#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhg s LYS 2 N 0.00 4.24 -0.31 -0.72 1.02 -1.06 -4.99 119.74 117.91 1xhg s LYS 2 Ca 0.00 0.96 -0.01 0.00 0.02 0.00 0.00 55.97 56.94 1xhg s LYS 2 Cb 0.00 -2.56 0.10 0.00 -0.52 0.00 0.00 37.83 34.85 1xhg s LYS 2 CO 0.00 0.20 0.10 -1.17 -0.92 0.00 0.00 175.35 173.56 1xhg s LEU 3 N -2.58 2.26 -0.18 3.17 0.20 -1.26 -1.18 118.68 119.11 1xhg s LEU 3 Ca 0.52 -1.65 -0.16 0.00 0.69 0.00 0.00 54.13 53.53 1xhg s LEU 3 Cb -0.13 -0.87 -0.04 0.00 -0.43 0.00 0.00 46.19 44.72 1xhg s LEU 3 CO 0.18 -0.41 0.38 -0.63 -0.29 0.00 0.00 176.35 175.59 1xhg s ILE 4 N 1.60 5.22 -0.13 6.68 -1.09 -0.17 -2.56 121.20 130.76 1xhg s ILE 4 Ca 0.10 0.71 0.02 0.00 -2.23 0.00 0.00 60.65 59.24 1xhg s ILE 4 Cb -0.17 -3.72 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1xhg s ILE 4 CO -0.25 0.30 -0.18 0.00 -1.23 0.00 0.00 174.94 173.58 1xhg s TYR 6 N 1.00 3.86 -0.11 0.00 1.51 -1.13 -0.28 117.35 122.20 1xhg s TYR 6 Ca -0.05 1.54 0.01 0.00 -1.01 0.00 0.00 57.07 57.57 1xhg s TYR 6 Cb -0.15 -2.70 0.02 0.00 -0.11 0.00 0.00 41.96 39.02 1xhg s TYR 6 CO -0.03 0.51 -0.14 -0.47 -1.11 0.00 0.00 175.55 174.31 1xhg s TYR 7 N -1.18 1.86 -0.09 2.71 5.04 0.12 -0.90 117.35 124.91 1xhg s TYR 7 Ca 0.35 -0.88 -0.13 0.00 -2.44 0.00 0.00 57.07 53.98 1xhg s TYR 7 Cb -0.22 -1.37 -0.05 0.00 0.35 0.00 0.00 41.96 40.67 1xhg s TYR 7 CO 0.24 -0.47 0.31 0.95 -1.34 0.00 0.00 175.55 175.24 1xhg s THR 8 N 1.07 5.24 0.09 4.34 -4.23 -1.26 0.67 115.64 121.57 1xhg s THR 8 Ca -0.05 0.60 -0.29 0.00 -1.18 0.00 0.00 61.69 60.77 1xhg s THR 8 Cb -0.15 -3.62 -0.15 0.00 1.34 0.00 0.00 72.50 69.93 1xhg s THR 8 CO -0.02 0.51 1.65 0.28 -0.54 0.00 0.00 174.62 176.50 1xhg h SER 9 N 5.57 -0.60 0.00 3.99 0.02 -1.94 -2.80 113.55 117.79 1xhg h SER 9 Ca -0.48 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1xhg h SER 9 Cb 1.20 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1xhg h SER 9 CO 0.66 -0.37 0.00 -2.67 -1.14 0.00 0.00 176.83 173.32 1xhg n TRP 10 N -5.37 0.00 1.34 3.45 2.14 -1.26 -1.73 117.44 116.01 1xhg n TRP 10 Ca -0.10 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.61 1xhg n TRP 10 Cb 0.27 -0.01 0.72 0.00 -0.81 0.00 0.00 31.31 31.49 1xhg n TRP 10 CO 0.00 0.00 0.00 -1.13 2.07 0.00 0.00 177.69 178.63 1xhg n SER 11 N -1.01 0.00 0.09 -0.67 3.41 -1.06 -3.55 113.62 110.84 1xhg n SER 11 Ca 0.02 -0.07 -0.04 0.00 -0.26 0.00 0.00 58.87 58.51 1xhg n SER 11 Cb 0.01 -0.30 0.01 0.00 -0.26 0.00 0.00 64.21 63.66 1xhg n SER 11 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1xhg h GLN 12 N 0.00 0.00 0.00 4.33 3.07 -1.37 -2.12 115.11 119.01 1xhg h GLN 12 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1xhg h GLN 12 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1xhg h GLN 12 CO 0.00 0.83 0.00 1.88 0.09 0.00 0.00 178.83 181.63 1xhg h TYR 13 N 0.00 0.00 -3.59 0.06 0.05 -1.80 -3.39 116.97 108.29 1xhg h TYR 13 Ca -0.01 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.23 1xhg h TYR 13 Cb 1.47 0.00 0.10 0.00 1.01 0.00 0.00 36.73 39.31 1xhg h TYR 13 CO 0.00 0.00 0.78 0.54 -1.05 0.00 0.00 178.16 178.43 1xhg n ARG 14 N -2.44 2.62 -1.82 4.88 1.74 -1.24 -4.94 116.66 115.46 1xhg n ARG 14 Ca 0.04 0.92 -0.29 0.00 -0.77 0.00 0.00 57.85 57.75 1xhg n ARG 14 Cb 0.37 -2.66 0.12 0.00 -1.02 0.00 0.00 32.46 29.27 1xhg n ARG 14 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1xhg s GLU 15 N -1.45 1.47 3.02 5.56 -1.05 -1.26 -2.11 118.70 122.87 1xhg s GLU 15 Ca 0.58 0.04 0.00 0.00 -0.15 0.00 0.00 54.97 55.44 1xhg s GLU 15 Cb -0.50 -1.90 0.00 0.00 -0.44 0.00 0.00 34.13 31.29 1xhg s GLU 15 CO 0.58 -1.92 0.00 0.41 0.95 0.00 0.00 175.26 175.27 1xhg n GLY 16 N -3.13 0.99 0.29 -3.83 0.00 -1.26 -1.08 105.19 97.16 1xhg n GLY 16 Ca 0.09 -0.61 0.16 0.00 0.00 0.00 0.00 46.02 45.66 1xhg n GLY 16 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xhg h ASP 17 N 6.47 0.00 -1.04 1.61 3.32 -2.02 -2.17 116.42 122.59 1xhg h ASP 17 Ca 0.00 0.00 0.29 0.00 0.02 0.00 0.00 57.03 57.34 1xhg h ASP 17 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1xhg h ASP 17 CO 0.00 0.05 0.73 1.23 -1.72 0.00 0.00 179.24 179.53 1xhg h GLY 18 N 0.58 0.35 -4.32 2.75 0.00 -1.36 -3.42 103.07 97.66 1xhg h GLY 18 Ca -0.00 -0.06 -0.56 0.00 0.00 0.00 0.00 47.33 46.70 1xhg h GLY 18 CO 0.01 -0.03 0.64 -1.26 0.00 0.00 0.00 176.54 175.89 1xhg n SER 19 N -4.34 3.08 -3.80 0.19 2.88 -0.82 -4.76 113.62 106.06 1xhg n SER 19 Ca 0.23 1.18 -0.13 0.00 -1.33 0.00 0.00 58.87 58.81 1xhg n SER 19 Cb 1.03 -1.50 -0.14 0.00 -0.75 0.00 0.00 64.21 62.84 1xhg n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xhg s PHE 21 N 0.65 1.74 0.48 0.00 0.40 -1.26 -3.50 117.98 116.50 1xhg s PHE 21 Ca -0.05 -0.64 0.21 0.00 -0.60 0.00 0.00 56.93 55.85 1xhg s PHE 21 Cb -0.07 -0.88 1.24 0.00 0.51 0.00 0.00 43.02 43.81 1xhg s PHE 21 CO -0.02 0.29 1.95 -1.35 0.70 0.00 0.00 175.22 176.78 1xhg h PRO 22 N 2.48 0.19 -0.80 0.24 0.11 -1.92 0.90 132.00 133.21 1xhg h PRO 22 Ca -0.39 -0.01 0.21 0.00 0.11 0.00 0.00 66.00 65.93 1xhg h PRO 22 Cb 1.22 -0.04 -0.15 0.00 0.11 0.00 0.00 31.00 32.14 1xhg h PRO 22 CO 0.64 0.13 -0.01 -3.47 -0.21 0.00 0.00 178.00 175.08 1xhg n ASP 23 N -4.42 -0.11 -1.46 -2.05 2.03 -1.26 -1.05 116.55 108.22 1xhg n ASP 23 Ca 0.13 1.35 -0.05 0.00 0.52 0.00 0.00 54.79 56.74 1xhg n ASP 23 Cb 0.61 -0.48 0.15 0.00 -0.72 0.00 0.00 41.12 40.67 1xhg n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xhg n ALA 24 N -3.31 3.73 -2.79 -1.67 0.00 0.31 -4.91 120.51 111.88 1xhg n ALA 24 Ca 0.18 -1.29 -0.35 0.00 0.00 0.00 0.00 53.44 51.98 1xhg n ALA 24 Cb 0.59 -1.16 -0.09 0.00 0.00 0.00 0.00 19.45 18.79 1xhg n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xhg s ILE 25 N -1.82 4.97 -0.26 0.00 1.01 -0.22 -5.00 121.20 119.88 1xhg s ILE 25 Ca 0.29 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.69 1xhg s ILE 25 Cb 0.24 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 1xhg s ILE 25 CO 0.07 0.44 1.64 -0.62 0.00 0.00 0.00 174.94 176.47 1xhg s ASP 26 N 0.51 6.26 0.61 3.58 2.15 -1.26 -4.86 116.67 123.66 1xhg s ASP 26 Ca 0.05 1.47 0.34 0.00 0.43 0.00 0.00 52.55 54.84 1xhg s ASP 26 