1xyg h LEU 35 Ca 0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1xyg h LEU 35 Cb 0.18 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1xyg h LEU 35 CO -0.00 0.64 -0.11 -0.07 0.09 0.00 0.00 178.44 178.99 1xyg h LEU 36 N 0.81 0.00 -0.84 1.67 3.38 -1.07 -3.30 115.31 115.96 1xyg h LEU 36 Ca 0.21 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.39 1xyg h LEU 36 Cb 0.07 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.68 1xyg h LEU 36 CO -0.03 0.11 0.16 0.00 0.09 0.00 0.00 178.44 178.77 1xyg h ALA 37 N 1.89 1.12 -0.29 1.53 0.00 -1.12 -0.57 119.26 121.82 1xyg h ALA 37 Ca -0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1xyg h ALA 37 Cb 0.62 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1xyg h ALA 37 CO 0.01 -0.45 0.00 0.09 0.00 0.00 0.00 179.25 178.91 1xyg n ASN 38 N -5.26 4.06 -4.69 0.00 3.02 -1.24 -4.95 115.26 106.20 1xyg n ASN 38 Ca 0.19 -3.00 -0.42 0.00 -0.03 0.00 0.00 54.58 51.32 1xyg n ASN 38 Cb 0.61 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 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 -2.80 3.35 0.46 3.10 2.46 -0.22 -4.81 115.29 116.83 1xyg s HIS 39 Ca 0.43 1.41 0.36 0.00 0.47 0.00 0.00 55.06 57.73 1xyg s HIS 39 Cb 0.35 -3.30 1.86 0.00 -0.13 0.00 0.00 32.58 31.35 1xyg s HIS 39 CO 0.10 -0.76 2.19 -1.00 -2.47 0.00 0.00 174.74 172.80 1xyg h PRO 40 N 7.29 0.00 0.00 2.88 0.13 -1.92 -3.35 132.00 137.03 1xyg h PRO 40 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1xyg h PRO 40 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1xyg h PRO 40 CO 0.87 0.03 -0.98 0.72 -0.23 0.00 0.00 178.00 178.42 1xyg n HIS 41 N -3.31 0.00 -3.80 1.56 8.25 -1.26 -4.77 115.22 111.90 1xyg n HIS 41 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.08 1xyg n HIS 41 Cb 0.17 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.22 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 3.56 -0.03 4.41 0.08 -1.26 -0.42 117.98 122.36 1xyg s PHE 42 Ca 0.00 0.53 0.01 0.00 0.12 0.00 0.00 56.93 57.59 1xyg s PHE 42 Cb 0.00 -2.04 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 1xyg s PHE 42 CO 0.00 0.60 -0.04 -1.14 -0.10 0.00 0.00 175.22 174.54 1xyg s GLN 43 N -0.63 0.65 -0.11 0.44 0.74 0.75 -4.69 119.66 116.81 1xyg s GLN 43 Ca 0.14 -0.10 -0.30 0.00 0.05 0.00 0.00 55.36 55.16 1xyg s GLN 43 Cb -0.12 -0.68 -0.02 0.00 1.10 0.00 0.00 33.01 33.28 1xyg s GLN 43 CO 0.03 -0.04 1.21 0.08 -0.55 0.00 0.00 175.29 176.03 1xyg s VAL 44 N 0.67 4.31 0.00 1.34 1.01 -1.26 0.50 120.40 126.96 1xyg s VAL 44 Ca -0.08 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1xyg s VAL 44 Cb -0.12 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1xyg s VAL 44 CO -0.00 -0.07 0.02 0.35 0.00 0.00 0.00 175.10 175.40 1xyg n THR 45 N 4.96 0.00 -3.70 3.92 -2.24 -0.19 -4.75 114.28 112.29 1xyg n THR 45 Ca 0.12 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 1xyg n THR 45 Cb 0.46 1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.56 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 -1.64 0.13 -0.04 3.22 2.96 -1.09 -4.82 118.68 117.39 1xyg s LEU 46 Ca 0.00 0.50 0.03 0.00 -0.22 0.00 0.00 54.13 54.44 1xyg s LEU 46 Cb 0.00 0.63 0.01 0.00 0.50 0.00 0.00 46.19 47.32 1xyg s LEU 46 CO 0.00 -0.20 -0.12 -0.04 -1.32 0.00 0.00 176.35 174.67 1xyg s MET 47 N 1.78 1.39 0.08 1.98 -1.94 -1.26 0.11 119.30 121.44 1xyg s MET 47 Ca -0.04 -0.41 0.08 0.00 -1.71 0.00 0.00 55.69 53.61 1xyg s MET 47 Cb -0.11 -1.22 -0.04 0.00 2.01 0.00 0.00 34.83 35.47 1xyg s MET 47 CO -0.08 0.12 -0.15 0.95 -0.01 0.00 0.00 175.02 175.85 1xyg s THR 48 N 0.32 3.02 0.03 2.05 -4.23 0.40 -1.69 115.64 115.54 1xyg s THR 48 Ca -0.07 -1.30 -0.16 0.00 -1.18 0.00 0.00 61.69 58.98 1xyg s THR 48 Cb -0.12 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.39 1xyg s THR 48 CO 0.02 0.19 0.34 0.00 -0.54 0.00 0.00 174.62 174.63 1xyg s ALA 49 N -1.09 -0.82 0.00 3.99 0.00 -0.70 -0.78 121.76 122.36 1xyg s ALA 49 Ca 0.18 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1xyg s ALA 49 Cb -0.11 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1xyg s ALA 49 CO 0.10 -0.40 0.00 -3.47 0.00 0.00 0.00 175.76 171.98 1xyg n ASP 50 N 0.66 0.00 0.25 0.00 2.03 -1.26 -3.85 116.55 114.38 1xyg n ASP 50 Ca -0.19 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.22 1xyg n ASP 50 Cb 0.59 0.00 0.67 0.00 -0.72 0.00 0.00 41.12 41.66 1xyg n ASP 50 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1xyg h ARG 51 N 0.00 0.00 -0.62 -0.67 2.43 -2.00 -2.58 114.38 110.94 1xyg h ARG 51 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xyg h ARG 51 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1xyg h ARG 51 CO 0.00 0.11 0.00 1.63 -1.51 0.00 0.00 179.97 180.20 1xyg n LYS 52 N -4.03 4.45 -1.95 0.20 5.02 -1.26 -4.97 118.16 115.62 1xyg n LYS 52 Ca -0.02 -3.01 -0.41 0.00 -2.02 0.00 0.00 58.31 52.85 1xyg n LYS 52 Cb 0.19 -2.13 -0.02 0.00 -0.02 0.00 0.00 35.03 33.06 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 -2.42 3.60 0.00 7.82 0.00 -0.98 -2.26 121.76 127.52 1xyg s ALA 53 Ca 0.53 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1xyg s ALA 53 Cb 0.38 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1xyg s ALA 53 CO 0.19 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.52 1xyg n GLY 54 N 1.37 3.25 3.93 0.00 0.00 0.54 -4.94 105.19 109.35 1xyg n GLY 54 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.72 3.45 0.64 1.61 -0.21 -0.96 -4.72 119.66 118.76 1xyg s GLN 55 Ca 0.00 -0.21 -0.09 0.00 0.02 0.00 0.00 55.36 55.09 1xyg s GLN 55 Cb 0.00 -2.57 0.01 0.00 1.00 0.00 0.00 33.01 31.45 1xyg s GLN 55 CO 0.00 0.00 1.00 -1.54 -2.12 0.00 0.00 175.29 172.63 1xyg s SER 56 N -4.08 5.54 0.33 5.90 1.04 -1.26 -0.92 113.70 120.25 1xyg s SER 56 Ca 0.43 0.93 0.17 0.00 0.48 0.00 0.00 55.95 57.96 1xyg s SER 56 Cb -0.10 -1.83 0.19 0.00 0.10 0.00 0.00 66.02 64.38 1xyg s SER 56 CO 0.39 -1.19 1.51 0.24 0.98 0.00 0.00 173.24 175.17 1xyg h MET 57 N -0.40 0.00 -0.78 4.02 2.86 -1.91 -3.06 114.93 115.65 1xyg h MET 57 Ca -0.45 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.29 1xyg h MET 57 Cb 1.25 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.86 1xyg h MET 57 CO 0.62 0.37 0.51 0.93 1.06 0.00 0.00 176.91 180.41 1xyg h GLU 58 N 0.00 0.68 -0.44 1.72 5.08 -1.91 1.30 114.58 121.01 1xyg h GLU 58 Ca -0.00 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1xyg h GLU 58 Cb 1.25 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1xyg h GLU 58 CO 0.05 0.45 0.01 0.66 -1.00 0.00 0.00 179.01 179.18 1xyg h SER 59 N 0.70 0.67 0.00 1.42 4.64 -1.93 -1.25 113.55 117.79 1xyg h SER 59 Ca 0.36 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.47 1xyg h SER 59 Cb 0.48 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1xyg h SER 59 CO -0.14 0.73 -0.37 0.58 -0.87 0.00 0.00 176.83 176.77 1xyg h VAL 60 N 0.66 1.49 -3.11 0.95 2.07 -0.92 -3.43 116.25 113.97 1xyg h VAL 60 Ca 0.14 -2.26 -0.62 0.00 0.82 0.00 0.00 66.70 64.78 1xyg h VAL 60 Cb 0.40 2.96 -0.40 0.00 -1.52 0.00 0.00 31.29 32.72 1xyg h VAL 60 CO 0.01 0.50 -0.70 -0.36 0.02 0.00 0.00 177.57 177.05 1xyg s PHE 61 N -2.25 2.41 0.59 1.57 0.08 0.42 -5.00 117.98 115.81 1xyg s PHE 61 Ca -0.21 -2.70 0.43 0.00 0.12 0.00 0.00 56.93 54.57 1xyg s PHE 61 Cb -0.00 -2.20 2.33 0.00 -0.57 0.00 0.00 43.02 42.58 1xyg s PHE 61 CO 0.64 -0.76 2.32 -1.00 -0.10 0.00 0.00 175.22 176.32 1xyg h PRO 62 N 6.58 0.00 0.00 0.24 0.13 -1.41 -2.35 132.00 135.19 1xyg h PRO 62 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1xyg h PRO 62 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1xyg h PRO 62 CO 0.56 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.94 1xyg n HIS 63 N -3.01 0.25 -0.07 1.56 1.44 -1.26 -2.28 115.22 111.85 1xyg n HIS 63 Ca -0.03 0.10 0.09 0.00 -2.01 0.00 0.00 57.72 55.87 1xyg n HIS 63 Cb 0.07 -0.66 0.28 0.00 0.12 0.00 0.00 29.99 29.80 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 -1.73 3.61 0.15 2.39 4.77 -0.88 -4.55 117.00 120.76 1xyg n LEU 64 Ca 0.03 -1.82 0.11 0.00 -0.03 0.00 0.00 56.01 54.30 1xyg n LEU 64 Cb 0.19 -0.46 0.56 0.00 -2.33 0.00 0.00 43.42 41.37 1xyg n LEU 64 CO 0.15 0.76 0.83 -2.11 -1.33 0.00 0.00 177.39 175.69 1xyg n ARG 65 N 1.12 0.14 0.17 3.23 1.85 -0.97 -1.63 116.66 120.58 1xyg n ARG 65 Ca 0.21 0.60 0.13 0.00 -1.00 0.00 0.00 57.85 57.79 1xyg n ARG 65 Cb 0.63 -1.93 0.39 0.00 -1.05 0.00 0.00 32.46 30.49 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 -2.58 2.89 0.00 -1.87 -3.45 119.26 117.29 1xyg h ALA 66 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1xyg h ALA 66 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xyg h ALA 66 CO 0.00 0.00 -0.26 -0.65 0.00 0.00 0.00 179.25 178.34 1xyg s GLN 67 N -3.25 3.61 -0.39 0.00 -0.21 -0.64 -5.07 119.66 113.70 1xyg s GLN 67 Ca 0.07 -0.10 -0.11 0.00 0.02 0.00 0.00 55.36 55.23 1xyg s GLN 67 Cb 0.09 -2.78 0.04 0.00 1.00 0.00 0.00 33.01 31.36 1xyg s GLN 67 CO 0.58 0.38 0.23 0.15 -2.12 0.00 0.00 175.29 174.51 1xyg s LYS 68 N -3.06 2.80 0.19 2.91 1.02 -1.26 -5.06 119.74 117.28 1xyg s LYS 68 Ca 0.42 -1.16 0.11 0.00 0.02 0.00 0.00 55.97 55.35 1xyg s LYS 68 Cb -0.11 -3.78 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 1xyg s LYS 68 CO 0.27 -0.77 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.18 1xyg s LEU 69 N 1.54 2.44 0.55 3.17 1.43 -1.26 -5.06 118.68 121.50 1xyg s LEU 69 Ca 0.02 -0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 52.08 1xyg s LEU 69 Cb -0.20 -1.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 1xyg s LEU 69 CO 0.06 0.10 1.06 -2.16 0.23 0.00 0.00 176.35 175.64 1xyg s PRO 70 N -2.70 3.47 0.46 1.29 0.04 -1.26 -4.92 135.00 131.39 1xyg s PRO 70 Ca 0.20 1.29 -0.24 0.00 0.04 0.00 0.00 61.00 62.29 1xyg s PRO 70 Cb -0.08 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 1xyg s PRO 70 CO 0.10 -0.69 1.36 0.99 0.04 0.00 0.00 177.00 178.80 1xyg s THR 71 N -2.24 2.26 0.15 1.26 2.01 -1.26 -4.69 115.64 113.12 1xyg s THR 71 Ca 0.66 0.22 -0.31 0.00 0.31 0.00 0.00 61.69 62.57 1xyg s THR 71 Cb -0.17 -3.12 -0.08 0.00 0.01 0.00 0.00 72.50 69.13 1xyg s THR 71 CO 0.31 0.02 1.39 -0.76 -0.69 0.00 0.00 174.62 174.89 1xyg s LEU 72 N -2.88 4.38 0.42 4.42 1.43 -0.10 -4.64 118.68 121.71 1xyg s LEU 72 Ca 0.63 2.39 0.04 0.00 -1.03 0.00 0.00 54.13 56.15 1xyg s LEU 72 Cb -0.41 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 1xyg s LEU 72 CO 0.51 -0.64 0.05 0.68 0.23 0.00 0.00 176.35 177.18 1xyg s VAL 73 N 0.82 1.20 0.29 -1.59 -7.23 -0.68 0.20 120.40 113.40 1xyg s VAL 73 Ca 0.63 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.55 1xyg s VAL 73 Cb -0.38 -2.54 -0.09 0.00 0.56 0.00 0.00 36.38 33.93 1xyg s VAL 73 CO 0.33 0.00 0.89 -0.55 -0.31 0.00 0.00 175.10 175.46 1xyg s SER 74 N -3.67 7.28 0.40 4.85 0.15 -1.26 -1.72 113.70 119.72 1xyg s SER 74 Ca 0.24 1.73 0.09 0.00 0.70 0.00 0.00 55.95 58.71 1xyg s SER 74 Cb 0.05 -2.54 0.82 0.00 -1.71 0.00 0.00 66.02 62.64 1xyg s SER 74 CO 0.12 -0.03 1.96 0.58 1.20 0.00 0.00 173.24 177.07 1xyg h VAL 75 N 2.68 1.15 0.00 4.45 2.07 -1.94 -1.65 116.25 123.00 1xyg h VAL 75 Ca -0.47 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1xyg h VAL 75 Cb 1.19 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1xyg h VAL 75 CO 0.65 0.20 0.00 0.11 0.02 0.00 0.00 177.57 178.55 1xyg h LYS 76 N 0.31 0.00 -0.07 1.57 6.56 -1.97 -2.78 116.57 120.20 1xyg h LYS 76 Ca 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1xyg h LYS 76 Cb 0.