Cb -0.12 -2.53 2.00 0.00 -0.30 0.00 0.00 42.92 41.97 1xhg s ASP 26 CO 0.00 -1.38 2.29 -0.65 -0.17 0.00 0.00 175.17 175.26 1xhg h PRO 27 N 11.25 0.00 -0.30 4.34 0.11 -1.95 -1.71 132.00 143.73 1xhg h PRO 27 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1xhg h PRO 27 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xhg h PRO 27 CO 1.02 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 180.00 1xhg n PHE 28 N -3.63 0.39 0.08 0.65 3.72 -1.26 -4.60 117.46 112.81 1xhg n PHE 28 Ca -0.03 -0.24 -0.08 0.00 -0.05 0.00 0.00 57.45 57.04 1xhg n PHE 28 Cb 0.08 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 1xhg n PHE 28 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1xhg h LEU 29 N 3.67 -0.26-10.14 4.37 5.85 -1.70 -3.46 115.31 113.65 1xhg h LEU 29 Ca 0.00 -0.19 -0.48 0.00 0.84 0.00 0.00 57.88 58.05 1xhg h LEU 29 Cb 0.85 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1xhg h LEU 29 CO 0.00 0.26 -0.41 0.00 -0.34 0.00 0.00 178.44 177.95 1xhg n THR 31 N -1.47 1.11 -3.71 0.00 -2.24 -1.06 -4.90 114.28 102.01 1xhg n THR 31 Ca -0.01 -0.74 -0.19 0.00 -2.27 0.00 0.00 64.05 60.84 1xhg n THR 31 Cb 0.59 -0.52 -0.17 0.00 -2.10 0.00 0.00 70.33 68.13 1xhg n THR 31 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1xhg s HIS 32 N -2.80 0.12 -0.08 4.78 3.76 -1.12 -2.65 115.29 117.30 1xhg s HIS 32 Ca -0.07 0.19 0.01 0.00 -0.15 0.00 0.00 55.06 55.04 1xhg s HIS 32 Cb 0.08 -0.46 -0.03 0.00 1.11 0.00 0.00 32.58 33.29 1xhg s HIS 32 CO 0.84 -0.18 -0.08 0.08 -0.85 0.00 0.00 174.74 174.55 1xhg s VAL 33 N 1.89 3.56 -0.14 -0.90 1.01 -0.87 0.43 120.40 125.38 1xhg s VAL 33 Ca 0.02 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1xhg s VAL 33 Cb -0.12 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1xhg s VAL 33 CO -0.03 0.58 -0.18 -0.63 0.00 0.00 0.00 175.10 174.84 1xhg s ILE 34 N -0.63 1.83 -0.05 2.22 1.01 0.61 -1.96 121.20 124.23 1xhg s ILE 34 Ca 0.09 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 1xhg s ILE 34 Cb -0.11 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1xhg s ILE 34 CO 0.02 0.50 1.03 -0.47 0.00 0.00 0.00 174.94 176.02 1xhg s TYR 35 N 1.08 3.53 -0.39 3.97 5.04 -0.52 0.14 117.35 130.20 1xhg s TYR 35 Ca -0.02 1.58 -0.23 0.00 -2.44 0.00 0.00 57.07 55.96 1xhg s TYR 35 Cb -0.14 -3.20 0.01 0.00 0.35 0.00 0.00 41.96 38.98 1xhg s TYR 35 CO -0.06 -0.31 0.78 -1.12 -1.34 0.00 0.00 175.55 173.50 1xhg s SER 36 N 1.10 6.51 -0.00 4.32 0.01 0.21 -1.56 113.70 124.29 1xhg s SER 36 Ca 0.51 0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.98 1xhg s SER 36 Cb -0.21 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1xhg s SER 36 CO 0.23 -0.77 0.02 0.49 0.41 0.00 0.00 173.24 173.61 1xhg n PHE 37 N 6.48 -2.94 -2.96 2.43 3.72 -1.19 -3.89 117.46 119.11 1xhg n PHE 37 Ca 0.03 1.75 -0.19 0.00 -0.05 0.00 0.00 57.45 58.99 1xhg n PHE 37 Cb 0.48 -3.12 0.04 0.00 -0.94 0.00 0.00 39.48 35.94 1xhg n PHE 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xhg s ALA 38 N -0.37 4.49 0.53 4.37 0.00 0.52 -4.74 121.76 126.56 1xhg s ALA 38 Ca -0.02 -1.82 0.03 0.00 0.00 0.00 0.00 51.96 50.15 1xhg s ALA 38 Cb 0.00 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.51 1xhg s ALA 38 CO 0.05 -0.62 0.23 1.21 0.00 0.00 0.00 175.76 176.63 1xhg s ASN 39 N -4.50 4.41 -0.04 0.00 2.47 -0.20 -3.49 114.94 113.59 1xhg s ASN 39 Ca 0.58 -1.43 0.01 0.00 0.42 0.00 0.00 52.86 52.45 1xhg s ASN 39 Cb -0.08 0.47 0.02 0.00 -1.45 0.00 0.00 41.25 40.21 1xhg s ASN 39 CO 0.36 -1.00 -0.06 -0.63 -3.72 0.00 0.00 177.10 172.06 1xhg s ILE 40 N -2.82 0.63 -0.02 -5.21 1.01 -1.26 -1.16 121.20 112.36 1xhg s ILE 40 Ca 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 60.65 60.67 1xhg s ILE 40 Cb -0.01 -0.63 0.03 0.00 0.01 0.00 0.00 42.46 41.87 1xhg s ILE 40 CO 0.13 0.24 0.04 -0.44 0.00 0.00 0.00 174.94 174.90 1xhg s SER 41 N 0.79 0.05 -1.40 3.58 0.01 -0.12 -4.78 113.70 111.82 1xhg s SER 41 Ca -0.11 0.06 -0.10 0.00 1.31 0.00 0.00 55.95 57.11 1xhg s SER 41 Cb -0.14 -0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.08 1xhg s SER 41 CO 0.01 -0.12 1.10 0.59 0.41 0.00 0.00 173.24 175.23 1xhg n ASN 42 N 4.10 -5.45 -3.07 2.44 4.13 -1.26 -1.62 115.26 114.53 1xhg n ASN 42 Ca -0.27 -0.63 -0.22 0.00 1.68 0.00 0.00 54.58 55.14 1xhg n ASN 42 Cb 0.51 -4.65 0.02 0.00 -1.54 0.00 0.00 39.78 34.12 1xhg n ASN 42 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1xhg n ASN 43 N -2.97 -5.47 -3.97 6.41 3.02 -1.26 -4.93 115.26 106.09 1xhg n ASN 43 Ca -0.01 -0.29 -0.15 0.00 -0.03 0.00 0.00 54.58 54.10 1xhg n ASN 43 Cb 0.56 -4.45 -0.14 0.00 -0.61 0.00 0.00 39.78 35.14 1xhg n ASN 43 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xhg s GLU 44 N -5.74 0.41 0.95 3.52 2.02 -0.64 -1.81 118.70 117.41 1xhg s GLU 44 Ca 0.31 -0.27 -0.12 0.00 0.02 0.00 0.00 54.97 54.91 1xhg s GLU 44 Cb -0.14 -0.36 0.08 0.00 0.10 0.00 0.00 34.13 33.81 1xhg s GLU 44 CO 0.38 0.09 0.63 1.51 0.02 0.00 0.00 175.26 177.89 1xhg n ILE 45 N 2.71 0.00 -3.68 -1.63 3.06 -1.26 -0.94 119.36 117.61 1xhg n ILE 45 Ca -0.14 -0.14 -0.01 0.00 -2.50 0.00 0.00 62.75 59.95 1xhg n ILE 45 Cb 0.58 -0.74 -0.01 0.00 0.54 0.00 0.00 39.64 40.00 1xhg n ILE 45 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1xhg s ASP 46 N -2.21 -0.12 1.13 9.51 2.15 -0.31 -4.63 116.67 122.19 1xhg s ASP 46 Ca 0.60 -0.26 -0.14 0.00 0.43 0.00 0.00 52.55 53.18 1xhg s ASP 46 Cb -0.21 0.32 0.20 0.00 -0.30 0.00 0.00 42.92 42.93 1xhg s ASP 46 CO 0.65 -0.60 0.82 0.35 -0.17 0.00 0.00 175.17 176.22 1xhg n THR 47 N -0.47 0.00 0.11 1.71 -2.24 -1.26 -1.04 114.28 111.10 1xhg n THR 47 Ca -0.07 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1xhg n THR 47 Cb 0.62 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 1xhg n THR 47 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1xhg n TRP 48 N -3.95 -1.91 -2.29 4.78 -0.00 -1.26 -3.64 117.44 109.17 1xhg n TRP 48 Ca 0.11 0.34 -0.29 0.00 -0.00 0.00 0.00 57.50 57.66 1xhg n TRP 48 Cb 0.42 0.49 0.01 0.00 -0.00 0.00 0.00 31.31 32.23 1xhg n TRP 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 1xhg s GLU 49 N -2.00 3.48 0.41 5.87 0.41 -1.26 -4.92 118.70 120.69 1xhg s GLU 49 Ca 0.00 0.40 0.29 0.00 -0.41 0.00 0.00 54.97 55.25 1xhg s GLU 49 Cb 0.00 -2.24 1.35 0.00 -1.78 0.00 0.00 34.13 31.46 1xhg s GLU 49 CO 0.00 -0.42 1.87 0.11 -0.49 0.00 0.00 175.26 176.33 1xhg h TRP 50 N -0.05 0.00 0.00 1.61 5.08 -2.04 -3.15 115.95 117.39 1xhg h TRP 50 Ca -0.46 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.50 1xhg h TRP 50 Cb 1.21 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.34 1xhg h TRP 50 CO 0.60 0.00 -0.28 0.27 -1.28 0.00 0.00 178.44 177.75 1xhg n ASN 51 N -2.57 1.82 -0.31 0.11 6.94 -1.26 -4.81 115.26 115.18 1xhg n ASN 51 Ca 0.00 -3.18 -0.02 0.00 -0.02 0.00 0.00 54.58 51.36 1xhg n ASN 51 Cb 0.17 -0.43 0.10 0.00 -2.36 0.00 0.00 39.78 37.26 1xhg n ASN 51 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1xhg h ASP 52 N 0.39 0.93 -0.12 0.53 3.32 -1.94 -1.32 116.42 118.21 1xhg h ASP 52 Ca -0.01 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.06 1xhg h ASP 52 Cb 1.10 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 1xhg h ASP 52 CO 0.01 0.65 0.14 -0.37 -1.72 0.00 0.00 179.24 177.95 1xhg h VAL 53 N 1.09 0.48 0.08 -1.35 -1.51 -1.88 1.02 116.25 114.19 1xhg h VAL 53 Ca 0.33 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.68 1xhg h VAL 53 Cb -0.05 0.89 0.01 0.00 -2.13 0.00 0.00 31.29 30.01 1xhg h VAL 53 CO -0.10 0.00 -0.51 0.74 -1.23 0.00 0.00 177.57 176.47 1xhg h THR 54 N 0.00 1.61 -0.39 7.19 2.02 -1.64 -3.00 112.91 118.70 1xhg h THR 54 Ca 0.06 -2.46 -0.10 0.00 0.77 0.00 0.00 66.41 64.68 1xhg h THR 54 Cb 0.33 3.26 -0.02 0.00 -1.74 0.00 0.00 68.15 69.99 1xhg h THR 54 CO -0.00 0.67 -0.16 -0.07 0.37 0.00 0.00 175.52 176.33 1xhg h LEU 55 N -0.63 0.73 -0.18 2.58 3.38 -0.63 1.00 115.31 121.55 1xhg h LEU 55 Ca -0.09 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.70 1xhg h LEU 55 Cb 1.39 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 1xhg h LEU 55 CO 0.09 0.89 -0.16 1.88 0.09 0.00 0.00 178.44 181.23 1xhg h TYR 56 N 0.65 -0.39 -0.65 1.13 0.05 0.94 0.03 116.97 118.73 1xhg h TYR 56 Ca 0.10 0.03 0.08 0.00 0.05 0.00 0.00 58.73 58.99 1xhg h TYR 56 Cb 0.64 0.20 -0.07 0.00 1.01 0.00 0.00 36.73 38.51 1xhg h TYR 56 CO 0.03 -0.23 0.31 0.22 -1.05 0.00 0.00 178.16 177.45 1xhg h ASP 57 N -0.17 0.40 -0.72 3.88 3.58 -1.29 -1.59 116.42 120.51 1xhg h ASP 57 Ca 0.11 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 1xhg h ASP 57 Cb 0.34 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 1xhg h ASP 57 CO -0.29 0.24 0.39 0.74 -2.88 0.00 0.00 179.24 177.45 1xhg h THR 58 N 0.55 1.22 0.22 2.25 2.02 0.96 -2.60 112.91 117.53 1xhg h THR 58 Ca 0.32 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1xhg h THR 58 Cb 0.32 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1xhg h THR 58 CO -0.25 0.25 -0.11 0.25 0.37 0.00 0.00 175.52 176.03 1xhg h LEU 59 N 0.99 -0.25 -0.37 2.58 5.85 -0.74 -3.19 115.31 120.18 1xhg h LEU 59 Ca 0.25 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1xhg h LEU 59 Cb 0.04 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1xhg h LEU 59 CO -0.04 0.11 0.00 0.59 -0.34 0.00 0.00 178.44 178.76 1xhg n ASN 60 N -5.07 0.22 0.21 1.25 5.03 -0.63 -1.17 115.26 115.10 1xhg n ASN 60 Ca -0.09 0.57 0.10 0.00 0.87 0.00 0.00 54.58 56.04 1xhg n ASN 60 Cb 0.24 -0.61 0.26 0.00 -1.02 0.00 0.00 39.78 38.65 1xhg n ASN 60 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1xhg h THR 61 N 0.00 0.27 -0.00 3.41 1.35 -1.45 -2.40 112.91 114.09 1xhg h THR 61 Ca 0.00 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1xhg h THR 61 Cb 0.15 1.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1xhg h THR 61 CO 0.00 0.14 0.01 -0.07 -0.25 0.00 0.00 175.52 175.35 1xhg h LEU 62 N 0.00 0.00 0.00 3.87 3.38 -1.27 0.78 115.31 122.07 1xhg h LEU 62 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xhg h LEU 62 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1xhg h LEU 62 CO 0.02 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.84 1xhg n LYS 63 N -3.64 0.17 0.10 1.13 5.02 -0.90 -1.27 118.16 118.78 1xhg n LYS 63 Ca -0.03 0.14 0.13 0.00 -2.02 0.00 0.00 58.31 56.53 1xhg n LYS 63 Cb 0.08 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 33.90 1xhg n LYS 63 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1xhg h ASN 64 N 0.00 0.00 0.07 4.39 2.35 0.41 -3.19 115.58 119.62 1xhg h ASN 64 Ca 0.00 -0.06 -0.37 0.00 -0.55 0.00 0.00 56.30 55.32 1xhg h ASN 64 Cb 0.22 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.53 1xhg h ASN 64 CO 0.00 0.03 -2.30 0.54 -1.65 0.00 0.00 177.43 174.05 1xhg n ARG 65 N -2.32 0.68 -3.80 0.81 1.74 -0.39 -4.71 116.66 108.67 1xhg n ARG 65 Ca 0.05 0.11 -0.30 0.00 -0.77 0.00 0.00 57.85 56.93 1xhg n ARG 65 Cb 0.45 -1.57 -0.14 0.00 -1.02 0.00 0.00 32.46 30.18 1xhg n ARG 65 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1xhg s ASN 66 N -6.04 3.96 0.47 0.55 2.47 -1.04 -4.95 114.94 110.35 1xhg s ASN 66 Ca -0.19 -2.55 0.30 0.00 0.42 0.00 0.00 52.86 50.85 1xhg s ASN 66 Cb 0.07 -1.21 1.65 0.00 -1.45 0.00 0.00 41.25 40.31 1xhg s ASN 66 CO 0.75 -0.29 1.93 -0.65 -3.72 0.00 0.00 177.10 175.12 1xhg h PRO 67 N 6.93 0.00 0.00 0.43 0.11 -1.83 -1.71 132.00 135.93 1xhg h PRO 67 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1xhg h PRO 67 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1xhg h PRO 67 CO 0.53 0.00 -0.88 -0.91 -0.21 0.00 0.00 178.00 176.54 1xhg h ASN 68 N 0.00 0.00 -3.70 -2.05 -0.26 -1.92 -3.47 115.58 104.18 1xhg h ASN 68 Ca 0.00 -0.10 -0.57 0.00 -0.56 0.00 0.00 56.30 55.08 1xhg h ASN 68 Cb 0.05 0.00 0.16 0.00 -1.06 0.00 0.00 38.32 37.47 1xhg h ASN 68 CO 0.00 0.05 0.21 -0.11 -1.06 0.00 0.00 177.43 176.52 1xhg n LEU 69 N -2.46 4.22 -4.14 1.61 -0.00 -0.64 -4.99 117.00 110.60 1xhg n LEU 69 Ca 0.01 0.81 -0.17 0.00 -0.00 0.00 0.00 56.01 56.66 1xhg n LEU 69 Cb 0.51 -1.43 -0.12 0.00 -0.00 0.00 0.00 43.42 42.38 1xhg n LEU 69 CO 0.39 -1.68 -0.44 -0.54 -0.00 0.00 0.00 177.39 175.12 1xhg s LYS 70 N -2.90 0.74 0.10 1.96 -0.14 -1.08 -4.97 119.74 113.45 1xhg s LYS 70 Ca 0.77 -0.89 0.05 0.00 -1.36 0.00 0.00 55.97 54.54 1xhg s LYS 70 Cb -0.41 -0.68 -0.04 0.00 -1.68 0.00 0.00 37.83 35.03 1xhg s LYS 70 CO 0.45 0.15 -0.12 