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1xyg h LYS 76 CO 0.01 0.00 0.00 -0.25 -2.06 0.00 0.00 179.45 177.15 1xyg n ASP 77 N -2.90 2.44 -4.75 0.86 8.00 -0.68 -4.99 116.55 114.53 1xyg n ASP 77 Ca 0.01 -1.70 -0.40 0.00 0.71 0.00 0.00 54.79 53.40 1xyg n ASP 77 Cb 0.28 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.31 3.37 -0.14 2.24 0.00 -0.88 -4.95 121.76 120.09 1xyg s ALA 78 Ca 0.20 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.95 1xyg s ALA 78 Cb 0.14 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.99 1xyg s ALA 78 CO 0.20 0.01 -0.21 0.34 0.00 0.00 0.00 175.76 176.10 1xyg s ASP 79 N -0.96 3.20 -0.11 0.00 -1.08 -1.26 -5.02 116.67 111.43 1xyg s ASP 79 Ca 0.43 -0.58 0.15 0.00 -0.52 0.00 0.00 52.55 52.03 1xyg s ASP 79 Cb -0.29 -1.47 0.64 0.00 -1.46 0.00 0.00 42.92 40.35 1xyg s ASP 79 CO 0.36 0.08 1.53 0.49 0.52 0.00 0.00 175.17 178.15 1xyg n PHE 80 N 4.08 1.38 0.29 -5.34 3.01 -1.26 -4.49 117.46 115.14 1xyg n PHE 80 Ca -0.20 -0.54 0.17 0.00 1.01 0.00 0.00 57.45 57.90 1xyg n PHE 80 Cb 0.52 -0.25 0.84 0.00 -0.01 0.00 0.00 39.48 40.57 1xyg n PHE 80 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1xyg h SER 81 N 3.57 0.00 -0.06 4.37 4.64 -2.05 -1.92 113.55 122.10 1xyg h SER 81 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xyg h SER 81 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1xyg h SER 81 CO 0.24 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.55 1xyg n THR 82 N -2.78 1.67 -4.43 2.95 -2.24 -1.26 -4.99 114.28 103.20 1xyg n THR 82 Ca -0.01 -1.81 -0.32 0.00 -2.27 0.00 0.00 64.05 59.64 1xyg n THR 82 Cb 0.15 -0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.27 1xyg n THR 82 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1xyg s VAL 83 N -2.28 3.73 -0.22 2.28 1.01 -0.72 -4.81 120.40 119.40 1xyg s VAL 83 Ca 0.25 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1xyg s VAL 83 Cb 0.21 -2.63 -0.19 0.00 0.00 0.00 0.00 36.38 33.77 1xyg s VAL 83 CO 0.04 0.39 -0.09 0.47 0.00 0.00 0.00 175.10 175.91 1xyg n ASP 84 N 1.54 1.40 -3.85 3.32 8.00 -0.10 -4.94 116.55 121.92 1xyg n ASP 84 Ca -0.15 -0.07 -0.09 0.00 0.71 0.00 0.00 54.79 55.18 1xyg n ASP 84 Cb 0.53 0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 41.74 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 -2.47 -0.29 0.01 2.24 0.00 -1.10 -3.23 121.76 116.93 1xyg s ALA 85 Ca -0.22 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1xyg s ALA 85 Cb 0.07 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 1xyg s ALA 85 CO 0.64 -0.47 -0.10 0.08 0.00 0.00 0.00 175.76 175.91 1xyg s VAL 86 N -3.45 0.81 -0.19 0.00 1.01 -0.30 -1.21 120.40 117.08 1xyg s VAL 86 Ca 0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1xyg s VAL 86 Cb 0.03 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1xyg s VAL 86 CO -0.09 0.07 -0.06 -0.36 0.00 0.00 0.00 175.10 174.66 1xyg s PHE 87 N -0.56 2.94 -0.24 5.22 0.08 -0.25 -1.50 117.98 123.67 1xyg s PHE 87 Ca 0.01 -0.73 -0.06 0.00 0.12 0.00 0.00 56.93 56.27 1xyg s PHE 87 Cb -0.06 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.36 1xyg s PHE 87 CO 0.00 -0.36 0.03 0.00 -0.10 0.00 0.00 175.22 174.78 1xyg s LEU 90 N -3.52 3.29 0.62 0.00 1.43 -1.23 -4.54 118.68 114.73 1xyg s LEU 90 Ca 0.44 0.26 -0.17 0.00 -1.03 0.00 0.00 54.13 53.64 1xyg s LEU 90 Cb 0.40 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 1xyg s LEU 90 CO -0.08 -1.09 1.12 -2.16 0.23 0.00 0.00 176.35 174.37 1xyg s PRO 91 N -4.83 2.96 0.05 1.29 0.04 -1.26 -4.73 135.00 128.53 1xyg s PRO 91 Ca 0.55 1.49 -0.31 0.00 0.04 0.00 0.00 61.00 62.77 1xyg s PRO 91 Cb -0.10 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1xyg s PRO 91 CO 0.40 -1.14 1.50 -1.58 0.04 0.00 0.00 177.00 176.22 1xyg s HIS 92 N -2.12 2.77 0.00 0.56 5.65 -1.26 -2.12 115.29 118.77 1xyg s HIS 92 Ca 0.69 0.65 0.00 0.00 0.25 0.00 0.00 55.06 56.65 1xyg s HIS 92 Cb -0.22 -3.79 0.00 0.00 -1.18 0.00 0.00 32.58 27.38 1xyg s HIS 92 CO 0.37 -3.02 0.00 0.41 -0.65 0.00 0.00 174.74 171.85 1xyg n GLY 93 N 3.76 1.07 0.35 1.59 0.00 -1.26 -4.94 105.19 105.76 1xyg n GLY 93 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.37 -0.20 2.61 -2.24 -0.90 -4.90 114.28 109.02 1xyg n THR 94 Ca 0.00 -0.12 -0.05 0.00 -2.27 0.00 0.00 64.05 61.61 1xyg n THR 94 Cb 0.00 -1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 67.09 1xyg n THR 94 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xyg n THR 95 N -2.95 -0.33 -0.15 4.28 -1.04 -1.21 -2.51 114.28 110.38 1xyg n THR 95 Ca -0.12 1.41 -0.06 0.00 -2.04 0.00 0.00 64.05 63.23 1xyg n THR 95 Cb 0.61 -1.77 -0.00 0.00 -1.82 0.00 0.00 70.33 67.35 1xyg n THR 95 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1xyg h GLN 96 N 0.00 -0.20 -0.12 -2.82 4.20 -1.91 0.14 115.11 114.40 1xyg h GLN 96 Ca 0.08 0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 1xyg h GLN 96 Cb 0.20 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1xyg h GLN 96 CO -0.45 -0.13 -0.47 0.93 -0.67 0.00 0.00 178.83 178.04 1xyg h GLU 97 N -0.21 0.29 -0.18 1.46 5.08 -1.76 -1.35 114.58 117.91 1xyg h GLU 97 Ca 0.20 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 1xyg h GLU 97 Cb 0.53 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1xyg h GLU 97 CO -0.58 0.70 -0.36 0.82 -1.00 0.00 0.00 179.01 178.60 1xyg h ILE 98 N 0.23 1.34 -0.26 3.13 2.04 -1.12 -2.78 117.51 120.10 1xyg h ILE 98 Ca 0.01 -1.60 -0.12 0.00 1.00 0.00 0.00 64.86 64.16 1xyg h ILE 98 Cb 0.92 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1xyg h ILE 98 CO 0.08 0.49 -0.34 0.40 0.00 0.00 0.00 178.15 178.78 1xyg h ILE 99 N 0.20 1.29 -0.57 -0.67 2.04 -0.74 -2.89 117.51 116.18 1xyg h ILE 99 Ca 0.01 -1.45 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 1xyg h ILE 99 Cb 0.95 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 1xyg h ILE 99 CO 0.08 0.46 0.19 0.50 0.00 0.00 0.00 178.15 179.38 1xyg h LYS 100 N 0.47 0.84 -0.75 2.37 3.64 -1.23 -2.04 116.57 119.87 1xyg h LYS 100 Ca 0.05 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1xyg h LYS 100 Cb 0.81 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1xyg h LYS 100 CO 0.07 0.72 0.00 0.39 -2.27 0.00 0.00 179.45 178.35 1xyg n GLU 101 N -4.30 2.60 -3.50 1.90 1.02 -1.05 -4.90 120.64 112.41 1xyg n GLU 101 Ca 0.05 -1.37 -0.35 0.00 -0.02 0.00 0.00 57.16 55.47 1xyg n GLU 101 Cb 0.19 -1.76 -0.05 0.00 -0.02 0.00 0.00 31.44 29.79 1xyg n GLU 101 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1xyg s LEU 102 N -1.19 4.33 0.44 -4.62 1.43 -0.77 -5.04 118.68 113.26 1xyg s LEU 102 Ca 0.24 0.89 -0.24 0.00 -1.03 0.00 0.00 54.13 53.99 1xyg s LEU 102 Cb 0.17 -3.14 -0.10 0.00 0.03 0.00 0.00 46.19 43.16 1xyg s LEU 102 CO 0.08 0.13 1.07 -0.81 0.23 0.00 0.00 176.35 177.05 1xyg n PRO 103 N 0.77 1.44 0.23 1.29 -0.04 -1.26 -4.90 135.00 132.54 1xyg n PRO 103 Ca -0.06 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 64.02 1xyg n PRO 103 Cb 0.52 -2.15 0.55 0.00 -0.04 0.00 0.00 33.50 32.39 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 1.55 0.62 0.00 0.52 2.02 -1.96 -3.01 112.91 112.64 1xyg h THR 104 Ca -0.46 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 65.79 1xyg h THR 104 Cb 1.33 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1xyg h THR 104 CO 0.57 0.20 0.00 0.00 0.37 0.00 0.00 175.52 176.66 1xyg n ALA 105 N -2.26 2.05 -2.59 6.16 0.00 -1.26 -4.79 120.51 117.81 1xyg n ALA 105 Ca -0.01 -0.10 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 1xyg n ALA 105 Cb 0.36 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.46 4.38 -0.11 0.00 1.43 -1.14 -4.95 118.68 115.84 1xyg s LEU 106 Ca 0.20 0.88 -0.22 0.00 -1.03 0.00 0.00 54.13 53.96 1xyg s LEU 106 Cb 0.13 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 1xyg s LEU 106 CO 0.28 0.18 0.67 -0.54 0.23 0.00 0.00 176.35 177.17 1xyg s LYS 107 N -0.30 4.37 -0.06 1.70 -0.14 -1.20 -4.84 119.74 119.27 1xyg s LYS 107 Ca 0.24 0.79 0.04 0.00 -1.36 0.00 0.00 55.97 55.69 1xyg s LYS 107 Cb -0.16 -3.48 -0.00 0.00 -1.68 0.00 0.00 37.83 32.51 1xyg s LYS 107 CO 0.12 -0.02 -0.18 0.42 -0.76 0.00 0.00 175.35 174.93 1xyg s ILE 108 N 1.11 1.55 -0.27 2.17 1.01 0.21 -1.15 121.20 125.83 1xyg s ILE 108 Ca 0.35 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1xyg s ILE 108 Cb -0.17 -1.34 0.07 0.00 0.01 0.00 0.00 42.46 41.03 1xyg s ILE 108 CO 0.15 0.44 -0.06 -0.69 0.00 0.00 0.00 174.94 174.78 1xyg s VAL 109 N 0.16 1.98 -0.26 2.92 1.01 -0.56 -0.16 120.40 125.50 1xyg s VAL 109 Ca -0.08 -1.64 -0.18 0.00 0.00 0.00 0.00 61.98 60.09 1xyg s VAL 109 Cb -0.13 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1xyg s VAL 109 CO 0.04 -0.16 0.51 -0.62 0.00 0.00 0.00 175.10 174.87 1xyg s ASP 110 N 1.16 6.44 0.00 3.32 2.15 0.26 -1.37 116.67 128.63 1xyg s ASP 110 Ca -0.04 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 0.90 0.00 -0.30 0.00 0.00 42.92 41.05 1xyg s ASP 110 CO -0.06 -0.28 1.69 0.18 -0.17 0.00 0.00 175.17 176.53 1xyg n LEU 111 N 5.50 0.28 -4.76 -1.34 4.32 0.19 -0.21 117.00 120.97 1xyg n LEU 111 Ca -0.04 0.22 -0.30 0.00 -0.02 0.00 0.00 56.01 55.87 1xyg n LEU 111 Cb 0.50 -0.36 0.21 0.00 -1.62 0.00 0.00 43.42 42.15 1xyg n LEU 111 CO 0.40 0.07 0.74 -0.94 -1.22 0.00 0.00 177.39 176.44 1xyg s SER 112 N -2.95 2.02 0.00 -1.43 1.04 -1.25 -4.82 113.70 106.31 1xyg s SER 112 Ca 0.14 0.47 0.23 0.00 0.48 0.00 0.00 55.95 57.27 1xyg s SER 112 Cb 0.18 -0.62 0.13 0.00 0.10 0.00 0.00 66.02 65.81 1xyg s SER 112 CO 0.60 -3.43 1.17 0.00 0.98 0.00 0.00 173.24 172.56 1xyg n ALA 113 N -4.27 3.57 0.17 5.32 0.00 -1.26 -4.57 120.51 119.48 1xyg n ALA 113 Ca 0.14 -0.59 0.11 0.00 0.00 0.00 0.00 53.44 53.10 1xyg n ALA 113 Cb 0.59 -0.86 0.60 0.00 0.00 0.00 0.00 19.45 19.78 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 1.94 0.00 0.00 0.00 3.32 -1.96 -2.50 116.42 117.22 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 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1xyg h ASP 114 CO 0.00 0.00 -0.01 0.49 -1.72 0.00 0.00 179.24 178.00 1xyg n PHE 115 N -2.28 0.00 0.02 4.55 3.72 -1.26 -4.77 117.46 117.44 1xyg n PHE 115 Ca -0.01 -0.46 -0.19 0.00 -0.05 0.00 0.00 57.45 56.73 1xyg n PHE 115 Cb 