0.95 -0.76 0.00 0.00 175.35 176.02 1xhg s THR 71 N -1.28 1.09 0.04 2.17 -4.23 -1.26 -2.04 115.64 110.12 1xhg s THR 71 Ca -0.04 -1.63 -0.01 0.00 -1.18 0.00 0.00 61.69 58.82 1xhg s THR 71 Cb -0.10 -1.38 -0.03 0.00 1.34 0.00 0.00 72.50 72.33 1xhg s THR 71 CO 0.02 -0.48 -0.01 -0.76 -0.54 0.00 0.00 174.62 172.85 1xhg s LEU 72 N -2.38 2.30 -0.17 4.79 1.02 -0.83 -0.29 118.68 123.13 1xhg s LEU 72 Ca 0.06 -0.76 -0.04 0.00 0.02 0.00 0.00 54.13 53.40 1xhg s LEU 72 Cb -0.04 0.23 -0.03 0.00 0.02 0.00 0.00 46.19 46.37 1xhg s LEU 72 CO 0.01 -0.49 -0.02 -0.22 0.02 0.00 0.00 176.35 175.66 1xhg s LEU 73 N -2.32 3.34 0.09 1.79 2.96 -0.84 -1.44 118.68 122.25 1xhg s LEU 73 Ca -0.02 -0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 53.68 1xhg s LEU 73 Cb 0.01 -1.82 -0.06 0.00 0.50 0.00 0.00 46.19 44.82 1xhg s LEU 73 CO -0.06 0.15 0.41 -0.55 -1.32 0.00 0.00 176.35 174.98 1xhg s SER 74 N 0.48 6.64 -0.10 3.68 0.15 -0.60 -0.07 113.70 123.88 1xhg s SER 74 Ca -0.02 0.80 0.01 0.00 0.70 0.00 0.00 55.95 57.44 1xhg s SER 74 Cb -0.14 -2.18 -0.02 0.00 -1.71 0.00 0.00 66.02 61.97 1xhg s SER 74 CO 0.02 0.15 -0.11 -0.69 1.20 0.00 0.00 173.24 173.81 1xhg s VAL 75 N -1.44 3.26 0.00 4.45 1.01 0.28 -0.35 120.40 127.61 1xhg s VAL 75 Ca 0.34 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1xhg s VAL 75 Cb -0.14 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1xhg s VAL 75 CO 0.19 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.45 1xhg n GLY 76 N 2.99 0.65 0.00 4.51 0.00 -1.23 0.08 105.19 112.19 1xhg n GLY 76 Ca -0.18 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1xhg n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhg n GLY 77 N 0.00 -1.28 0.11 -0.02 0.00 -1.05 -4.61 105.19 98.35 1xhg n GLY 77 Ca 0.00 -2.23 -0.12 0.00 0.00 0.00 0.00 46.02 43.68 1xhg n GLY 77 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1xhg h TRP 78 N 0.00 0.36 -0.32 1.61 6.55 -1.97 -3.23 115.95 118.94 1xhg h TRP 78 Ca 0.00 -0.23 -0.13 0.00 0.95 0.00 0.00 58.89 59.47 1xhg h TRP 78 Cb 0.00 -0.03 -0.08 0.00 -0.86 0.00 0.00 29.16 28.19 1xhg h TRP 78 CO 0.00 1.11 0.17 0.09 -1.05 0.00 0.00 178.44 178.76 1xhg n ASN 79 N -3.58 3.12 -3.84 -3.49 4.13 -1.26 -4.68 115.26 105.67 1xhg n ASN 79 Ca -0.05 -2.52 -0.29 0.00 1.68 0.00 0.00 54.58 53.40 1xhg n ASN 79 Cb 0.91 -0.61 -0.16 0.00 -1.54 0.00 0.00 39.78 38.38 1xhg n ASN 79 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1xhg s PHE 80 N -1.34 1.90 0.04 3.10 2.19 -1.22 -5.11 117.98 117.53 1xhg s PHE 80 Ca 0.21 -1.53 -0.36 0.00 0.33 0.00 0.00 56.93 55.58 1xhg s PHE 80 Cb 0.17 -1.49 -0.15 0.00 -1.31 0.00 0.00 43.02 40.24 1xhg s PHE 80 CO 0.05 -0.75 1.56 0.41 1.83 0.00 0.00 175.22 178.31 1xhg n GLY 81 N 4.80 0.90 0.25 13.12 0.00 -1.26 -4.77 105.19 118.24 1xhg n GLY 81 Ca -0.08 0.74 0.05 0.00 0.00 0.00 0.00 46.02 46.73 1xhg n GLY 81 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xhg h PRO 82 N 6.07 0.14 -0.66 1.61 0.11 -1.91 0.42 132.00 137.76 1xhg h PRO 82 Ca -0.47 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.76 1xhg h PRO 82 Cb 1.29 -0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.25 1xhg h PRO 82 CO 0.87 0.19 -0.15 1.96 -0.21 0.00 0.00 178.00 180.65 1xhg h GLN 83 N 0.14 0.01 -0.42 1.05 7.50 -1.95 0.86 115.11 122.30 1xhg h GLN 83 Ca 0.03 -0.00 0.07 0.00 0.50 0.00 0.00 58.65 59.25 1xhg h GLN 83 Cb 0.16 -0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.63 1xhg h GLN 83 CO 0.01 0.00 0.06 0.00 -1.50 0.00 0.00 178.83 177.40 1xhg h ARG 84 N 0.01 0.17 -0.09 1.46 3.08 -1.27 0.22 114.38 117.97 1xhg h ARG 84 Ca 0.32 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 1xhg h ARG 84 Cb 0.49 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1xhg h ARG 84 CO -0.68 0.11 0.05 0.74 -1.07 0.00 0.00 179.97 179.13 1xhg h PHE 85 N 0.18 0.11 -0.05 3.04 0.04 -0.58 -2.62 116.94 117.06 1xhg h PHE 85 Ca 0.20 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.01 1xhg h PHE 85 Cb 0.27 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.32 1xhg h PHE 85 CO -0.23 0.11 -0.37 1.03 -0.60 0.00 0.00 178.31 178.26 1xhg h SER 86 N 0.08 -1.13 -0.92 2.17 0.87 0.21 -0.15 113.55 114.68 1xhg h SER 86 Ca 0.03 0.15 0.16 0.00 -1.23 0.00 0.00 61.79 60.90 1xhg h SER 86 Cb 0.03 0.46 -0.08 0.00 -0.44 0.00 0.00 62.40 62.37 1xhg h SER 86 CO -0.01 -0.41 0.59 0.50 -0.53 0.00 0.00 176.83 176.97 1xhg h LYS 87 N -0.49 0.64 -0.09 2.24 1.63 -0.59 -0.38 116.57 119.53 1xhg h LYS 87 Ca 0.07 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.72 1xhg h LYS 87 Cb 0.60 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1xhg h LYS 87 CO -0.33 0.42 -0.39 0.82 -3.45 0.00 0.00 179.45 176.53 1xhg h ILE 88 N 0.66 1.39 0.00 2.00 1.08 -0.92 -3.31 117.51 118.41 1xhg h ILE 88 Ca 0.48 -1.74 -0.05 0.00 -0.39 0.00 0.00 64.86 63.16 1xhg h ILE 88 Cb 0.83 2.23 -0.01 0.00 -3.07 0.00 0.00 36.82 36.80 1xhg h ILE 88 CO -0.23 0.51 -0.21 0.00 -0.69 0.00 0.00 178.15 177.53 1xhg h ALA 89 N 0.46 0.96 0.00 1.87 0.00 -0.18 -2.54 119.26 119.83 1xhg h ALA 89 Ca -0.02 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1xhg h ALA 89 Cb 1.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1xhg h ALA 89 CO 0.08 0.27 -0.42 0.77 0.00 0.00 0.00 179.25 179.95 1xhg h SER 90 N 0.00 0.00 -3.61 0.00 0.02 -1.18 -3.43 113.55 105.35 1xhg h SER 90 Ca -0.00 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.24 1xhg h SER 90 Cb 0.85 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.13 1xhg h SER 90 CO 0.03 0.42 -0.54 -0.54 -1.14 0.00 0.00 176.83 175.06 1xhg s LYS 91 N -3.47 2.80 0.63 3.45 1.02 -1.24 -4.96 119.74 117.96 1xhg s LYS 91 Ca 0.01 -1.09 0.21 0.00 0.02 0.00 0.00 55.97 55.12 1xhg s LYS 91 Cb 0.10 -3.65 0.97 0.00 -0.52 0.00 0.00 37.83 34.73 1xhg s LYS 91 CO 0.70 -0.68 1.49 1.79 -0.92 0.00 0.00 175.35 177.73 1xhg h THR 92 N 5.94 0.09 0.12 2.17 1.35 -1.86 0.33 112.91 121.04 1xhg h THR 92 Ca -0.25 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.44 1xhg h THR 92 Cb 1.10 0.28 0.02 0.00 -1.73 0.00 0.00 68.15 67.81 1xhg h THR 92 CO 0.65 0.00 -0.74 -0.61 -0.25 0.00 0.00 175.52 174.57 1xhg h GLN 93 N 0.00 0.25 -0.03 4.72 5.75 -1.93 -2.70 115.11 121.18 1xhg h GLN 93 Ca 0.21 -0.43 -0.00 0.00 -0.15 0.00 0.00 58.65 58.28 1xhg h GLN 93 Cb 1.86 0.16 -0.00 0.00 1.07 0.00 0.00 27.48 30.57 1xhg h GLN 93 CO -0.00 1.20 0.01 0.77 -2.65 0.00 0.00 178.83 178.16 1xhg h SER 94 N -0.47 0.04 0.36 -0.69 0.02 -0.62 -2.14 113.55 110.04 1xhg h SER 94 Ca -0.13 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1xhg h SER 94 Cb 1.55 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 64.06 1xhg h SER 94 CO 0.12 0.17 -0.42 -0.09 -1.14 0.00 0.00 176.83 175.47 1xhg h ARG 95 N -0.10 -0.79 -0.24 3.45 2.43 -0.84 0.05 114.38 118.34 1xhg h ARG 95 Ca 0.01 0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1xhg h ARG 95 Cb 0.15 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1xhg h ARG 95 CO -0.00 -0.53 0.17 0.07 -1.51 0.00 0.00 179.97 178.17 1xhg h ARG 96 N -0.82 0.05 -0.13 0.20 0.11 -1.49 0.93 114.38 113.23 1xhg h ARG 96 Ca -0.03 -0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.94 1xhg h ARG 96 Cb 0.75 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.82 1xhg h ARG 96 CO -0.10 0.03 -0.34 1.15 0.10 0.00 0.00 179.97 180.81 1xhg h THR 97 N 0.05 1.37 0.41 0.08 2.02 -0.74 -1.44 112.91 114.66 1xhg h THR 97 Ca 0.11 -1.63 -0.02 0.00 0.77 0.00 0.00 66.41 65.64 1xhg h THR 97 Cb 0.38 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1xhg h THR 97 CO -0.01 0.48 -0.20 0.15 0.37 0.00 0.00 175.52 176.32 1xhg h PHE 98 N 0.04 -0.51 0.01 3.16 3.57 -0.21 -2.85 116.94 120.15 1xhg h PHE 98 Ca -0.01 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.50 1xhg h PHE 98 Cb 0.95 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.81 1xhg h PHE 98 CO 0.11 -0.31 -0.46 0.82 -2.23 0.00 0.00 178.31 176.24 1xhg h ILE 99 N -0.56 0.00 0.00 1.41 2.04 -0.86 -1.61 117.51 117.93 1xhg h ILE 99 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1xhg h ILE 99 Cb 0.43 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1xhg h ILE 99 CO 0.09 0.00 0.07 0.29 0.00 0.00 0.00 178.15 178.60 1xhg n LYS 100 N -5.01 0.05 0.00 2.37 4.01 -0.54 -0.20 118.16 118.83 1xhg n LYS 100 Ca -0.06 0.51 0.13 0.00 -0.51 0.00 0.00 58.31 58.37 1xhg n LYS 100 Cb 0.34 -1.72 0.33 0.00 -0.51 0.00 0.00 35.03 33.46 1xhg n LYS 100 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1xhg n SER 101 N -1.72 1.68 -0.06 4.39 3.41 -0.61 -4.64 113.62 116.06 1xhg n SER 101 Ca -0.00 -1.39 -0.04 0.00 -0.26 0.00 0.00 58.87 57.18 1xhg n SER 101 Cb 0.08 0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 1xhg n SER 101 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1xhg h VAL 102 N 2.38 0.19 -0.72 -3.33 2.07 -0.58 -3.31 116.25 112.95 1xhg h VAL 102 Ca 0.00 -1.17 0.10 0.00 0.82 0.00 0.00 66.70 66.45 1xhg h VAL 102 Cb 0.62 0.39 -0.12 0.00 -1.52 0.00 0.00 31.29 30.66 1xhg h VAL 102 CO 0.00 0.06 -0.45 -0.65 0.02 0.00 0.00 177.57 176.55 1xhg h PRO 103 N -1.00 -0.15 -0.17 1.57 0.11 -1.82 0.27 132.00 130.82 1xhg h PRO 103 Ca -0.02 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.12 1xhg h PRO 103 Cb 0.36 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1xhg h PRO 103 CO -0.01 -0.10 0.11 -1.00 -0.21 0.00 0.00 178.00 176.79 1xhg h PRO 104 N -0.15 0.11 -0.32 1.05 0.13 -1.85 0.75 132.00 131.71 1xhg h PRO 104 Ca 0.21 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.27 1xhg h PRO 104 Cb 0.55 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1xhg h PRO 104 CO -0.78 0.07 -0.05 0.35 -0.23 0.00 0.00 178.00 177.36 1xhg h PHE 105 N 0.11 0.67 0.00 1.56 3.57 -0.60 -2.04 116.94 120.21 1xhg h PHE 105 Ca 0.07 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1xhg h PHE 105 Cb 0.15 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1xhg h PHE 105 CO -0.00 0.76 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.77 1xhg h LEU 106 N 0.38 -0.00 -1.00 0.59 4.07 -0.74 -2.49 115.31 116.12 1xhg h LEU 106 Ca 0.08 -0.43 0.20 0.00 0.08 0.00 0.00 57.88 57.81 1xhg h LEU 106 Cb 0.53 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.16 1xhg h LEU 106 CO 0.03 0.43 0.61 0.03 -1.08 0.00 0.00 178.44 178.46 1xhg h ARG 107 N -0.44 0.70 -0.32 1.13 -0.00 -0.91 0.11 114.38 114.65 1xhg h ARG 107 Ca -0.00 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.98 59.40 1xhg h ARG 107 Cb 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 29.97 30.23 1xhg h ARG 107 CO 0.00 0.47 0.04 1.15 0.00 0.00 0.00 179.97 181.63 1xhg h THR 108 N 0.73 1.24 -0.62 2.04 2.02 -1.27 -3.18 112.91 113.86 1xhg h THR 108 Ca 0.59 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1xhg h THR 108 Cb 0.97 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1xhg h THR 108 CO -0.40 0.28 0.00 1.41 0.37 0.00 0.00 175.52 177.17 1xhg n HIS 109 N -4.60 0.99 -0.83 3.16 8.25 -0.28 -4.95 115.22 116.96 1xhg n HIS 109 Ca -0.02 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 1xhg n HIS 109 Cb 0.23 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1xhg n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xhg n GLY 110 N 1.39 0.57 3.85 -1.41 0.00 -0.13 -4.73 105.19 104.72 1xhg n GLY 110 Ca 0.22 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1xhg n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xhg s PHE 111 N -2.00 3.43 -1.12 1.61 0.08 -0.86 -4.88 117.98 114.25 1xhg s PHE 111 Ca 0.00 1.36 0.16 0.00 0.12 0.00 0.00 56.93 58.57 1xhg s PHE 111 Cb 0.00 -2.69 -0.09 0.00 -0.57 0.00 0.00 43.02 39.67 1xhg s PHE 111 CO 0.00 -0.23 0.76 -0.25 -0.10 0.00 0.00 175.22 175.40 1xhg n ASP 112 N -1.29 1.19 -3.59 1.36 8.00 0.61 -4.52 116.55 118.31 1xhg n ASP 112 Ca 0.05 -1.09 -0.02 0.00 0.71 0.00 0.00 54.79 54.44 1xhg n ASP 112 Cb 0.54 0.74 0.00 0.00 -0.02 0.00 0.00 41.12 42.38 1xhg n ASP 112 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xhg s GLY 113 N -2.21 -0.13 0.06 0.44 0.00 -1.09 -0.11 107.32 104.28 1xhg s GLY 113 Ca 0.10 0.06 0.09 0.00 0.00 0.00 0.00 44.72 44.97 1xhg s GLY 113 CO 0.53 1.31 -0.25 -2.27 0.00 0.00 0.00 173.10 172.41 1xhg s LEU 114 N -3.18 2.19 -0.15 0.66 2.96 -0.35 -1.99 118.68 118.82 1xhg s LEU 114 Ca 0.17 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1xhg s LEU 114 Cb -0.01 -1.21 0.02 0.00 0.50 0.00 0.00 46.19 45.49 1xhg s LEU 114 CO 0.02 0.23 -0.19 -0.62 -1.32 0.00 0.00 176.35 174.47 1xhg s ASP 115 N -1.35 2.94 -0.39 3.68 2.15 0.90 -1.99 116.67 122.62 1xhg s ASP 115 Ca 0.11 -0.57 -0.23 0.00 0.43 0.00 0.00 52.55 52.29 1xhg s ASP 115 Cb -0.10 -1.36 0.01 0.00 -0.30 0.00 0.00 42.92 41.18 1xhg s ASP 115 CO 0.03 0.01 0.76 -0.76 -0.17 0.00 0.00 175.17 175.04 1xhg s LEU 116 N 1.17 4.18 -0.60 -1.34 1.43 0.72 0.10 118.68 124.33 1xhg s LEU 116 Ca 0.00 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 1xhg s LEU 116 Cb -0.14 -2.98 0.39 0.00 0.03 0.00 0.00 46.19 43.50 1xhg s LEU 116 CO -0.08 -0.76 1.46 0.00 0.23 0.00 0.00 176.35 177.20 1xhg n ALA 117 N 6.45 5.63 -1.55 4.21 0.00 0.11 -2.15 120.51 133.21 1xhg n ALA 117 Ca 0.02 -4.26 -0.33 0.00 0.00 0.00 0.00 53.44 48.88 1xhg n ALA 117 Cb 0.48 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.77 1xhg n ALA 117 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1xhg n TRP 118 N -0.50 1.27 -2.32 0.00 -0.00 -1.25 -2.52 117.44 112.12 1xhg n TRP 118 Ca 0.45 0.12 -0.35 0.00 -0.00 0.00 0.00 57.50 57.72 1xhg n TRP 118 Cb 0.49 -2.56 -0.04 0.00 -0.00 0.00 0.00 31.31 29.20 1xhg n TRP 118 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 1xhg s LEU 119 N 12.10 3.34 -0.06 5.87 1.43 -1.26 -4.32 118.68 135.77 1xhg s LEU 119 Ca 1.02 -1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1xhg s LEU 119 Cb -0.29 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1xhg s LEU 119 CO 0.26 -2.08 0.02 -1.22 0.23 0.00 0.00 176.35 173.56 1xhg n TYR 120 N 11.24 -0.93 -2.17 0.29 0.53 -1.26 -4.75 117.16 120.12 1xhg n TYR 120 Ca 0.35 0.47 -0.32 0.00 -1.02 0.00 0.00 57.90 57.39 1xhg n TYR 120 Cb 0.49 -2.04 -0.01 0.00 -1.03 0.00 0.00 39.34 36.74 1xhg n TYR 120 CO 0.00 0.00 0.00 -1.25 -1.02 0.00 0.00 176.86 174.59 1xhg s PRO 121 N -0.60 3.79 0.36 -0.72 0.04 -1.26 -4.92 135.00 131.68 1xhg s PRO 121 Ca -0.03 0.85 0.04 0.00 0.04 0.00 0.00 61.00 61.91 1xhg s PRO 121 Cb 0.00 -2.12 0.04 0.00 0.04 0.00 0.00 34.50 32.47 1xhg s PRO 121 CO 0.17 -0.40 0.37 0.41 0.04 0.00 0.00 177.00 177.59 1xhg n GLY 122 N -2.11 2.47 0.33 0.56 0.00 -1.26 -4.24 105.19 100.93 1xhg n GLY 122 Ca 0.06 -2.23 0.06 0.00 0.00 0.00 0.00 46.02 43.91 1xhg n GLY 122 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xhg h ARG 123 N 0.00 0.81 -0.00 1.61 2.43 -1.94 -0.32 114.38 116.96 1xhg h ARG 123 Ca -0.20 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1xhg h ARG 123 Cb 0.81 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1xhg h ARG 123 CO 0.31 0.54 0.00 0.54 -1.51 0.00 0.00 179.97 179.84 1xhg n ARG 124 N -4.72 0.85 -0.00 0.20 1.74 -1.26 -3.68 116.66 109.79 1xhg n ARG 124 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1xhg n ARG 124 Cb 0.34 -1.00 -0.00 0.00 -1.02 0.00 0.00 32.46 30.78 1xhg n ARG 124 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1xhg n ASP 125 N -0.50 1.51 -0.02 0.55 8.00 -0.14 -4.77 116.55 121.18 1xhg n ASP 125 Ca 0.00 -0.35 -0.13 0.00 0.71 0.00 0.00 54.79 55.02 1xhg n ASP 125 Cb 0.00 1.00 -0.09 0.00 -0.02 0.00 0.00 41.12 42.01 1xhg n ASP 125 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1xhg h LYS 126 N 0.00 -0.48 -1.08 -1.24 3.64 -1.62 0.77 116.57 116.57 1xhg h LYS 126 Ca 0.00 0.03 0.31 0.00 -1.27 0.00 0.00 60.65 59.73 1xhg h LYS 126 Cb 0.00 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 31.81 1xhg h LYS 126 CO 0.00 -0.32 0.66 -0.09 -2.27 0.00 0.00 179.45 177.43 1xhg h ARG 127 N -0.50 0.33 0.00 1.90 2.43 -1.86 -0.09 114.38 116.59 1xhg h ARG 127 Ca 0.03 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 59.00 1xhg h ARG 127 Cb 0.60 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1xhg h ARG 127 CO -0.41 0.22 -1.43 0.45 -1.51 0.00 0.00 179.97 177.30 1xhg h HIS 128 N 0.34 0.00 -0.31 2.20 -0.00 -1.51 -3.09 115.15 112.79 1xhg h HIS 128 Ca 0.69 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 61.05 1xhg h HIS 128 Cb 1.72 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 29.11 1xhg h HIS 128 CO -0.01 0.62 0.16 1.25 -0.00 0.00 0.00 177.93 179.96 1xhg h LEU 129 N 0.00 0.39 -1.94 2.43 6.46 0.85 -0.61 115.31 122.89 1xhg h LEU 129 Ca -0.17 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.50 1xhg h LEU 129 Cb 1.63 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.45 1xhg h LEU 129 CO 0.05 0.37 0.07 0.74 -0.62 0.00 0.00 178.44 179.06 1xhg h THR 130 N 0.37 0.99 0.29 1.05 2.02 -1.24 -1.93 112.91 114.46 1xhg h THR 130 Ca 0.11 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1xhg h THR 130 Cb 0.08 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1xhg h THR 130 CO -0.02 0.01 -0.14 0.74 0.37 0.00 0.00 175.52 176.49 1xhg h THR 131 N 0.08 0.00 -0.76 3.16 2.02 -1.23 -2.61 112.91 113.58 1xhg h THR 131 Ca 0.05 -0.45 0.13 0.00 0.77 0.00 0.00 66.41 66.91 1xhg h THR 131 Cb 0.08 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.36 1xhg h THR 131 CO -0.01 0.00 -0.27 -0.11 0.37 0.00 0.00 175.52 175.51 1xhg n LEU 132 N -4.30 -0.43 -0.09 2.58 7.94 -0.33 0.36 117.00 122.74 1xhg n LEU 132 Ca -0.05 1.31 -0.10 0.00 -1.11 0.00 0.00 56.01 56.07 1xhg n LEU 132 Cb 0.16 -0.33 -0.02 0.00 0.53 0.00 0.00 43.42 43.75 1xhg n LEU 132 CO 0.12 -1.20 0.92 0.58 -1.11 0.00 0.00 177.39 176.69 1xhg h VAL 133 N 0.00 1.15 0.19 1.96 2.07 -1.45 0.25 116.25 120.42 1xhg h VAL 133 Ca 0.29 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1xhg h VAL 133 Cb 0.48 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1xhg h VAL 133 CO -0.76 0.15 -0.26 0.11 0.02 0.00 0.00 177.57 176.83 1xhg h LYS 134 N 0.34 -0.45 -0.77 1.57 1.57 0.32 -0.71 116.57 118.43 1xhg h LYS 134 Ca 0.10 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1xhg h LYS 134 Cb 0.12 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 1xhg h LYS 134 CO -0.01 -0.30 0.51 0.93 -0.57 0.00 0.00 179.45 180.01 1xhg h GLU 135 N -0.47 1.02 -0.49 3.15 5.08 -1.02 0.24 114.58 122.09 1xhg h GLU 135 Ca -0.02 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1xhg h GLU 135 Cb 0.43 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 1xhg h GLU 135 CO -0.07 0.68 0.17 1.98 -1.00 0.00 0.00 179.01 180.76 1xhg h MET 136 N 1.05 