0.08 -0.05 -0.10 0.00 -0.94 0.00 0.00 39.48 38.46 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 0.64 -6.13 -1.08 3.08 -1.74 -3.45 114.38 105.70 1xyg h ARG 116 Ca 0.00 -0.66 -0.56 0.00 0.07 0.00 0.00 59.98 58.83 1xyg h ARG 116 Cb 0.63 0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.81 1xyg h ARG 116 CO 0.00 1.26 0.30 -0.51 -1.07 0.00 0.00 179.97 179.94 1xyg s LEU 117 N -8.22 4.28 0.11 3.04 1.43 -1.26 -4.95 118.68 113.12 1xyg s LEU 117 Ca -0.11 1.34 0.11 0.00 -1.03 0.00 0.00 54.13 54.45 1xyg s LEU 117 Cb 0.06 -3.30 -0.14 0.00 0.03 0.00 0.00 46.19 42.84 1xyg s LEU 117 CO 0.89 -0.27 1.12 0.03 0.23 0.00 0.00 176.35 178.36 1xyg h ARG 118 N 6.96 0.00 -6.44 1.70 3.08 -1.94 -3.43 114.38 114.31 1xyg h ARG 118 Ca -0.37 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.11 1xyg h ARG 118 Cb 1.18 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.15 1xyg h ARG 118 CO 0.79 0.67 0.79 1.21 -1.07 0.00 0.00 179.97 182.36 1xyg s ASN 119 N -6.38 6.66 0.15 7.04 3.84 -1.26 -4.93 114.94 120.05 1xyg s ASN 119 Ca -0.00 0.51 -0.17 0.00 0.21 0.00 0.00 52.86 53.41 1xyg s ASN 119 Cb 0.09 -2.52 0.04 0.00 -0.55 0.00 0.00 41.25 38.31 1xyg s ASN 119 CO 0.80 -1.09 1.74 0.40 -2.79 0.00 0.00 177.10 176.16 1xyg h ILE 120 N 6.06 0.87 -0.70 -5.21 1.08 -2.00 -1.54 117.51 116.07 1xyg h ILE 120 Ca -0.23 -0.07 0.03 0.00 -0.39 0.00 0.00 64.86 64.20 1xyg h ILE 120 Cb 1.07 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 35.43 1xyg h ILE 120 CO 1.07 0.04 0.46 0.00 -0.69 0.00 0.00 178.15 179.03 1xyg h ALA 121 N 1.23 1.57 -0.52 1.87 0.00 -1.99 -1.53 119.26 119.89 1xyg h ALA 121 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1xyg h ALA 121 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1xyg h ALA 121 CO -0.18 0.37 0.14 1.49 0.00 0.00 0.00 179.25 181.07 1xyg h GLU 122 N 0.87 0.82 -0.69 0.00 4.81 -1.78 -1.40 114.58 117.21 1xyg h GLU 122 Ca 0.27 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1xyg h GLU 122 Cb 0.01 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1xyg h GLU 122 CO -0.07 0.77 0.33 -0.92 -0.73 0.00 0.00 179.01 178.39 1xyg h TYR 123 N 0.72 0.99 -0.44 0.92 3.20 -0.37 -2.42 116.97 119.56 1xyg h TYR 123 Ca 0.16 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 1xyg h TYR 123 Cb 0.31 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1xyg h TYR 123 CO 0.02 0.73 0.05 0.93 -1.64 0.00 0.00 178.16 178.25 1xyg h GLU 124 N 0.95 0.74 -0.38 1.82 5.08 -1.02 0.98 114.58 122.74 1xyg h GLU 124 Ca 0.24 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1xyg h GLU 124 Cb 0.11 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1xyg h GLU 124 CO -0.03 0.78 -0.18 1.49 -1.00 0.00 0.00 179.01 180.07 1xyg h GLU 125 N 0.59 0.72 0.00 2.33 4.81 -1.18 -1.39 114.58 120.46 1xyg h GLU 125 Ca 0.13 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 1xyg h GLU 125 Cb 0.41 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1xyg h GLU 125 CO 0.01 0.85 -0.99 -1.49 -0.73 0.00 0.00 179.01 176.67 1xyg h TRP 126 N 0.64 0.00 -0.10 0.92 4.06 -1.35 -3.37 115.95 116.75 1xyg h TRP 126 Ca 0.10 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.05 1xyg h TRP 126 Cb 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.82 1xyg h TRP 126 CO 0.03 0.38 0.00 0.66 -3.56 0.00 0.00 178.44 175.95 1xyg n TYR 127 N -2.94 0.12 -1.75 0.49 4.01 0.33 -4.90 117.16 112.52 1xyg n TYR 127 Ca -0.04 -0.12 -0.15 0.00 -0.16 0.00 0.00 57.90 57.44 1xyg n TYR 127 Cb 0.72 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.71 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 0.65 0.85 3.52 2.72 0.00 -0.53 -5.00 105.19 107.40 1xyg n GLY 128 Ca 0.08 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.81 0.93 0.77 1.61 -2.07 -1.22 -5.07 119.66 110.80 1xyg s GLN 129 Ca 0.00 0.02 -0.14 0.00 -1.82 0.00 0.00 55.36 53.43 1xyg s GLN 129 Cb 0.00 0.44 0.06 0.00 -1.09 0.00 0.00 33.01 32.42 1xyg s GLN 129 CO 0.00 -0.33 1.18 -2.14 -1.32 0.00 0.00 175.29 172.67 1xyg s PRO 130 N -1.89 1.97 -0.13 9.60 0.02 -1.26 -4.21 135.00 139.10 1xyg s PRO 130 Ca -0.04 1.64 -0.29 0.00 0.02 0.00 0.00 61.00 62.32 1xyg s PRO 130 Cb -0.00 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.68 1xyg s PRO 130 CO 0.01 -1.94 1.02 -1.58 -0.33 0.00 0.00 177.00 174.18 1xyg s HIS 131 N -2.23 3.47 -0.70 6.54 2.46 -1.26 -4.92 115.29 118.64 1xyg s HIS 131 Ca 0.71 1.56 0.15 0.00 0.47 0.00 0.00 55.06 57.94 1xyg s HIS 131 Cb -0.26 -3.21 0.72 0.00 -0.13 0.00 0.00 32.58 29.70 1xyg s HIS 131 CO 0.48 -0.32 1.62 1.63 -2.47 0.00 0.00 174.74 175.69 1xyg n LYS 132 N 5.27 4.14 -2.71 2.88 5.02 -1.26 -4.31 118.16 127.19 1xyg n LYS 132 Ca 0.09 -2.81 -0.05 0.00 -2.02 0.00 0.00 58.31 53.53 1xyg n LYS 132 Cb 0.48 -2.05 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 0.80 2.41 -0.29 7.82 0.00 -1.26 -4.69 120.51 125.30 1xyg n ALA 133 Ca 0.25 -1.86 0.11 0.00 0.00 0.00 0.00 53.44 51.94 1xyg n ALA 133 Cb 1.00 -0.91 0.26 0.00 0.00 0.00 0.00 19.45 19.79 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 3.44 0.31 -0.05 0.00 2.07 -2.00 -1.65 116.25 118.37 1xyg h VAL 134 Ca -0.26 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1xyg h VAL 134 Cb 1.27 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1xyg h VAL 134 CO 0.06 0.03 -0.03 -0.33 0.02 0.00 0.00 177.57 177.32 1xyg h GLU 135 N 0.18 0.11 -0.55 1.57 4.39 -1.97 -3.08 114.58 115.23 1xyg h GLU 135 Ca 0.52 -0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.25 1xyg h GLU 135 Cb 1.02 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.64 1xyg h GLU 135 CO -0.66 0.52 0.37 1.25 -1.16 0.00 0.00 179.01 179.33 1xyg h LEU 136 N -0.30 0.37 -1.44 1.33 5.85 -1.86 -2.15 115.31 117.11 1xyg h LEU 136 Ca 0.01 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.91 1xyg h LEU 136 Cb 0.49 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1xyg h LEU 136 CO 0.01 0.23 0.57 -0.61 -0.34 0.00 0.00 178.44 178.30 1xyg h GLN 137 N 0.41 0.49 0.00 1.25 5.75 -1.22 -1.70 115.11 120.09 1xyg h GLN 137 Ca 0.25 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 1xyg h GLN 137 Cb 0.45 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1xyg h GLN 137 CO -0.07 0.33 0.00 1.63 -2.65 0.00 0.00 178.83 178.07 1xyg n LYS 138 N -4.53 0.02 -0.08 1.69 5.02 -0.81 -2.44 118.16 117.03 1xyg n LYS 138 Ca 0.18 0.18 0.08 0.00 -2.02 0.00 0.00 58.31 56.74 1xyg n LYS 138 Cb 0.59 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.22 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 1.80 -2.75 1.97 0.28 -0.64 -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 54.88 1xyg n GLU 139 Cb 0.20 -1.35 -0.06 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 -1.27 4.20 -0.11 3.84 1.01 -1.02 -4.65 120.40 122.39 1xyg s VAL 140 Ca 0.24 2.07 0.01 0.00 0.00 0.00 0.00 61.98 64.31 1xyg s VAL 140 Cb 0.15 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1xyg s VAL 140 CO 0.22 0.45 -0.14 -0.69 0.00 0.00 0.00 175.10 174.94 1xyg s VAL 141 N -0.84 3.01 0.01 2.92 1.01 -1.04 -4.96 120.40 120.51 1xyg s VAL 141 Ca 0.43 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 1xyg s VAL 141 Cb -0.25 -2.24 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 1xyg s VAL 141 CO 0.31 0.54 1.49 -0.47 0.00 0.00 0.00 175.10 176.97 1xyg s TYR 142 N 0.10 2.65 -0.00 5.22 5.04 -1.26 -1.42 117.35 127.68 1xyg s TYR 142 Ca -0.06 0.63 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 1xyg s TYR 142 Cb -0.15 -3.76 0.00 0.00 0.35 0.00 0.00 41.96 38.40 1xyg s TYR 142 CO 0.05 -2.95 1.62 0.41 -1.34 0.00 0.00 175.55 173.34 1xyg n GLY 143 N 3.78 2.33 3.54 8.97 0.00 0.45 -4.75 105.19 119.53 1xyg n GLY 143 Ca 0.14 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.03 4.09 0.10 0.99 2.96 -1.26 -4.51 118.68 121.03 1xyg s LEU 144 Ca 0.01 -2.29 -0.20 0.00 -0.22 0.00 0.00 54.13 51.42 1xyg s LEU 144 Cb 0.00 -2.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 1xyg s LEU 144 CO 0.00 -1.16 1.12 0.41 -1.32 0.00 0.00 176.35 175.40 1xyg n THR 145 N 6.10 -0.44 0.31 3.68 -1.04 -1.26 -1.11 114.28 120.51 1xyg n THR 145 Ca 0.41 1.75 0.19 0.00 -2.04 0.00 0.00 64.05 64.36 1xyg n THR 145 Cb 0.47 -2.18 1.06 0.00 -1.82 0.00 0.00 70.33 67.86 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 -0.13 114.58 112.73 1xyg h GLU 146 Ca 0.10 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.60 1xyg h GLU 146 Cb 0.27 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.13 1xyg h GLU 146 CO -0.61 0.00 -2.06 -0.89 -1.40 0.00 0.00 179.01 174.04 1xyg n ILE 147 N -3.38 1.57 -1.20 3.13 2.08 -0.27 -4.60 119.36 116.69 1xyg n ILE 147 Ca -0.02 -0.36 -0.01 0.00 0.56 0.00 0.00 62.75 62.91 1xyg n ILE 147 Cb 0.12 -1.82 0.24 0.00 -0.75 0.00 0.00 39.64 37.43 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 -3.98 4.45 -0.34 1.39 4.77 -0.59 -4.81 117.00 117.90 1xyg n LEU 148 Ca -0.42 -3.39 -0.03 0.00 -0.03 0.00 0.00 56.01 52.13 1xyg n LEU 148 Cb 0.88 -0.63 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1xyg n LEU 148 CO 0.19 0.95 0.58 -0.09 -1.33 0.00 0.00 177.39 177.70 1xyg h ARG 149 N 1.52 -0.05 -0.76 3.23 2.43 -1.22 -0.29 114.38 119.25 1xyg h ARG 149 Ca 0.17 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1xyg h ARG 149 Cb 1.74 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 31.26 1xyg h ARG 149 CO 0.42 -0.03 0.50 0.93 -1.51 0.00 0.00 179.97 180.28 1xyg h GLU 150 N -0.05 0.89 0.05 0.20 4.39 -1.87 -1.18 114.58 117.01 1xyg h GLU 150 Ca 0.30 -0.05 -0.25 0.00 0.34 0.00 0.00 59.36 59.69 1xyg h GLU 150 Cb 0.57 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1xyg h GLU 150 CO -0.91 0.59 -1.06 -0.44 -1.16 0.00 0.00 179.01 176.03 1xyg h ASP 151 N 0.91 0.57 -0.61 1.42 3.32 -1.63 -3.29 116.42 117.10 1xyg h ASP 151 Ca 0.31 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1xyg h ASP 151 Cb 0.08 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1xyg h ASP 151 CO -0.09 1.32 0.40 0.40 -1.72 0.00 0.00 179.24 179.54 1xyg h ILE 152 N 0.21 1.16 -0.75 0.35 2.04 -0.40 -2.81 117.51 117.31 1xyg h ILE 152 Ca -0.11 -0.31 0.15 0.00 1.00 0.00 0.00 64.86 65.59 1xyg h ILE 152 Cb 1.72 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 1xyg h ILE 152 CO 0.18 0.16 0.50 0.07 0.00 0.00 0.00 178.15 179.07 1xyg h LYS 153 N 0.83 0.38 -0.47 2.37 2.10 -1.31 -2.09 116.57 118.38 1xyg h LYS 153 Ca 0.22 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 1xyg h LYS 153 Cb -0.08 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.16 1xyg h LYS 153 CO -0.05 0.25 0.00 0.36 -2.00 0.00 0.00 179.45 178.02 1xyg n LYS 154 N -4.47 3.55 -3.55 0.07 2.85 -1.08 -4.48 118.16 111.05 1xyg n LYS 154 Ca 0.14 -2.78 -0.30 0.00 -1.05 0.00 0.00 58.31 54.32 1xyg n LYS 154 Cb 0.54 -1.84 -0.04 0.00 -0.65 0.00 0.00 35.03 33.05 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 -2.14 3.73 -0.24 0.58 0.00 -0.79 -5.01 121.76 117.90 1xyg s ALA 155 Ca 0.44 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.82 1xyg s ALA 155 Cb 0.31 -2.18 -0.19 0.00 0.00 0.00 0.00 23.12 21.07 1xyg s ALA 155 CO 0.17 0.46 -0.12 -2.13 0.00 0.00 0.00 175.76 174.14 1xyg n ARG 156 N -0.45 0.67 -4.08 0.00 0.63 -1.26 -4.88 116.66 107.29 1xyg n ARG 156 Ca -0.02 0.16 -0.33 0.00 -0.92 0.00 0.00 57.85 56.73 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 -6.53 2.46 -0.10 6.15 2.96 -1.26 0.64 118.68 123.01 1xyg s LEU 157 Ca -0.32 -0.73 0.02 0.00 -0.22 0.00 0.00 54.13 52.88 1xyg s LEU 157 Cb 0.08 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.23 1xyg s LEU 157 CO 0.64 -0.04 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.77 1xyg s VAL 158 N 1.29 2.73 -0.48 1.68 1.01 0.78 -2.50 120.40 124.91 1xyg s VAL 158 Ca 0.03 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 1xyg s VAL 158 Cb -0.14 -2.09 0.05 0.00 0.00 0.00 0.00 36.38 34.19 1xyg s VAL 158 CO -0.10 0.55 0.61 0.00 0.00 0.00 0.00 175.10 176.16 1xyg s ALA 159 N 0.05 3.38 0.06 5.51 0.00 -0.51 -0.57 121.76 129.67 1xyg s ALA 159 Ca -0.07 -1.59 -0.31 0.00 0.00 0.00 0.00 51.96 49.99 1xyg s ALA 159 Cb -0.15 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 1xyg s ALA 159 CO 0.05 -1.92 1.45 1.21 0.00 0.00 0.00 175.76 176.55 1xyg s ASN 160 N 2.44 6.79 1.04 0.00 2.47 0.71 -0.41 114.94 127.98 1xyg s ASN 160 Ca 0.17 2.27 -0.12 0.00 0.42 0.00 0.00 52.86 55.60 1xyg s ASN 160 Cb -0.18 -2.57 0.20 0.00 -1.45 0.00 0.00 41.25 37.26 1xyg s ASN 160 CO 0.14 -0.73 1.03 -2.65 -3.72 0.00 0.00 177.10 171.17 1xyg n PRO 161 N 4.87 -1.36 -1.82 0.43 -0.02 -1.26 -4.70 135.00 131.13 1xyg n PRO 161 Ca 0.13 -0.35 -0.29 0.00 -2.02 0.00 0.00 63.50 60.97 1xyg n PRO 161 Cb 0.42 -2.25 0.11 0.00 -0.02 0.00 0.00 33.50 31.76 1xyg n PRO 161 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1xyg s GLY 162 N -2.49 1.60 0.01 -1.23 0.00 -1.26 -4.77 107.32 99.18 1xyg s GLY 162 Ca 0.67 -0.66 -0.22 0.00 0.00 0.00 0.00 44.72 44.51 1xyg s GLY 162 CO 0.62 -0.14 1.03 0.00 0.00 0.00 0.00 173.10 174.61 1xyg h TYR 164 N -1.01 -0.24 -0.89 0.00 0.05 -1.95 -1.72 116.97 111.21 1xyg h TYR 164 Ca -0.08 0.03 0.17 0.00 0.05 0.00 0.00 58.73 58.91 1xyg h TYR 164 Cb 0.59 0.16 -0.07 0.00 1.01 0.00 0.00 36.73 38.43 1xyg h TYR 164 CO 0.03 -0.18 0.58 -1.35 -1.05 0.00 0.00 178.16 176.19 1xyg h PRO 165 N -0.02 0.53 -0.35 4.88 0.11 -1.91 -1.57 132.00 133.67 1xyg h PRO 165 Ca 0.18 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.23 1xyg h PRO 165 Cb 0.30 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 1xyg h PRO 165 CO -0.39 0.35 0.12 1.15 -0.21 0.00 0.00 178.00 179.02 1xyg h THR 166 N 0.55 1.20 0.00 -1.15 2.02 -1.11 -0.43 112.91 114.00 1xyg h THR 166 Ca 0.46 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1xyg h THR 166 Cb 0.94 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1xyg h THR 166 CO -0.20 0.23 -0.09 0.71 0.37 0.00 0.00 175.52 176.54 1xyg h THR 167 N 0.41 0.30 0.04 3.16 1.35 -1.13 -2.98 112.91 114.06 1xyg h THR 167 Ca 0.11 -0.57 -0.29 0.00 -0.55 0.00 0.00 66.41 65.11 1xyg h THR 167 Cb 0.24 1.44 -0.03 0.00 -1.73 0.00 0.00 68.15 68.06 1xyg h THR 167 CO -0.00 0.08 -1.59 -0.38 -0.25 0.00 0.00 175.52 173.38 1xyg n ILE 168 N -3.33 1.62 -0.06 6.82 5.41 -0.90 -4.41 119.36 124.51 1xyg n ILE 168 Ca -0.01 -0.26 -0.09 0.00 1.00 0.00 0.00 62.75 63.39 1xyg n ILE 168 Cb 0.28 -1.92 0.07 0.00 -0.71 0.00 0.00 39.64 37.35 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 -0.62 0.73 -0.53 0.38 4.20 -1.14 -2.61 115.11 115.51 1xyg h GLN 169 Ca -0.40 -0.35 0.09 0.00 0.06 0.00 0.00 58.65 58.06 1xyg h GLN 169 Cb 1.58 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.28 1xyg h GLN 169 CO -0.12 0.96 0.11 -0.07 -0.67 0.00 0.00 178.83 179.04 1xyg h LEU 170 N 0.61 0.00 0.14 1.46 3.38 -1.75 -0.12 115.31 119.03 1xyg h LEU 170 Ca 0.06 0.10 -0.27 0.00 0.09 0.00 0.00 57.88 57.86 1xyg h LEU 170 Cb 0.87 0.13 0.03 0.00 0.09 0.00 0.00 40.66 41.78 1xyg h LEU 170 CO 0.08 0.02 -1.13 1.55 0.09 0.00 0.00 178.44 179.05 1xyg h PRO 171 N 0.24 0.52 -0.04 1.13 0.13 -1.76 -3.39 132.00 128.83 1xyg h PRO 171 Ca 0.27 -0.75 -0.21 0.00 -0.87 0.00 0.00 66.00 64.45 1xyg h PRO 171 Cb 0.38 0.26 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 1xyg h PRO 171 CO -0.35 1.34 -0.84 -0.07 -0.23 0.00 0.00 178.00 177.85 1xyg h LEU 172 N 0.07 0.52 -0.01 1.56 3.38 -1.28 -3.31 115.31 116.25 1xyg h LEU 172 Ca -0.18 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.44 1xyg h LEU 172 Cb 1.84 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.40 1xyg h LEU 172 CO 0.22 1.15 -0.15 0.58 0.09 0.00 0.00 178.44 180.32 1xyg h VAL 173 N 0.26 0.63 -0.97 1.22 2.07 -1.21 0.31 116.25 118.56 1xyg h VAL 173 Ca -0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1xyg h VAL 173 Cb 1.44 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 1xyg h VAL 173 CO 0.14 0.00 0.64 -0.65 0.02 0.00 0.00 177.57 177.73 1xyg h PRO 174 N -0.25 1.24 -0.51 1.57 0.11 -1.77 -0.01 132.00 132.39 1xyg h PRO 174 Ca 0.05 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 1xyg h PRO 174 Cb 0.32 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1xyg h PRO 174 CO -0.15 0.82 -0.14 -0.07 -0.21 0.00 0.00 178.00 178.25 1xyg h LEU 175 N 1.28 0.98 -0.26 2.35 3.38 -1.55 -2.22 115.31 119.28 1xyg h LEU 175 Ca 0.37 -0.33 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 1xyg h LEU 175 Cb -0.08 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.40 1xyg h LEU 175 CO -0.10 1.11 -0.60 -0.07 0.09 0.00 0.00 178.44 178.88 1xyg h LEU 176 N 0.86 0.97 -1.52 1.67 3.38 -0.55 -0.10 115.31 120.02 1xyg h LEU 176 Ca 0.13 -0.56 0.01 0.00 0.09 0.00 0.00 57.88 57.55 1xyg h LEU 176 Cb 0.70 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1xyg h LEU 176 CO 0.05 1.35 0.32 0.50 0.09 0.00 0.00 178.44 180.76 1xyg h LYS 177 N 0.64 0.64 -0.40 1.13 3.64 -0.92 -0.72 116.57 120.58 1xyg h LYS 177 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1xyg h LYS 177 Cb 1.22 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1xyg h LYS 177 CO 0.13 0.42 0.00 0.00 -2.27 0.00 0.00 179.45 177.73 1xyg n ALA 178 N -2.46 2.44 -3.34 5.00 0.00 -0.84 -4.93 120.51 116.38 1xyg n ALA 178 Ca 0.04 -0.77 -0.24 0.00 0.00 0.00 0.00 53.44 52.48 1xyg n ALA 178 Cb 0.06 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 18.54 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 0.80 -4.57 0.10 0.00 3.02 -0.28 -4.86 115.26 109.46 1xyg n ASN 179 Ca 0.16 -0.41 0.12 0.00 -0.03 0.00 0.00 54.58 54.41 1xyg n ASN 179 Cb 0.39 -3.73 0.12 0.00 -0.61 0.00 0.00 39.78 35.96 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 -1.25 0.00 -8.28 3.41 3.38 -1.27 -3.44 115.31 107.87 1xyg h LEU 180 Ca -0.48 -0.10 -0.31 0.00 0.09 0.00 0.00 57.88 57.08 1xyg h LEU 180 Cb 1.32 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.87 1xyg h LEU 180 CO 0.56 0.05 -0.74 0.27 0.09 0.00 0.00 178.44 178.67 1xyg s ILE 181 N -3.24 0.75 0.67 1.22 -4.36 -1.25 -0.99 121.20 113.99 1xyg s ILE 181 Ca 0.04 -1.25 -0.11 0.00 -0.26 0.00 0.00 60.65 59.07 1xyg s ILE 181 Cb 0.11 -0.87 -0.01 0.00 1.25 0.00 0.00 42.46 42.94 1xyg s ILE 181 CO 0.73 -0.39 1.05 -0.54 0.24 0.00 0.00 174.94 176.04 1xyg s LYS 182 N -1.88 3.17 -0.01 0.37 1.02 0.38 -4.70 119.74 118.09 1xyg s LYS 182 Ca -0.05 0.90 0.22 0.00 0.02 0.00 0.00 55.97 57.07 1xyg s LYS 182 Cb -0.08 -2.02 0.65 0.00 -0.52 0.00 0.00 37.83 35.86 1xyg s LYS 182 CO 0.01 -0.91 1.55 -2.39 -0.92 0.00 0.00 175.35 172.68 1xyg n HIS 183 N -2.94 1.02 -4.05 3.18 1.44 -1.26 -4.67 115.22 107.94 1xyg n HIS 183 Ca 0.07 -0.51 -0.27 0.00 -2.01 0.00 0.00 57.72 55.00 1xyg n HIS 183 Cb 0.54 -0.02 -0.05 0.00 0.12 0.00 0.00 29.99 30.57 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 -1.08 2.99 -1.45 -1.40 8.01 -1.26 -4.51 118.70 120.00 1xyg s GLU 184 Ca 0.49 -0.77 -0.10 0.00 0.01 0.00 0.00 54.97 54.60 1xyg s GLU 184 Cb 0.26 -2.73 0.04 0.00 -4.31 0.00 0.00 34.13 27.40 1xyg s GLU 184 CO 0.32 0.52 0.98 0.09 0.01 0.00 0.00 175.26 177.18 1xyg n ASN 185 N -0.14 -5.59 -4.59 -0.19 3.02 -1.26 -4.65 115.26 101.86 1xyg n ASN 185 Ca -0.08 -0.58 -0.43 0.00 -0.03 0.00 0.00 54.58 53.46 1xyg n ASN 185 Cb 0.54 -4.44 -0.04 0.00 -0.61 0.00 0.00 39.78 35.22 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 -3.26 4.53 -0.19 2.41 1.01 -1.26 -4.66 121.20 119.78 1xyg s ILE 186 Ca 0.57 0.99 -0.05 0.00 0.00 0.00 0.00 60.65 62.16 1xyg s ILE 186 Cb -0.27 -4.38 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 1xyg s ILE 186 CO 0.70 -0.67 -0.01 -0.63 0.00 0.00 0.00 174.94 174.33 1xyg s ILE 187 N 3.60 3.95 -0.21 2.92 1.01 -0.54 -2.00 121.20 129.93 1xyg s ILE 187 Ca 0.38 -0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.70 1xyg s ILE 187 Cb -0.11 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.61 1xyg s ILE 187 CO 0.22 0.45 -0.13 -0.63 0.00 0.00 0.00 174.94 174.85 1xyg s ILE 188 N 0.80 2.50 -0.43 2.92 1.01 0.12 -0.29 121.20 127.83 1xyg s ILE 188 Ca 0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.66 1xyg s ILE 188 Cb -0.14 -2.15 0.11 0.00 0.01 0.00 0.00 42.46 40.28 1xyg s ILE 188 CO 0.02 0.40 0.26 -0.62 0.00 0.00 0.00 174.94 175.00 1xyg s ASP 189 N 1.32 5.46 0.16 3.58 -1.08 -0.64 -0.93 116.67 124.54 1xyg s ASP 189 Ca 0.03 -1.94 0.04 0.00 -0.52 0.00 0.00 52.55 50.16 1xyg s ASP 189 Cb -0.15 -1.91 -0.04 0.00 -1.46 0.00 0.00 42.92 39.36 1xyg s ASP 189 CO -0.09 -0.60 0.22 0.00 0.52 0.00 0.00 175.17 175.23 1xyg s ALA 190 N 1.25 3.81 0.02 3.66 0.00 -0.48 -1.79 121.76 128.23 1xyg s ALA 190 Ca 0.07 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1xyg s ALA 190 Cb -0.24 -1.61 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 1xyg s ALA 190 CO -0.02 0.52 -0.10 0.15 0.00 0.00 0.00 175.76 176.31 1xyg s LYS 191 N -3.19 0.72 -0.01 0.00 3.01 0.99 -0.66 119.74 120.59 1xyg s LYS 191 Ca 0.33 -0.53 -0.10 0.00 -1.01 0.00 0.00 55.97 54.65 1xyg s LYS 191 Cb -0.11 -0.67 0.01 0.00 -1.01 0.00 0.00 37.83 36.06 1xyg s LYS 191 CO 0.26 0.17 0.22 0.45 0.51 0.00 0.00 175.35 176.96 1xyg s SER 192 N -0.77 -0.09 0.66 2.83 0.15 -0.34 -1.28 113.70 114.86 1xyg s SER 192 Ca 0.00 -0.02 -0.14 0.00 0.70 0.00 0.00 55.95 56.49 1xyg s SER 192 Cb -0.06 0.28 -0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1xyg s SER 192 CO 0.00 -0.37 1.10 -0.83 1.20 0.00 0.00 173.24 174.34 1xyg s GLY 193 N -1.19 2.08 0.05 9.45 0.00 0.28 -0.14 107.32 117.83 1xyg s GLY 193 Ca -0.13 0.47 0.14 0.00 0.00 0.00 0.00 44.72 45.20 1xyg s GLY 193 CO 0.02 0.81 1.45 1.55 0.00 0.00 0.00 173.10 176.94 1xyg n VAL 194 N -2.49 1.09 0.29 1.40 3.14 0.23 -2.76 118.33 119.24 1xyg n VAL 194 Ca 0.10 0.29 0.16 0.00 -2.96 0.00 0.00 64.34 61.92 1xyg n VAL 194 Cb 0.52 -1.10 0.91 0.00 -1.06 0.00 0.00 33.84 33.11 