0.33 0.00 2.33 4.05 -0.38 0.17 114.93 122.48 1xhg h MET 136 Ca 0.28 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.59 1xhg h MET 136 Cb -0.12 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.59 1xhg h MET 136 CO -0.06 0.22 -0.45 -0.22 0.23 0.00 0.00 176.91 176.63 1xhg h LYS 137 N 0.34 0.00 0.00 0.39 1.63 0.15 -2.03 116.57 117.04 1xhg h LYS 137 Ca 0.24 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.93 1xhg h LYS 137 Cb 0.26 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 1xhg h LYS 137 CO -0.25 0.45 -0.52 0.00 -3.45 0.00 0.00 179.45 175.68 1xhg h ALA 138 N 1.55 1.11 -0.02 5.00 0.00 0.16 -1.84 119.26 125.21 1xhg h ALA 138 Ca -0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1xhg h ALA 138 Cb 0.93 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xhg h ALA 138 CO 0.06 0.65 -0.08 1.49 0.00 0.00 0.00 179.25 181.36 1xhg h GLU 139 N 0.00 0.10 -0.46 0.00 4.57 -0.20 -1.85 114.58 116.74 1xhg h GLU 139 Ca -0.01 -0.07 0.13 0.00 -1.18 0.00 0.00 59.36 58.24 1xhg h GLU 139 Cb 0.93 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 1xhg h GLU 139 CO 0.07 0.71 0.36 0.74 -1.18 0.00 0.00 179.01 179.71 1xhg h PHE 140 N -0.50 0.00 0.09 0.92 -1.00 -1.18 0.12 116.94 115.38 1xhg h PHE 140 Ca -0.00 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.49 1xhg h PHE 140 Cb 0.73 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.27 1xhg h PHE 140 CO 0.14 0.00 -1.42 0.82 -1.61 0.00 0.00 178.31 176.24 1xhg h ILE 141 N 0.00 1.26 0.00 -0.55 2.04 -1.16 -3.16 117.51 115.95 1xhg h ILE 141 Ca 0.22 -2.92 0.00 0.00 1.00 0.00 0.00 64.86 63.16 1xhg h ILE 141 Cb 0.93 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1xhg h ILE 141 CO -0.00 0.82 0.00 -0.09 0.00 0.00 0.00 178.15 178.88 1xhg h ARG 142 N 0.05 0.00 0.00 2.37 2.43 -0.17 -2.93 114.38 116.14 1xhg h ARG 142 Ca -0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1xhg h ARG 142 Cb 1.97 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.52 1xhg h ARG 142 CO 0.15 0.00 -1.34 -1.91 -1.51 0.00 0.00 179.97 175.37 1xhg n GLU 143 N -2.88 0.50 0.04 0.20 0.00 -0.45 -3.60 120.64 114.44 1xhg n GLU 143 Ca 0.01 -0.03 0.08 0.00 0.00 0.00 0.00 57.16 57.22 1xhg n GLU 143 Cb 0.28 -1.64 0.35 0.00 0.00 0.00 0.00 31.44 30.43 1xhg n GLU 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xhg n ALA 144 N -2.07 1.65 0.27 4.31 0.00 -1.10 -1.14 120.51 122.42 1xhg n ALA 144 Ca -0.01 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1xhg n ALA 144 Cb 0.51 -1.27 0.76 0.00 0.00 0.00 0.00 19.45 19.45 1xhg n ALA 144 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1xhg h GLN 145 N 0.00 0.00 0.00 0.00 4.20 -1.69 -1.44 115.11 116.18 1xhg h GLN 145 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xhg h GLN 145 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1xhg h GLN 145 CO 0.00 0.08 0.00 0.00 -0.67 0.00 0.00 178.83 178.24 1xhg n ALA 146 N -2.33 1.68 -0.51 3.87 0.00 -0.30 -4.82 120.51 118.11 1xhg n ALA 146 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1xhg n ALA 146 Cb 0.18 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1xhg n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xhg n GLY 147 N -0.17 1.48 3.17 0.00 0.00 -0.54 -5.06 105.19 104.07 1xhg n GLY 147 Ca 0.05 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 1xhg n GLY 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xhg s THR 148 N -2.00 1.08 -0.24 2.61 -4.23 -1.24 -5.09 115.64 106.53 1xhg s THR 148 Ca 0.00 -1.34 -0.39 0.00 -1.18 0.00 0.00 61.69 58.78 1xhg s THR 148 Cb 0.00 -1.09 -0.15 0.00 1.34 0.00 0.00 72.50 72.60 1xhg s THR 148 CO 0.00 -0.26 1.74 1.21 -0.54 0.00 0.00 174.62 176.77 1xhg n GLU 149 N 1.20 1.26 -1.60 3.99 2.13 -1.26 -4.55 120.64 121.81 1xhg n GLU 149 Ca -0.21 0.46 -0.45 0.00 0.66 0.00 0.00 57.16 57.63 1xhg n GLU 149 Cb 0.54 -2.16 -0.02 0.00 0.27 0.00 0.00 31.44 30.07 1xhg n GLU 149 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1xhg n GLN 150 N 5.40 1.40 -2.08 5.31 7.27 -1.26 -4.95 117.38 128.47 1xhg n GLN 150 Ca 0.26 0.49 -0.33 0.00 0.07 0.00 0.00 57.00 57.49 1xhg n GLN 150 Cb 0.15 -1.91 0.01 0.00 2.41 0.00 0.00 30.24 30.90 1xhg n GLN 150 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1xhg s LEU 151 N 0.39 3.52 0.24 1.69 1.43 -1.26 -5.00 118.68 119.69 1xhg s LEU 151 Ca 0.61 1.81 -0.02 0.00 -1.03 0.00 0.00 54.13 55.50 1xhg s LEU 151 Cb -0.71 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 40.93 1xhg s LEU 151 CO 0.58 -1.13 0.46 -0.76 0.23 0.00 0.00 176.35 175.73 1xhg s LEU 152 N -4.44 4.16 -0.05 1.79 1.43 0.85 -4.94 118.68 117.48 1xhg s LEU 152 Ca 0.64 0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 54.23 1xhg s LEU 152 Cb -0.16 -3.30 0.03 0.00 0.03 0.00 0.00 46.19 42.79 1xhg s LEU 152 CO 0.36 -0.11 0.04 -0.22 0.23 0.00 0.00 176.35 176.65 1xhg s LEU 153 N -3.46 0.33 0.06 1.79 2.96 -1.26 -1.21 118.68 117.90 1xhg s LEU 153 Ca 0.40 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1xhg s LEU 153 Cb -0.11 -0.23 -0.04 0.00 0.50 0.00 0.00 46.19 46.31 1xhg s LEU 153 CO 0.30 -0.23 -0.02 -0.94 -1.32 0.00 0.00 176.35 174.14 1xhg s SER 154 N 2.05 0.48 0.00 3.68 1.04 -0.84 0.92 113.70 121.02 1xhg s SER 154 Ca 0.04 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 55.46 1xhg s SER 154 Cb -0.12 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 1xhg s SER 154 CO -0.04 -0.62 -0.04 0.00 0.98 0.00 0.00 173.24 173.52 1xhg s ALA 155 N -3.93 0.35 -0.40 5.32 0.00 -1.17 -0.20 121.76 121.73 1xhg s ALA 155 Ca 0.10 -0.25 -0.15 0.00 0.00 0.00 0.00 51.96 51.66 1xhg s ALA 155 Cb 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1xhg s ALA 155 CO -0.08 0.06 0.29 0.00 0.00 0.00 0.00 175.76 176.03 1xhg s ALA 156 N -0.28 3.47 0.23 0.00 0.00 -0.92 -1.34 121.76 122.93 1xhg s ALA 156 Ca -0.00 -1.70 0.06 0.00 0.00 0.00 0.00 51.96 50.32 1xhg s ALA 156 Cb -0.03 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 1xhg s ALA 156 CO -0.00 -1.43 0.18 0.08 0.00 0.00 0.00 175.76 174.60 1xhg s VAL 157 N 1.67 4.48 0.64 0.00 1.01 -0.18 -4.74 120.40 123.28 1xhg s VAL 157 Ca 0.05 -1.30 -0.09 0.00 0.00 0.00 0.00 61.98 60.64 1xhg s VAL 157 Cb -0.19 