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 0.63 6.55 4.64 -1.55 0.13 113.55 123.95 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 0.03 0.00 1.23 -0.87 0.00 0.00 176.83 177.22 1xyg h GLY 196 N 0.24 0.00 1.58 -0.77 0.00 -1.75 -2.03 103.07 100.34 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 -0.05 0.00 0.00 0.00 0.00 176.54 176.49 1xyg n ALA 197 N -1.83 2.55 0.00 3.60 0.00 0.03 -5.03 120.51 119.83 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 0.20 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.71 0.81 0.00 0.00 -0.77 -4.56 105.19 101.33 1xyg n GLY 198 Ca 0.11 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.50 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 2.03 -1.71 1.61 0.63 -1.26 -4.92 116.66 112.31 1xyg n ARG 199 Ca 0.00 -1.59 -0.43 0.00 -0.92 0.00 0.00 57.85 54.91 1xyg n ARG 199 Cb 0.00 -1.39 -0.03 0.00 0.45 0.00 0.00 32.46 31.49 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 1.25 1.23 3.58 5.14 0.00 -1.26 -4.85 105.19 110.27 1xyg n GLY 200 Ca 0.16 0.56 -0.33 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 s ALA 201 N 0.51 2.34 -0.04 4.61 0.00 -1.26 -4.93 121.76 122.99 1xyg s ALA 201 Ca 0.71 -2.42 0.06 0.00 0.00 0.00 0.00 51.96 50.31 1xyg s ALA 201 Cb -0.57 -4.66 -0.02 0.00 0.00 0.00 0.00 23.12 17.86 1xyg s ALA 201 CO 0.42 -4.54 -0.20 0.15 0.00 0.00 0.00 175.76 171.59 1xyg s LYS 202 N 5.68 2.36 0.22 0.00 1.02 -1.26 -5.03 119.74 122.73 1xyg s LYS 202 Ca 0.63 -0.81 -0.09 0.00 0.02 0.00 0.00 55.97 55.72 1xyg s LYS 202 Cb 0.01 -2.22 0.35 0.00 -0.52 0.00 0.00 37.83 35.44 1xyg s LYS 202 CO 0.11 0.57 1.66 1.49 -0.92 0.00 0.00 175.35 178.26 1xyg h GLU 203 N 5.50 0.14 -0.13 1.68 4.81 -2.00 -1.09 114.58 123.50 1xyg h GLU 203 Ca -0.43 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.83 1xyg h GLU 203 Cb 1.14 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1xyg h GLU 203 CO 0.49 0.09 0.18 0.00 -0.73 0.00 0.00 179.01 179.04 1xyg h ALA 204 N 1.59 1.63 -0.59 2.92 0.00 -1.98 -2.51 119.26 120.32 1xyg h ALA 204 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1xyg h ALA 204 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xyg h ALA 204 CO -0.54 -0.24 0.00 0.09 0.00 0.00 0.00 179.25 178.56 1xyg n ASN 205 N -3.61 4.13 -4.77 0.00 3.02 -0.41 -4.42 115.26 109.20 1xyg n ASN 205 Ca 0.00 -2.28 -0.34 0.00 -0.03 0.00 0.00 54.58 51.93 1xyg n ASN 205 Cb 0.28 -0.49 0.03 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.52 3.58 0.18 3.41 1.43 -0.95 -4.81 118.68 120.00 1xyg s LEU 206 Ca 0.45 2.15 -0.14 0.00 -1.03 0.00 0.00 54.13 55.56 1xyg s LEU 206 Cb 0.27 -4.57 0.17 0.00 0.03 0.00 0.00 46.19 42.09 1xyg s LEU 206 CO 0.24 -1.49 1.70 0.22 0.23 0.00 0.00 176.35 177.25 1xyg h TYR 207 N 0.62 0.07 -0.02 0.29 5.03 -1.93 -1.12 116.97 119.92 1xyg h TYR 207 Ca -0.49 0.03 0.00 0.00 2.58 0.00 0.00 58.73 60.86 1xyg h TYR 207 Cb 1.26 0.04 -0.00 0.00 1.55 0.00 0.00 36.73 39.58 1xyg h TYR 207 CO 0.52 -0.05 0.02 0.77 -1.32 0.00 0.00 178.16 178.10 1xyg h SER 208 N 0.17 0.00 0.36 -2.11 0.02 -1.94 -0.40 113.55 109.66 1xyg h SER 208 Ca 0.23 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.87 1xyg h SER 208 Cb 0.33 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 1xyg h SER 208 CO -0.34 0.00 -1.85 -0.62 -1.14 0.00 0.00 176.83 172.87 1xyg n GLU 209 N -3.71 0.66 -0.04 3.45 -0.58 -0.53 -4.59 120.64 115.30 1xyg n GLU 209 Ca -0.03 0.25 -0.21 0.00 -0.42 0.00 0.00 57.16 56.75 1xyg n GLU 209 Cb 0.10 -1.74 -0.13 0.00 -0.57 0.00 0.00 31.44 29.10 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 0.87 -3.19 -3.67 1.08 -0.91 -3.48 117.51 108.21 1xyg h ILE 210 Ca -0.35 -2.28 -0.58 0.00 -0.39 0.00 0.00 64.86 61.26 1xyg h ILE 210 Cb 2.04 2.45 0.13 0.00 -3.07 0.00 0.00 36.82 38.38 1xyg h ILE 210 CO 0.07 0.60 0.21 0.00 -0.69 0.00 0.00 178.15 178.34 1xyg n ALA 211 N -3.16 0.36 -3.54 1.87 0.00 -0.19 -3.60 120.51 112.25 1xyg n ALA 211 Ca -0.30 0.21 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 1xyg n ALA 211 Cb 0.84 -2.11 0.08 0.00 0.00 0.00 0.00 19.45 18.26 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 0.00 -7.54 0.00 0.00 -0.58 -1.26 -4.97 120.64 106.28 1xyg n GLU 212 Ca 0.09 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.65 1xyg n GLU 212 Cb 0.40 -5.81 0.00 0.00 -0.57 0.00 0.00 31.44 25.46 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 -1.80 0.53 3.26 0.62 0.00 -1.24 -5.13 105.19 101.44 1xyg n GLY 213 Ca -0.05 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 0.38 -0.05 -0.61 -4.36 -1.26 -3.98 121.20 109.31 1xyg s ILE 214 Ca 0.00 -1.99 -0.29 0.00 -0.26 0.00 0.00 60.65 58.11 1xyg s ILE 214 Cb 0.00 -2.50 0.11 0.00 1.25 0.00 0.00 42.46 41.32 1xyg s ILE 214 CO 0.00 -0.09 0.89 -0.94 0.24 0.00 0.00 174.94 175.04 1xyg s SER 215 N -3.24 -0.41 0.65 4.36 1.04 -1.22 -5.00 113.70 109.88 1xyg s SER 215 Ca 0.36 0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.93 1xyg s SER 215 Cb 0.07 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.61 1xyg s SER 215 CO 0.11 -0.54 0.97 -0.44 0.98 0.00 0.00 173.24 174.32 1xyg s SER 216 N -1.90 5.17 0.06 7.02 0.01 -1.26 -0.28 113.70 122.53 1xyg s SER 216 Ca 0.01 0.58 -0.26 0.00 1.31 0.00 0.00 55.95 57.59 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 -0.04 -1.35 0.73 -0.72 0.41 0.00 0.00 173.24 172.27 1xyg s TYR 217 N -3.13 -0.48 -1.39 2.43 1.13 -0.90 -4.80 117.35 110.20 1xyg s TYR 217 Ca 0.57 0.42 -0.10 0.00 -1.41 0.00 0.00 57.07 56.56 1xyg s TYR 217 Cb -0.11 0.53 0.02 0.00 -1.10 0.00 0.00 41.96 41.30 1xyg s TYR 217 CO 0.45 -0.69 1.15 0.41 -2.51 0.00 0.00 175.55 174.36 1xyg n GLY 218 N -0.09 -0.54 3.77 5.49 0.00 -1.26 -3.54 105.19 109.02 1xyg n GLY 218 Ca -0.14 0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.32 3.13 0.00 1.61 1.01 -1.26 -3.87 120.40 117.70 1xyg s VAL 219 Ca 0.59 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.59 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 0.75 0.16 0.00 0.41 0.00 0.00 0.00 175.10 176.42 1xyg n THR 220 N 0.44 0.00 -3.92 3.92 -1.04 -1.26 -4.72 114.28 107.70 1xyg n THR 220 Ca 0.02 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.76 1xyg n THR 220 Cb 0.45 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.79 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 1.60 -0.00 -2.82 0.52 -1.25 -4.89 118.95 112.10 1xyg s ARG 221 Ca 0.00 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 1xyg s ARG 221 Cb 0.00 -1.77 0.00 0.00 0.52 0.00 0.00 34.95 33.70 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 1.66 0.14 0.56 -0.53 2.46 -1.26 -4.69 115.29 113.63 1xyg s HIS 222 Ca 0.04 -0.02 0.26 0.00 0.47 0.00 0.00 55.06 55.80 1xyg s HIS 222 Cb -0.13 -0.10 1.41 0.00 -0.13 0.00 0.00 32.58 33.63 1xyg s HIS 222 CO -0.08 -0.01 1.78 0.00 -2.47 0.00 0.00 174.74 173.96 1xyg h ARG 223 N 6.16 0.00 0.00 2.88 3.08 -1.94 0.98 114.38 125.54 1xyg h ARG 223 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 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 0.00 0.45 -1.07 0.00 0.00 179.97 179.86 1xyg h HIS 224 N 0.00 0.00 0.11 3.04 3.86 -1.99 -3.36 115.15 116.81 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 0.71 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.13 1xyg h HIS 224 CO 0.00 0.00 -0.46 0.28 0.86 0.00 0.00 177.93 178.61 1xyg h VAL 225 N 0.00 0.10 -0.39 2.45 2.07 -1.21 0.38 116.25 119.65 1xyg h VAL 225 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1xyg h VAL 225 Cb 0.81 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1xyg h VAL 225 CO 0.00 0.00 0.26 1.55 0.02 0.00 0.00 177.57 179.40 1xyg h PRO 226 N -0.69 0.39 -0.33 1.57 0.13 -1.78 -0.23 132.00 131.06 1xyg h PRO 226 Ca 0.01 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 1xyg h PRO 226 Cb 0.71 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 1xyg h PRO 226 CO -0.26 0.26 -0.00 1.49 -0.23 0.00 0.00 178.00 179.25 1xyg h GLU 227 N 0.40 0.59 0.00 0.86 4.81 -1.59 -0.55 114.58 119.11 1xyg h GLU 227 Ca 0.16 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xyg h GLU 227 Cb 0.14 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1xyg h GLU 227 CO -0.04 0.72 -0.00 0.82 -0.73 0.00 0.00 179.01 179.78 1xyg h ILE 228 N 0.40 1.13 -0.33 2.32 2.04 -0.13 -2.89 117.51 120.06 1xyg h ILE 228 Ca 0.09 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 1xyg h ILE 228 Cb 0.45 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1xyg h ILE 228 CO 0.02 0.10 -0.06 -0.33 0.00 0.00 0.00 178.15 177.89 1xyg h GLU 229 N -0.18 0.53 0.01 2.37 5.08 -1.05 -2.15 114.58 119.20 1xyg h GLU 229 Ca -0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1xyg h GLU 229 Cb 0.17 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1xyg h GLU 229 CO 0.00 0.60 -0.02 0.37 -1.00 0.00 0.00 179.01 178.97 1xyg h GLN 230 N 0.50 -0.03 -0.50 2.33 4.15 -1.02 0.44 115.11 120.97 1xyg h GLN 230 Ca 0.10 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1xyg h GLN 230 Cb 0.41 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 1xyg h GLN 230 CO 0.02 -0.02 0.28 0.78 -1.93 0.00 0.00 178.83 177.95 1xyg h GLY 231 N -0.03 0.75 1.04 2.39 0.00 -1.30 -1.60 103.07 104.32 1xyg h GLY 231 Ca 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 1xyg h GLY 231 CO -0.01 0.32 -0.32 1.41 0.00 0.00 0.00 176.54 177.95 1xyg h LEU 232 N 0.67 0.87 -0.87 3.11 3.38 -1.23 -3.10 115.31 118.14 1xyg h LEU 232 Ca 0.18 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1xyg h LEU 232 Cb 0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1xyg h LEU 232 CO -0.03 1.15 0.53 0.28 0.09 0.00 0.00 178.44 180.47 1xyg h SER 233 N 0.60 1.04 -0.99 -0.43 0.02 0.02 -0.34 113.55 113.47 1xyg h SER 233 Ca 0.06 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1xyg h SER 233 Cb 0.90 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 63.13 1xyg h SER 233 CO 0.08 0.79 0.65 0.44 -1.14 0.00 0.00 176.83 177.65 1xyg h ASP 234 N 1.19 1.11 0.02 3.07 3.32 -1.25 0.19 116.42 124.08 1xyg h ASP 234 Ca 0.31 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.17 1xyg h ASP 234 Cb -0.07 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.23 1xyg h ASP 234 CO -0.06 0.79 -0.67 0.58 -1.72 0.00 0.00 179.24 178.16 1xyg h VAL 235 N 1.31 1.43 0.00 -1.35 2.07 -1.39 -3.24 116.25 115.08 1xyg h VAL 235 Ca 0.38 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1xyg h VAL 235 Cb -0.09 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1xyg h VAL 235 CO -0.10 0.63 0.00 0.00 0.02 0.00 0.00 177.57 178.12 1xyg n ALA 236 N -2.60 2.08 -3.81 1.67 0.00 -0.18 -4.65 120.51 113.01 1xyg n ALA 236 Ca -0.11 -0.07 -0.30 0.00 0.00 0.00 0.00 53.44 52.97 1xyg n ALA 236 Cb 0.71 -1.39 0.02 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.61 -4.88 -3.54 0.00 6.02 0.66 -4.93 117.38 109.11 1xyg n GLN 237 Ca 0.05 0.57 -0.16 0.00 -0.01 0.00 0.00 57.00 57.46 1xyg n GLN 237 Cb 0.29 -5.41 -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 -3.17 -0.59 -0.02 1.08 0.15 -1.15 -5.07 113.70 104.94 1xyg s SER 238 Ca 0.62 0.69 -0.30 0.00 0.70 0.00 0.00 55.95 57.66 1xyg s SER 238 Cb -0.31 0.54 -0.06 0.00 -1.71 0.00 0.00 66.02 64.48 1xyg s SER 238 CO 0.76 -0.51 1.64 -0.75 1.20 0.00 0.00 173.24 175.58 1xyg s LYS 239 N -1.05 4.19 -0.19 5.44 2.47 -1.26 -4.37 119.74 124.97 1xyg s LYS 239 Ca -0.08 2.21 -0.07 0.00 -1.56 0.00 0.00 55.97 56.47 1xyg s LYS 239 Cb -0.01 -3.87 -0.04 0.00 -1.46 0.00 0.00 37.83 32.46 1xyg s LYS 239 CO 0.07 -0.80 0.06 0.08 0.16 0.00 0.00 175.35 174.92 1xyg s VAL 240 N 3.59 4.68 -0.23 4.02 1.01 -1.26 -5.02 120.40 127.18 1xyg s VAL 240 Ca 0.73 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.62 1xyg s VAL 240 Cb -0.35 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 32.93 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 0.58 2.97 0.42 3.92 2.01 -1.26 -4.76 115.64 119.52 1xyg s THR 241 Ca 0.03 -0.83 0.07 0.00 0.31 0.00 0.00 61.69 61.27 1xyg s THR 241 Cb -0.13 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1xyg s THR 241 CO 0.01 0.31 0.25 0.68 -0.69 0.00 0.00 174.62 175.18 1xyg s VAL 242 N 1.38 2.34 -0.19 3.82 -7.23 -1.26 -4.50 120.40 114.75 1xyg s VAL 242 Ca 0.03 -1.59 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 1xyg s VAL 242 Cb -0.15 -2.92 -0.00 0.00 0.56 0.00 0.00 36.38 33.86 1xyg s VAL 242 CO -0.05 0.00 -0.11 -0.55 -0.31 0.00 0.00 175.10 174.08 1xyg s SER 243 N -3.99 3.90 -0.11 4.85 0.15 -0.85 -5.03 113.70 112.62 1xyg s SER 243 Ca 0.42 -0.45 -0.01 0.00 0.70 0.00 0.00 55.95 56.60 1xyg s SER 243 Cb 0.02 -1.64 0.03 0.00 -1.71 0.00 0.00 66.02 62.72 1xyg s SER 243 CO 0.24 0.02 -0.02 0.12 1.20 0.00 0.00 173.24 174.80 1xyg s PHE 244 N 1.19 1.05 -0.24 3.44 5.36 -1.26 0.16 117.98 127.68 1xyg s PHE 244 Ca 0.02 -0.53 0.01 0.00 -0.96 0.00 0.00 56.93 55.47 1xyg s PHE 244 Cb -0.14 -1.01 0.06 0.00 -0.34 0.00 0.00 43.02 41.59 1xyg s PHE 244 CO -0.04 -0.45 -0.07 0.99 -1.46 0.00 0.00 175.22 174.19 1xyg s THR 245 N 1.85 1.65 0.60 0.12 2.01 -0.10 -4.49 115.64 117.28 1xyg s THR 245 Ca 0.04 -1.30 -0.15 0.00 0.31 0.00 0.00 61.69 60.59 1xyg s THR 245 Cb -0.13 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 1xyg s THR 245 CO -0.07 -0.08 1.05 -2.84 -0.69 0.00 0.00 174.62 171.99 1xyg s PRO 246 N 1.34 3.35 -0.03 4.92 0.02 -1.23 -1.38 135.00 141.98 1xyg s PRO 246 Ca -0.06 1.10 -0.02 0.00 0.02 0.00 0.00 61.00 62.04 1xyg s PRO 246 Cb -0.19 -2.04 0.01 0.00 0.02 0.00 0.00 34.50 32.30 1xyg s PRO 246 CO -0.06 -0.78 0.06 -1.01 -0.33 0.00 0.00 177.00 174.88 1xyg s HIS 247 N -2.62 -0.06 -0.25 6.54 3.76 0.17 -2.13 115.29 120.70 1xyg s HIS 247 Ca 0.61 0.19 -0.17 0.00 -0.15 0.00 0.00 55.06 55.54 1xyg s HIS 247 Cb -0.15 -0.04 -0.03 0.00 1.11 0.00 0.00 32.58 33.47 1xyg s HIS 247 CO 0.40 -0.06 0.47 -1.17 -0.85 0.00 0.00 174.74 173.53 1xyg s LEU 248 N 0.38 4.07 0.00 0.89 2.96 0.62 -1.20 118.68 126.41 1xyg s LEU 248 Ca -0.03 0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 54.29 1xyg s LEU 248 Cb -0.04 -2.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.00 1xyg s LEU 248 CO -0.01 -0.23 0.29 -0.04 -1.32 0.00 0.00 176.35 175.04 1xyg s MET 249 N 2.08 3.64 -1.44 1.98 -1.94 0.80 -3.45 119.30 120.97 1xyg s MET 249 Ca 0.20 0.02 -0.14 0.00 -1.71 0.00 0.00 55.69 54.06 1xyg s MET 249 Cb -0.16 -3.10 0.03 0.00 2.01 0.00 0.00 34.83 33.62 1xyg s MET 249 CO 0.09 0.65 2.24 -0.35 -0.01 0.00 0.00 175.02 177.65 1xyg n PRO 250 N 1.27 2.82 -3.46 2.03 -0.04 -1.26 -3.46 135.00 132.90 1xyg n PRO 250 Ca -0.12 -2.55 -0.12 0.00 -0.04 0.00 0.00 63.50 60.67 1xyg n PRO 250 Cb 0.53 -3.25 -0.02 0.00 -0.04 0.00 0.00 33.50 30.71 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 3.24 1.29 -0.07 0.54 0.23 -1.26 -4.85 119.30 118.42 1xyg s MET 251 Ca 0.48 -0.52 -0.02 0.00 -1.03 0.00 0.00 55.69 54.60 1xyg s MET 251 Cb 0.14 0.58 -0.01 0.00 -1.53 0.00 0.00 34.83 34.01 1xyg s MET 251 CO -0.08 -0.56 0.09 0.82 -2.03 0.00 0.00 175.02 173.26 1xyg h ILE 252 N 2.03 0.00 -2.23 3.16 2.04 -1.92 0.69 117.51 121.27 1xyg h ILE 252 Ca -0.33 -0.75 -0.53 0.00 1.00 0.00 0.00 64.86 64.25 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 0.00 178.15 177.82 1xyg s ARG 253 N -1.68 2.66 0.00 2.37 0.52 -1.26 -1.80 118.95 119.75 1xyg s ARG 253 Ca -0.01 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.01 1xyg s ARG 253 Cb 0.00 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 33.07 1xyg s ARG 253 CO 0.03 0.39 0.00 0.41 0.02 0.00 0.00 175.30 176.15 1xyg n GLY 254 N -1.01 3.49 3.33 -3.53 0.00 -1.26 -4.60 105.19 101.60 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 -4.98 0.50 -0.01 1.61 0.00 -0.27 -0.56 119.30 115.60 1xyg s MET 255 Ca 0.00 0.64 -0.00 0.00 0.00 0.00 0.00 55.69 56.32 1xyg s MET 255 Cb 0.00 0.22 0.01 0.00 0.00 0.00 0.00 34.83 35.06 1xyg s MET 255 CO 0.00 -0.07 0.01 -1.14 0.00 0.00 0.00 175.02 173.82 1xyg s GLN 256 N 0.38 -0.00 -0.15 4.11 0.74 -0.41 -1.79 119.66 122.54 1xyg s GLN 256 Ca -0.01 0.05 0.01 0.00 0.05 0.00 0.00 55.36 55.46 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 -0.01 -0.04 -0.19 -1.12 -0.55 0.00 0.00 175.29 173.38 1xyg s SER 257 N 0.25 3.39 -0.36 6.67 0.01 -0.37 -0.00 113.70 123.29 1xyg s SER 257 Ca -0.02 -0.53 -0.11 0.00 1.31 0.00 0.00 55.95 56.60 1xyg s SER 257 Cb -0.03 -1.50 0.02 0.00 0.21 0.00 0.00 66.02 64.72 1xyg s SER 257 CO -0.01 0.09 0.20 -0.89 0.41 0.00 0.00 173.24 173.04 1xyg s THR 258 N 0.78 4.55 -0.23 1.44 2.01 -0.74 -1.67 115.64 121.79 1xyg s THR 258 Ca -0.07 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.05 1xyg s THR 258 Cb -0.16 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1xyg s THR 258 CO -0.00 -0.19 0.07 -0.63 -0.69 0.00 0.00 174.62 173.18 1xyg s ILE 259 N 1.56 4.47 -0.38 1.82 1.01 0.20 -1.61 121.20 128.26 1xyg s ILE 259 Ca 0.02 -0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 1xyg s ILE 259 Cb -0.19 -3.07 0.03 0.00 0.01 0.00 0.00 42.46 39.24 1xyg s ILE 259 CO 0.06 0.36 0.22 -0.31 0.00 0.00 0.00 174.94 175.28 1xyg s TYR 260 N 1.30 3.25 0.25 3.97 2.02 0.60 -0.49 117.35 128.24 1xyg s TYR 260 Ca 0.05 -0.93 0.10 0.00 -0.37 0.00 0.00 57.07 55.92 1xyg s TYR 260 Cb -0.15 -2.48 -0.05 0.00 -0.40 0.00 0.00 41.96 38.89 1xyg s TYR 260 CO 0.04 -0.65 -0.17 0.14 -1.57 0.00 0.00 175.55 173.34 1xyg s VAL 261 N 1.57 2.14 -0.24 0.71 -7.23 -0.79 -1.47 120.40 115.08 1xyg s VAL 261 Ca 0.02 -2.31 -0.10 0.00 -1.81 0.00 0.00 61.98 57.78 1xyg s VAL 261 Cb -0.19 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 1xyg s VAL 261 CO 0.07 -0.48 0.15 -1.61 -0.31 0.00 0.00 175.10 172.93 1xyg s GLU 262 N -3.58 4.03 0.54 4.82 2.02 -1.26 -0.83 118.70 124.45 1xyg s GLU 262 Ca 0.27 -0.29 -0.17 0.00 0.02 0.00 0.00 54.97 54.80 1xyg s GLU 262 Cb -0.03 -3.52 -0.06 0.00 0.10 0.00 0.00 34.13 30.62 1xyg s GLU 262 CO 0.11 0.04 1.02 -1.64 0.02 0.00 0.00 175.26 174.82 1xyg s MET 263 N 1.11 3.66 0.68 1.61 -1.94 0.11 -0.47 119.30 124.06 1xyg s MET 263 Ca 0.07 1.12 -0.14 0.00 -1.71 0.00 0.00 55.69 55.04 1xyg s MET 263 Cb -0.14 -2.09 0.01 0.00 2.01 0.00 0.00 34.83 34.63 1xyg s MET 263 CO 0.05 -0.52 1.09 0.00 -0.01 0.00 0.00 175.02 175.63 1xyg s ALA 264 N -2.45 2.47 0.06 3.03 0.00 -0.16 -4.50 121.76 120.21 1xyg s ALA 264 Ca 0.62 0.42 -0.36 0.00 0.00 0.00 0.00 51.96 52.63 1xyg s ALA 264 Cb -0.13 -3.28 -0.16 0.00 0.00 0.00 0.00 23.12 19.54 1xyg s ALA 264 CO 0.31 -1.33 1.43 -2.30 0.00 0.00 0.00 175.76 173.87 1xyg n PRO 265 N -2.70 1.35 0.00 0.00 -0.02 -1.26 -0.98 135.00 131.39 1xyg n PRO 265 Ca 0.10 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1xyg n PRO 265 Cb 0.52 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.86 2.80 3.77 -1.23 0.00 -1.26 -5.01 105.19 107.12 1xyg n GLY 266 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.65 4.22 0.35 1.61 1.01 -0.15 -5.07 120.40 119.71 1xyg s VAL 267 Ca 0.00 1.88 0.09 0.00 0.00 0.00 0.00 61.98 63.95 1xyg s VAL 267 Cb 0.00 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.12 1xyg s VAL 267 CO 0.00 0.46 -0.01 -0.13 0.00 0.00 0.00 175.10 175.42 1xyg s ARG 268 N -1.29 2.01 0.42 2.72 0.52 -1.26 -4.76 118.95 117.30 1xyg s ARG 268 Ca 0.40 -1.81 0.11 0.00 -0.52 0.00 0.00 55.73 53.90 1xyg s ARG 268 Cb -0.24 -1.86 0.94 0.00 0.52 0.00 0.00 34.95 34.31 1xyg s ARG 268 CO 0.28 0.12 2.00 1.79 0.02 0.00 0.00 175.30 179.52 1xyg h THR 269 N 1.85 0.98 -0.77 0.02 1.35 -1.95 -0.79 112.91 113.61 1xyg h THR 269 Ca -0.43 -0.17 0.06 0.00 -0.55 0.00 0.00 66.41 65.32 1xyg h THR 269 Cb 1.25 0.43 -0.05 0.00 -1.73 0.00 0.00 68.15 68.05 1xyg h THR 269 CO 0.68 0.09 0.51 -0.33 -0.25 0.00 0.00 175.52 176.22 1xyg h GLU 270 N 0.50 0.81 -0.42 4.72 3.07 -1.98 -1.09 114.58 120.19 1xyg h GLU 270 Ca 0.24 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.97 1xyg h GLU 270 Cb 0.32 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1xyg h GLU 270 CO -0.07 0.53 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.57 1xyg h ASP 271 N 0.83 0.79 -0.57 1.42 3.32 -1.54 -1.03 116.42 119.64 1xyg h ASP 271 Ca 0.33 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1xyg h ASP 271 Cb 0.24 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1xyg h ASP 271 CO -0.11 0.95 0.30 -0.07 -1.72 0.00 0.00 179.24 178.59 1xyg h LEU 272 N 0.62 0.72 -0.32 1.55 3.38 -1.24 -1.26 115.31 118.76 1xyg h LEU 272 Ca 0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xyg h LEU 272 Cb 0.59 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1xyg h LEU 272 CO 0.04 0.62 0.19 -0.74 0.09 0.00 0.00 178.44 178.63 1xyg h HIS 273 N 0.77 0.42 -0.68 1.13 2.76 -1.06 -1.65 115.15 116.84 1xyg h HIS 273 Ca 0.20 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 1xyg h HIS 273 Cb 0.07 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 1xyg h HIS 273 CO -0.01 0.31 0.30 0.37 -1.30 0.00 0.00 177.93 177.60 1xyg h GLN 274 N 0.40 0.99 -0.61 5.26 5.75 -0.95 0.11 115.11 126.07 1xyg h GLN 274 Ca 0.11 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1xyg h GLN 274 Cb 0.02 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 1xyg h GLN 274 CO -0.02 0.81 0.32 0.37 -2.65 0.00 0.00 178.83 177.66 1xyg h GLN 275 N 0.95 0.85 -0.35 1.69 5.75 -0.99 0.31 115.11 123.31 1xyg h GLN 275 Ca 0.23 -0.11 -0.10 0.00 -0.15 0.00 0.00 58.65 58.53 1xyg h GLN 275 Cb 0.16 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1xyg h GLN 275 CO -0.02 0.66 -0.16 -0.07 -2.65 0.00 0.00 178.83 176.58 1xyg h LEU 276 N 0.82 0.75 -0.98 -2.39 3.38 -1.00 0.15 115.31 116.05 1xyg h LEU 276 Ca 0.21 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1xyg h LEU 276 Cb 0.06 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1xyg h LEU 276 CO -0.03 0.99 0.62 0.50 0.09 0.00 0.00 178.44 180.60 1xyg h LYS 277 N 0.52 1.30 -0.10 1.13 1.63 -0.51 -1.99 116.57 118.56 1xyg h LYS 277 Ca 0.08 -0.10 -0.07 0.00 -0.85 0.00 0.00 60.65 59.71 1xyg h LYS 277 Cb 0.70 -0.28 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1xyg h LYS 277 CO 0.05 0.89 -0.22 1.15 -3.45 0.00 0.00 179.45 177.87 1xyg h THR 278 N 1.33 1.39 0.00 1.00 2.02 -0.78 -1.09 112.91 116.79 1xyg h THR 278 Ca 0.35 -1.52 -0.02 0.00 0.77 0.00 0.00 66.41 65.99 1xyg h THR 278 Cb -0.11 2.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1xyg h THR 278 CO -0.07 0.44 -0.09 0.28 0.37 0.00 0.00 175.52 176.45 1xyg h SER 279 N -0.12 0.00 0.00 4.18 0.02 -0.75 -3.20 113.55 113.68 1xyg h SER 279 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xyg h SER 279 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1xyg h SER 279 CO 0.05 0.09 -0.01 -1.22 -1.14 0.00 0.00 176.83 174.60 1xyg n TYR 280 N -4.14 0.00 -0.35 3.45 4.01 -0.77 -4.82 117.16 114.54 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 0.17 -0.06 0.34 0.00 -0.31 0.00 0.00 39.34 39.49 1xyg n TYR 280 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1xyg h GLU 281 N 0.00 0.67 -0.61 -0.72 4.39 -1.19 -1.28 114.58 115.83 1xyg h GLU 281 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1xyg h GLU 281 Cb 0.62 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1xyg h GLU 281 CO 0.00 0.44 0.00 -0.25 -1.16 0.00 0.00 179.01 178.04 1xyg n ASP 282 N -4.82 4.20 -4.64 1.42 8.00 -1.26 -4.93 116.55 114.51 1xyg n ASP 282 Ca 0.25 -2.28 -0.41 0.00 0.71 0.00 0.00 54.79 53.06 1xyg n ASP 282 Cb 0.64 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 41.18 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 -1.52 4.16 0.11 -1.24 0.41 -0.49 -4.97 118.70 115.17 1xyg s GLU 283 Ca 0.46 0.66 -0.20 0.00 -0.41 0.00 0.00 54.97 55.47 1xyg s GLU 283 Cb 0.28 -3.63 -0.09 0.00 -1.78 0.00 0.00 34.13 28.91 1xyg s GLU 283 CO 0.25 -0.38 1.75 1.49 -0.49 0.00 0.00 175.26 177.88 1xyg h GLU 284 N 7.72 0.22 -0.00 1.61 4.57 -1.92 -3.27 114.58 123.51 1xyg h GLU 284 Ca -0.27 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1xyg h GLU 284 Cb 1.12 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1xyg h GLU 284 CO 0.79 0.17 -0.26 1.19 -1.18 0.00 0.00 179.01 179.73 1xyg n PHE 285 N -4.96 0.00 -4.04 0.92 3.72 -1.26 -4.73 117.46 107.11 1xyg n PHE 285 Ca -0.04 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.03 1xyg n PHE 285 Cb 0.04 -0.21 -0.15 0.00 -0.94 0.00 0.00 39.48 38.22 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 2.36 -0.17 -4.37 1.01 -1.23 -0.24 120.40 115.07 1xyg s VAL 286 Ca 0.21 -1.46 -0.05 0.00 0.00 0.00 0.00 61.98 60.69 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 0.56 0.05 -0.01 -0.54 0.00 0.00 0.00 175.10 175.15 1xyg s LYS 287 N 1.17 3.72 -0.32 2.72 -0.14 0.45 -4.69 119.74 122.64 1xyg s LYS 287 Ca -0.06 -0.49 -0.11 0.00 -1.36 0.00 0.00 55.97 53.95 1xyg s LYS 287 Cb -0.19 -3.01 -0.02 0.00 -1.68 0.00 0.00 37.83 32.93 1xyg s LYS 287 CO -0.05 0.19 0.20 0.08 -0.76 0.00 0.00 175.35 175.02 1xyg s VAL 288 N 0.51 5.09 0.67 3.17 1.01 -1.26 -1.27 120.40 128.32 1xyg s VAL 288 Ca -0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 1xyg s VAL 288 Cb -0.14 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1xyg s VAL 288 CO 0.02 0.08 1.05 -0.76 0.00 0.00 0.00 175.10 175.49 1xyg s LEU 289 N 1.70 3.11 1.21 3.92 1.43 -0.14 -4.97 118.68 124.93 1xyg s LEU 289 Ca 0.06 1.46 -0.16 0.00 -1.03 0.00 0.00 54.13 54.46 1xyg s LEU 289 Cb -0.17 -4.38 0.29 0.00 0.03 0.00 0.00 46.19 41.96 1xyg s LEU 289 CO 0.09 -1.24 1.02 -1.81 0.23 0.00 0.00 176.35 174.65 1xyg s ASP 290 N -4.02 0.71 0.19 2.29 1.01 -1.26 -4.80 116.67 110.80 1xyg s ASP 290 Ca 0.57 1.17 -0.30 0.00 0.71 0.00 0.00 52.55 54.70 1xyg s ASP 290 Cb -0.13 -1.78 -0.09 0.00 1.01 0.00 0.00 42.92 41.94 1xyg s ASP 290 CO 0.54 -4.32 1.31 -1.61 0.21 0.00 0.00 175.17 171.31 1xyg s GLU 291 N -4.81 4.38 0.00 8.23 2.02 -1.26 -2.84 118.70 124.42 1xyg s GLU 291 Ca 0.68 2.05 0.00 0.00 0.02 0.00 0.00 54.97 57.73 1xyg s GLU 291 Cb -0.19 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.84 1xyg s GLU 291 CO 0.61 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 176.04 1xyg n GLY 292 N 2.42 2.48 3.69 -1.39 0.00 -1.26 -4.99 105.19 106.13 1xyg n GLY 292 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.09 4.78 -0.24 1.61 1.01 -1.13 -5.02 120.40 118.32 1xyg s VAL 293 Ca 0.00 2.03 -0.18 0.00 0.00 0.00 0.00 61.98 63.83 1xyg s VAL 293 Cb 0.00 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1xyg s VAL 293 CO 0.00 -0.00 0.52 -0.69 0.00 0.00 0.00 175.10 174.93 1xyg s VAL 294 N 2.06 5.08 0.71 2.92 1.01 -1.26 -4.78 120.40 126.13 1xyg s VAL 294 Ca 0.48 0.92 -0.11 0.00 0.00 0.00 0.00 61.98 63.27 1xyg s VAL 294 Cb -0.18 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.38 1xyg s VAL 294 CO 0.17 0.12 1.06 -2.16 0.00 0.00 0.00 175.10 174.29 1xyg s PRO 295 N 2.08 2.85 -0.03 2.72 0.04 -1.26 -5.07 135.00 136.33 1xyg s PRO 295 Ca 0.22 0.95 0.02 0.00 0.04 0.00 0.00 61.00 62.23 1xyg s PRO 295 Cb -0.16 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.41 1xyg s PRO 295 CO 0.09 -1.16 -0.08 1.03 0.04 0.00 0.00 177.00 176.92 1xyg s ARG 296 N -5.04 0.89 0.53 4.56 0.52 -1.26 -5.01 118.95 114.14 1xyg s ARG 296 Ca 0.58 -0.26 0.23 0.00 -0.52 0.00 0.00 55.73 55.76 1xyg s ARG 296 Cb -0.14 -0.84 1.47 0.00 0.52 0.00 0.00 34.95 35.95 1xyg s ARG 296 CO 0.55 0.08 2.15 1.79 0.02 0.00 0.00 175.30 179.89 1xyg h THR 297 N 5.48 0.76 -0.57 0.02 1.35 -1.93 -0.64 112.91 117.39 1xyg h THR 297 Ca -0.33 -0.22 0.08 0.00 -0.55 0.00 0.00 66.41 65.38 1xyg h THR 297 Cb 1.17 1.13 -0.03 0.00 -1.73 0.00 0.00 68.15 68.69 1xyg h THR 297 CO 0.49 0.06 0.38 0.45 -0.25 0.00 0.00 175.52 176.65 1xyg h HIS 298 N 0.00 0.47 0.00 4.73 3.86 -1.95 -2.45 115.15 119.81 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 0.13 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1xyg h HIS 298 CO 0.00 0.24 0.00 0.09 0.86 0.00 0.00 177.93 179.12 1xyg n ASN 299 N -4.47 0.21 0.00 2.45 3.02 -0.25 -3.26 115.26 112.96 1xyg n ASN 299 Ca 0.09 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.17 1xyg n ASN 299 Cb 0.31 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 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 -1.71 0.00 -1.68 2.41 0.24 -0.96 -4.71 118.33 111.91 1xyg n VAL 300 Ca 0.05 -0.50 -0.54 0.00 -2.04 0.00 0.00 64.34 61.31 1xyg n VAL 300 Cb 0.26 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.58 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 1.41 -1.02 7.34 0.63 -1.01 -1.19 116.66 122.76 1xyg n ARG 301 Ca 0.00 0.52 -0.01 0.00 -0.92 0.00 0.00 57.85 57.44 1xyg n ARG 301 Cb 0.00 -2.23 -0.00 0.00 0.45 0.00 0.00 32.46 30.68 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 3.93 0.47 3.38 5.14 0.00 -1.26 -0.70 105.19 116.16 1xyg n GLY 302 Ca 0.24 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.55 1.85 -0.11 1.61 1.04 -0.33 -4.66 113.70 110.55 1xyg s SER 303 Ca 0.00 -1.53 0.16 0.00 0.48 0.00 0.00 55.95 55.05 1xyg s SER 303 Cb 0.00 0.32 0.65 0.00 0.10 0.00 0.00 66.02 67.09 1xyg s SER 303 CO 0.00 -0.84 1.54 -3.20 0.98 0.00 0.00 173.24 171.72 1xyg n ASN 304 N -0.91 4.39 -4.87 7.02 5.15 -1.26 -4.14 115.26 120.64 1xyg n ASN 304 Ca -0.01 -2.44 -0.31 0.00 -0.60 0.00 0.00 54.58 51.21 1xyg n ASN 304 Cb 0.65 -0.56 -0.05 0.00 -0.53 0.00 0.00 39.78 39.29 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 -1.90 3.42 -0.10 1.20 2.02 -1.26 -4.55 117.35 116.18 1xyg s TYR 305 Ca 0.46 1.01 0.01 0.00 -0.37 0.00 0.00 57.07 58.18 1xyg s TYR 305 Cb 0.30 -2.38 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 1xyg s TYR 305 CO 0.21 0.11 -0.13 0.00 -1.57 0.00 0.00 175.55 174.17 1xyg s HIS 307 N 1.07 2.86 0.05 0.00 3.76 -0.85 -0.42 115.29 121.76 1xyg s HIS 307 Ca -0.06 -0.23 0.01 0.00 -0.15 0.00 0.00 55.06 54.63 1xyg s HIS 307 Cb -0.15 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.76 1xyg s HIS 307 CO -0.02 0.11 -0.06 0.00 -0.85 0.00 0.00 174.74 173.92 1xyg s MET 308 N -0.33 0.56 0.02 1.40 0.23 -0.40 -1.10 119.30 119.68 1xyg s MET 308 Ca 0.04 -0.92 -0.13 0.00 -1.03 0.00 0.00 55.69 53.65 1xyg s MET 308 Cb -0.13 -0.12 0.02 0.00 -1.53 0.00 0.00 34.83 33.07 1xyg s MET 308 CO 0.02 -0.01 0.28 0.45 -2.03 0.00 0.00 175.02 173.73 1xyg s SER 309 N -2.07 -0.11 -0.03 -1.18 0.15 -0.45 -0.97 113.70 109.05 1xyg s SER 309 Ca -0.04 -0.12 0.06 0.00 0.70 0.00 0.00 55.95 56.55 1xyg s SER 309 Cb -0.04 0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 64.56 1xyg s SER 309 CO -0.02 -0.53 -0.20 -0.69 1.20 0.00 0.00 173.24 173.00 1xyg s VAL 310 N -2.02 2.58 0.04 4.45 1.01 -1.26 -1.52 120.40 123.68 1xyg s VAL 310 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1xyg s VAL 310 Cb -0.03 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1xyg s VAL 310 CO -0.00 0.56 -0.05 -0.36 0.00 0.00 0.00 175.10 175.25 1xyg s PHE 311 N -0.70 0.49 0.40 5.22 0.40 0.89 -4.28 117.98 120.41 1xyg s PHE 311 Ca 0.11 -0.70 -0.23 0.00 -0.60 0.00 0.00 56.93 55.52 1xyg s PHE 311 Cb -0.10 -0.33 -0.10 0.00 0.51 0.00 0.00 43.02 43.00 1xyg s PHE 311 CO 0.00 -0.20 0.98 -1.25 0.70 0.00 0.00 175.22 175.45 1xyg s PRO 312 N -2.35 4.26 0.19 0.24 0.04 -1.26 0.41 135.00 136.54 1xyg s PRO 312 Ca -0.06 1.27 -0.06 0.00 0.04 0.00 0.00 61.00 62.20 1xyg s PRO 312 Cb -0.04 -2.40 -0.06 0.00 0.04 0.00 0.00 34.50 32.04 1xyg s PRO 312 CO -0.03 -0.01 0.45 0.34 0.04 0.00 0.00 177.00 177.79 1xyg s ASP 313 N -1.89 6.52 0.44 6.66 -1.08 -0.60 -4.63 116.67 122.07 1xyg s ASP 313 Ca 0.59 0.69 0.12 0.00 -0.52 0.00 0.00 52.55 53.42 1xyg s ASP 313 Cb -0.15 -2.13 0.96 0.00 -1.46 0.00 0.00 42.92 40.14 1xyg s ASP 313 CO 0.19 -0.03 2.02 -0.09 0.52 0.00 0.00 175.17 177.78 1xyg h ARG 314 N 2.52 0.19 -6.26 4.34 2.43 -1.96 -3.40 114.38 112.24 1xyg h ARG 314 Ca -0.47 -0.03 -0.57 0.00 -0.81 0.00 0.00 59.98 58.11 1xyg h ARG 314 Cb 1.17 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.64 1xyg h ARG 314 CO 0.70 0.24 0.93 0.42 -1.51 0.00 0.00 179.97 180.75 1xyg s ILE 315 N -4.95 4.25 0.20 1.20 1.01 -1.26 -4.96 121.20 116.70 1xyg s ILE 315 Ca -0.06 1.46 -0.32 0.00 0.00 0.00 0.00 60.65 61.73 1xyg s ILE 315 Cb 0.16 -4.14 -0.15 0.00 0.01 0.00 0.00 42.46 38.35 1xyg s ILE 315 CO 0.71 -0.35 1.31 -0.81 0.00 0.00 0.00 174.94 175.81 1xyg n PRO 316 N 6.98 1.64 0.00 2.79 -0.04 -1.26 -1.70 135.00 143.41 1xyg n PRO 316 Ca 0.14 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 1xyg n PRO 316 Cb 0.46 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 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 2.19 1.58 3.82 0.55 0.00 -1.26 -5.05 105.19 107.03 1xyg n GLY 317 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.67 2.97 0.11 1.61 0.52 -0.69 0.10 118.95 122.90 1xyg s ARG 318 Ca 0.00 -0.89 0.02 0.00 -0.52 0.00 0.00 55.73 54.34 1xyg s ARG 318 Cb 0.00 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 1xyg s ARG 318 CO 0.00 0.46 -0.05 0.00 0.02 0.00 0.00 175.30 175.73 1xyg s ALA 319 N -1.85 1.03 -0.08 2.13 0.00 -0.01 -1.56 121.76 121.41 1xyg s ALA 319 Ca 0.32 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1xyg s ALA 319 Cb -0.10 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1xyg s ALA 319 CO 0.24 -0.25 -0.18 0.42 0.00 0.00 0.00 175.76 175.99 1xyg s ILE 320 N -3.63 1.63 -0.11 0.00 1.01 0.17 -1.89 121.20 118.38 1xyg s ILE 320 Ca 0.14 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1xyg s ILE 320 Cb 0.05 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 41.09 1xyg s ILE 320 CO -0.03 0.46 -0.23 -0.63 0.00 0.00 0.00 174.94 174.51 1xyg s ILE 321 N 0.50 2.01 -0.13 2.92 1.01 0.35 -0.08 121.20 127.79 1xyg s ILE 321 Ca -0.17 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.49 1xyg s ILE 321 Cb -0.17 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 1xyg s ILE 321 CO 0.06 0.55 -0.10 -0.63 0.00 0.00 0.00 174.94 174.82 1xyg s ILE 322 N 0.46 3.36 -0.06 2.92 1.01 -0.57 0.61 121.20 128.92 1xyg s ILE 322 Ca -0.16 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 59.93 1xyg s ILE 322 Cb -0.17 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 39.90 1xyg s ILE 322 CO 0.07 0.52 -0.02 -0.55 0.00 0.00 0.00 174.94 174.96 1xyg s SER 323 N 0.26 1.25 0.12 3.58 0.15 -0.67 -1.34 113.70 117.06 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 -0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 63.70 1xyg s SER 323 CO 0.04 -0.14 -0.17 0.68 1.20 0.00 0.00 173.24 174.86 1xyg s VAL 324 N 1.51 1.48 0.31 4.45 -7.23 -0.26 -1.23 120.40 119.44 1xyg s VAL 324 Ca -0.02 -1.64 -0.15 0.00 -1.81 0.00 0.00 61.98 58.37 1xyg s VAL 324 Cb -0.13 -1.51 0.02 0.00 0.56 0.00 0.00 36.38 35.32 1xyg s VAL 324 CO -0.03 -0.27 0.64 0.27 -0.31 0.00 0.00 175.10 175.40 1xyg s ILE 325 N -1.71 0.00 -0.36 -0.62 -4.36 -0.74 -2.02 121.20 111.39 1xyg s ILE 325 Ca 0.08 -1.19 -0.18 0.00 -0.26 0.00 0.00 60.65 59.10 1xyg s ILE 325 Cb -0.07 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.24 1xyg s ILE 325 CO 0.04 0.00 0.50 -0.62 0.24 0.00 0.00 174.94 175.10 1xyg s ASP 326 N -3.03 6.29 0.52 4.36 -1.08 -1.26 -1.11 116.67 121.36 1xyg s ASP 326 Ca 0.18 -0.13 0.27 0.00 -0.52 0.00 0.00 52.55 52.36 1xyg s ASP 326 Cb -0.04 -2.26 1.41 0.00 -1.46 0.00 0.00 42.92 40.57 1xyg s ASP 326 CO 0.11 -0.50 1.94 -0.55 0.52 0.00 0.00 175.17 176.68 1xyg h ASN 327 N 8.52 0.04 1.63 -0.34 -1.07 -1.91 -1.31 115.58 121.13 1xyg h ASN 327 Ca -0.28 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.09 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 0.02 -0.37 -0.07 0.07 0.00 0.00 177.43 177.85 1xyg h LEU 328 N 0.04 0.00 0.00 6.14 3.38 -1.92 -3.00 115.31 119.95 1xyg h LEU 328 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1xyg h LEU 328 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1xyg h LEU 328 CO -0.02 0.03 0.00 0.52 0.09 0.00 0.00 178.44 179.06 1xyg n VAL 329 N -2.96 0.00 0.31 1.22 0.31 -0.52 -2.12 118.33 114.56 1xyg n VAL 329 Ca 0.02 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.55 1xyg n VAL 329 Cb 0.55 -0.67 0.95 0.00 -0.91 0.00 0.00 33.84 33.77 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 0.74 116.57 122.81 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 -0.23 0.41 -3.45 0.00 0.00 179.45 176.18 1xyg n GLY 331 N -0.52 -1.14 0.00 5.01 0.00 -1.03 -4.35 105.19 103.17 1xyg n GLY 331 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.23 0.00 0.14 4.61 0.00 0.11 -2.75 120.51 121.38 1xyg n ALA 332 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.62 1xyg n ALA 332 Cb 0.32 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.34 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 0.15 -0.22 0.00 0.02 -1.37 -1.24 113.55 110.90 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 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1xyg h SER 333 CO 0.00 0.11 -0.01 1.23 -1.14 0.00 0.00 176.83 177.01 1xyg h GLY 334 N 0.18 0.43 1.52 -3.77 0.00 0.25 -1.91 103.07 99.78 1xyg h GLY 334 Ca 0.08 -0.33 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 1xyg h GLY 334 CO -0.01 0.30 -0.25 -1.61 0.00 0.00 0.00 176.54 174.97 1xyg h GLN 335 N 0.16 0.55 -0.39 4.80 4.15 -0.98 -0.71 115.11 122.69 1xyg h GLN 335 Ca 0.06 -0.22 0.02 0.00 0.77 0.00 0.00 58.65 59.29 1xyg h GLN 335 Cb 0.43 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 1xyg h GLN 335 CO 0.01 0.76 0.22 0.00 -1.93 0.00 0.00 178.83 177.89 1xyg h ALA 336 N 1.24 0.49 -0.41 3.38 0.00 -1.08 0.39 119.26 123.27 1xyg h ALA 336 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1xyg h ALA 336 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1xyg h ALA 336 CO 0.05 -0.13 -0.22 1.25 0.00 0.00 0.00 179.25 180.20 1xyg h LEU 337 N 0.44 0.85 -0.99 0.00 5.85 -1.13 -1.24 115.31 119.09 1xyg h LEU 337 Ca 0.16 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.63 1xyg h LEU 337 Cb 0.03 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 1xyg h LEU 337 CO -0.09 1.04 0.64 -0.61 -0.34 0.00 0.00 178.44 179.08 1xyg h GLN 338 N 0.72 1.14 -0.14 1.25 4.15 -0.34 0.26 115.11 122.15 1xyg h GLN 338 Ca 0.10 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 1xyg h GLN 338 Cb 0.75 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1xyg h GLN 338 CO 0.06 0.75 -0.27 -0.91 -1.93 0.00 0.00 178.83 176.53 1xyg h ASN 339 N 1.17 0.48 -0.44 -0.69 2.35 -0.59 -3.21 115.58 114.65 1xyg h ASN 339 Ca 0.43 -0.55 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 1xyg h ASN 339 Cb 0.15 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1xyg h ASN 339 CO -0.17 0.94 0.18 0.25 -1.65 0.00 0.00 177.43 176.98 1xyg h LEU 340 N 0.03 0.64 0.22 1.61 5.85 -0.74 -1.55 115.31 121.37 1xyg h LEU 340 Ca 0.01 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1xyg h LEU 340 Cb 0.86 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1xyg h LEU 340 CO 0.06 0.59 -0.51 0.78 -0.34 0.00 0.00 178.44 179.02 1xyg h ASN 341 N 0.70 -1.51 0.42 1.25 2.35 -0.96 -1.30 115.58 116.53 1xyg h ASN 341 Ca 0.17 0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 56.00 1xyg h ASN 341 Cb 0.16 0.54 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 1xyg h ASN 341 CO -0.01 -0.58 -0.32 0.16 -1.65 0.00 0.00 177.43 175.02 1xyg h ILE 342 N -0.81 1.10 -0.07 2.81 3.07 -1.57 0.39 117.51 122.44 1xyg h ILE 342 Ca -0.02 -1.16 -0.06 0.00 1.55 0.00 0.00 64.86 65.17 1xyg h ILE 342 Cb 0.78 1.65 -0.01 0.00 -0.27 0.00 0.00 36.82 38.97 1xyg h ILE 342 CO -0.23 0.32 -0.22 0.24 -1.05 0.00 0.00 178.15 177.21 1xyg h MET 343 N 0.00 0.11 -0.36 0.16 2.86 -0.79 -2.22 114.93 114.70 1xyg h MET 343 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1xyg h MET 343 Cb 0.62 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1xyg h MET 343 CO 0.04 0.34 0.00 1.28 1.06 0.00 0.00 176.91 179.63 1xyg n LEU 344 N -4.23 2.99 0.00 1.22 4.77 -0.54 -4.91 117.00 116.30 1xyg n LEU 344 Ca -0.02 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 1xyg n LEU 344 Cb 0.31 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1xyg n LEU 344 CO 0.38 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 1xyg n GLY 345 N 1.41 0.50 3.97 -0.72 0.00 -0.84 -5.06 105.19 104.46 1xyg n GLY 345 Ca 0.19 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 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 0.27 1.61 1.51 0.08 -4.97 117.35 117.14 1xyg s TYR 346 Ca 0.00 -0.04 -0.30 0.00 -1.01 0.00 0.00 57.07 55.72 1xyg s TYR 346 Cb 0.00 -1.86 -0.12 0.00 -0.11 0.00 0.00 41.96 39.86 1xyg s TYR 346 CO 0.00 0.13 1.50 -2.30 -1.11 0.00 0.00 175.55 173.77 1xyg n PRO 347 N -1.62 2.38 -0.35 -1.71 -0.02 -1.26 -3.68 135.00 128.75 1xyg n PRO 347 Ca -0.04 0.85 0.11 0.00 -2.02 0.00 0.00 63.50 62.40 1xyg n PRO 347 Cb 0.57 -2.57 0.30 0.00 -0.02 0.00 0.00 33.50 31.79 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 4.42 0.81 -0.02 -0.52 4.81 -1.89 -1.78 114.58 120.41 1xyg h GLU 348 Ca -0.46 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1xyg h GLU 348 Cb 1.25 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1xyg h GLU 348 CO 0.77 0.54 0.00 0.25 -0.73 0.00 0.00 179.01 179.83 1xyg n THR 349 N -4.71 0.02 -1.67 0.32 -2.24 -1.26 -4.68 114.28 100.06 1xyg n THR 349 Ca 0.22 -0.12 -0.49 0.00 -2.27 0.00 0.00 64.05 61.39 1xyg n THR 349 Cb 0.50 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.63 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 -0.45 0.32 -1.70 4.28 -1.04 -0.67 -1.18 114.28 113.84 1xyg n THR 350 Ca 0.20 -0.06 -0.18 0.00 -2.04 0.00 0.00 64.05 61.98 1xyg n THR 350 Cb 0.21 -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 3.92 1.29 0.35 3.41 0.00 -1.26 -4.85 105.19 108.05 1xyg n GLY 351 Ca 0.21 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.16 1.32 -1.57 0.99 4.77 -0.33 -4.80 117.00 115.23 1xyg n LEU 352 Ca -0.19 -2.21 0.07 0.00 -0.03 0.00 0.00 56.01 53.65 1xyg n LEU 352 Cb 0.60 -0.23 0.33 0.00 -2.33 0.00 0.00 43.42 41.79 1xyg n LEU 352 CO 0.27 0.55 0.77 0.18 -1.33 0.00 0.00 177.39 177.82 1xyg n LEU 353 N -0.72 4.65 -4.70 2.23 4.77 -1.25 -4.63 117.00 117.36 1xyg n LEU 353 Ca 0.09 -2.36 -0.44 0.00 -0.03 0.00 0.00 56.01 53.28 1xyg n LEU 353 Cb 0.69 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1xyg n LEU 353 CO 0.00 0.62 1.16 1.41 -1.33 0.00 0.00 177.39 179.25 1xyg n HIS 354 N 0.69 2.45 -3.32 -1.77 8.25 -1.26 -4.96 115.22 115.30 1xyg n HIS 354 Ca 0.23 0.30 -0.32 0.00 -0.26 0.00 0.00 57.72 57.67 1xyg n HIS 354 Cb 0.94 -2.54 -0.05 0.00 1.12 0.00 0.00 29.99 29.46 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 0.03 3.85 0.25 -0.41 -1.52 -1.26 -4.51 119.66 116.09 1xyg s GLN 355 Ca 0.70 0.38 -0.29 0.00 -1.95 0.00 0.00 55.36 54.20 1xyg s GLN 355 Cb -0.59 -2.58 -0.15 0.00 -0.22 0.00 0.00 33.01 29.47 1xyg s GLN 355 CO 0.45 0.26 1.01 -2.30 -0.25 0.00 0.00 175.29 174.46 1xyg n PRO 356 N -0.25 1.18 -3.05 2.91 -0.02 -1.26 -4.73 135.00 129.78 1xyg n PRO 356 Ca 0.01 0.42 -0.45 0.00 -2.02 0.00 0.00 63.50 61.46 1xyg n PRO 356 Cb 0.53 -1.79 -0.01 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.74 5.49 -0.03 2.45 2.96 0.13 -4.97 118.68 125.44 1xyg s LEU 357 Ca 0.63 -2.64 0.03 0.00 -0.22 0.00 0.00 54.13 51.93 1xyg s LEU 357 Cb -0.76 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 43.58 1xyg s LEU 357 CO 0.57 -0.79 -0.12 0.12 -1.32 0.00 0.00 176.35 174.81 1xyg s PHE 358 N 1.44 1.27 -2.00 5.38 2.19 -1.26 -4.89 117.98 120.11 1xyg s PHE 358 Ca 0.33 -0.34 0.25 0.00 0.33 0.00 0.00 56.93 57.50 1xyg s PHE 358 Cb -0.06 -0.88 1.52 0.00 -1.31 0.00 0.00 43.02 42.29 1xyg s PHE 358 CO -0.06 -0.13 1.88 -0.35 1.83 0.00 0.00 175.22 178.39