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1xhg s VAL 157 CO 0.10 -0.28 0.99 -0.94 0.00 0.00 0.00 175.10 174.97 1xhg s SER 158 N -3.64 5.52 -0.15 3.32 1.04 -1.26 -1.31 113.70 117.21 1xhg s SER 158 Ca 0.32 0.91 0.18 0.00 0.48 0.00 0.00 55.95 57.84 1xhg s SER 158 Cb -0.08 -1.81 0.37 0.00 0.10 0.00 0.00 66.02 64.60 1xhg s SER 158 CO 0.25 -1.19 1.25 0.00 0.98 0.00 0.00 173.24 174.52 1xhg n ALA 159 N -2.78 2.58 -2.52 5.32 0.00 -1.26 -4.67 120.51 117.17 1xhg n ALA 159 Ca 0.06 -2.56 -0.42 0.00 0.00 0.00 0.00 53.44 50.52 1xhg n ALA 159 Cb 0.57 -0.49 -0.10 0.00 0.00 0.00 0.00 19.45 19.43 1xhg n ALA 159 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xhg s GLY 160 N -2.59 1.99 0.10 0.00 0.00 -1.26 -4.75 107.32 100.81 1xhg s GLY 160 Ca 0.36 -1.58 -0.10 0.00 0.00 0.00 0.00 44.72 43.39 1xhg s GLY 160 CO 0.04 0.85 0.72 1.17 0.00 0.00 0.00 173.10 175.89 1xhg n LYS 161 N 5.13 -0.14 -0.03 2.90 3.00 -1.26 0.19 118.16 127.94 1xhg n LYS 161 Ca -0.12 0.71 -0.07 0.00 -0.00 0.00 0.00 58.31 58.84 1xhg n LYS 161 Cb 0.48 -1.06 0.11 0.00 0.00 0.00 0.00 35.03 34.56 1xhg n LYS 161 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1xhg h ILE 162 N 0.00 1.29 -0.53 3.15 2.04 -1.95 -2.61 117.51 118.89 1xhg h ILE 162 Ca 0.13 -1.47 -0.08 0.00 1.00 0.00 0.00 64.86 64.45 1xhg h ILE 162 Cb 0.25 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1xhg h ILE 162 CO -0.46 0.47 0.02 0.00 0.00 0.00 0.00 178.15 178.18 1xhg h ALA 163 N 1.11 1.03 0.68 1.87 0.00 0.17 -2.32 119.26 121.80 1xhg h ALA 163 Ca 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1xhg h ALA 163 Cb 0.83 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1xhg h ALA 163 CO 0.07 0.60 -0.33 0.82 0.00 0.00 0.00 179.25 180.42 1xhg h ILE 164 N 0.83 0.00 -0.98 0.00 2.04 -0.46 -2.65 117.51 116.29 1xhg h ILE 164 Ca 0.16 -0.24 0.18 0.00 1.00 0.00 0.00 64.86 65.96 1xhg h ILE 164 Cb 0.47 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.44 1xhg h ILE 164 CO 0.02 0.00 0.59 0.44 0.00 0.00 0.00 178.15 179.20 1xhg h ASP 165 N -1.15 0.77 0.69 1.72 3.32 -1.53 -0.23 116.42 120.01 1xhg h ASP 165 Ca -0.09 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1xhg h ASP 165 Cb 0.70 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1xhg h ASP 165 CO 0.15 0.29 -0.45 -0.09 -1.72 0.00 0.00 179.24 177.42 1xhg h ARG 166 N 0.77 -1.04 -0.40 3.56 2.43 -1.38 -3.39 114.38 114.94 1xhg h ARG 166 Ca 0.56 0.07 -0.30 0.00 -0.81 0.00 0.00 59.98 59.50 1xhg h ARG 166 Cb 0.82 0.24 -0.30 0.00 -0.42 0.00 0.00 29.97 30.30 1xhg h ARG 166 CO -0.37 -0.69 -0.81 0.41 -1.51 0.00 0.00 179.97 177.00 1xhg n GLY 167 N -1.56 4.60 2.77 2.80 0.00 -1.00 -3.72 105.19 109.06 1xhg n GLY 167 Ca -0.13 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 43.93 1xhg n GLY 167 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xhg s TYR 168 N -3.11 -0.03 -1.11 1.61 2.02 -0.13 -4.43 117.35 112.17 1xhg s TYR 168 Ca 0.41 0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 57.37 1xhg s TYR 168 Cb 0.38 -0.31 0.29 0.00 -0.40 0.00 0.00 41.96 41.92 1xhg s TYR 168 CO -0.03 -0.17 1.40 -3.47 -1.57 0.00 0.00 175.55 171.71 1xhg n ASP 169 N 4.83 6.07 -0.21 2.29 -0.08 -1.26 -4.73 116.55 123.46 1xhg n ASP 169 Ca -0.14 -3.28 0.01 0.00 -1.51 0.00 0.00 54.79 49.87 1xhg n ASP 169 Cb 0.50 -1.32 0.10 0.00 2.34 0.00 0.00 41.12 42.74 1xhg n ASP 169 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1xhg h ILE 170 N 3.54 0.45 -0.98 5.18 1.08 -1.93 -0.45 117.51 124.40 1xhg h ILE 170 Ca 0.21 -0.03 0.26 0.00 -0.39 0.00 0.00 64.86 64.91 1xhg h ILE 170 Cb 0.69 0.35 -0.13 0.00 -3.07 0.00 0.00 36.82 34.67 1xhg h ILE 170 CO 1.26 0.02 0.55 0.00 -0.69 0.00 0.00 178.15 179.29 1xhg h ALA 171 N 1.59 1.76 0.21 1.87 0.00 -1.88 -0.82 119.26 121.99 1xhg h ALA 171 Ca 0.33 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1xhg h ALA 171 Cb 0.53 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1xhg h ALA 171 CO -0.57 -0.35 -0.10 1.96 0.00 0.00 0.00 179.25 180.19 1xhg h GLN 172 N 0.49 -0.27 0.00 0.00 1.08 -1.47 -3.33 115.11 111.61 1xhg h GLN 172 Ca 0.65 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.87 1xhg h GLN 172 Cb 1.29 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.78 1xhg h GLN 172 CO -0.51 -0.18 0.00 0.44 -0.95 0.00 0.00 178.83 177.63 1xhg n ILE 173 N -4.88 0.97 0.19 2.54 -5.35 -0.84 -1.00 119.36 110.99 1xhg n ILE 173 Ca -0.03 0.24 0.08 0.00 -0.27 0.00 0.00 62.75 62.77 1xhg n ILE 173 Cb 0.11 -1.03 0.29 0.00 -1.74 0.00 0.00 39.64 37.27 1xhg n ILE 173 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1xhg h SER 174 N 0.00 0.00 -0.09 7.28 0.02 -1.26 -2.60 113.55 116.89 1xhg h SER 174 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xhg h SER 174 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1xhg h SER 174 CO 0.00 0.29 0.00 -2.11 -1.14 0.00 0.00 176.83 173.87 1xhg n ARG 175 N -3.30 1.91 -0.05 3.45 1.85 -0.17 -4.28 116.66 116.06 1xhg n ARG 175 Ca 0.01 -1.34 -0.07 0.00 -1.00 0.00 0.00 57.85 55.46 1xhg n ARG 175 Cb 0.54 -1.46 -0.06 0.00 -1.05 0.00 0.00 32.46 30.43 1xhg n ARG 175 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1xhg n HIS 176 N 0.60 0.00 -1.73 2.89 8.25 -1.13 -5.03 115.22 119.06 1xhg n HIS 176 Ca 0.17 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.31 1xhg n HIS 176 Cb 0.43 -0.43 0.05 0.00 1.12 0.00 0.00 29.99 31.16 1xhg n HIS 176 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xhg s LEU 177 N -5.32 3.36 0.08 2.41 1.43 -0.99 -4.88 118.68 114.76 1xhg s LEU 177 Ca -0.12 1.95 0.15 0.00 -1.03 0.00 0.00 54.13 55.08 1xhg s LEU 177 Cb 0.03 -4.54 -0.13 0.00 0.03 0.00 0.00 46.19 41.58 1xhg s LEU 177 CO 0.29 -1.61 0.92 0.44 0.23 0.00 0.00 176.35 176.62 1xhg h ASP 178 N -0.07 0.00 -4.59 2.29 3.32 0.19 -3.48 116.42 114.08 1xhg h ASP 178 Ca -0.46 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.66 1xhg h ASP 178 Cb 1.24 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.62 1xhg h ASP 178 CO 0.54 0.67 0.45 0.72 -1.72 0.00 0.00 179.24 179.90 1xhg s PHE 179 N -2.86 -0.40 -0.15 4.55 -0.71 -1.25 -4.81 117.98 112.35 1xhg s PHE 179 Ca -0.02 0.42 0.01 0.00 -1.04 0.00 0.00 56.93 56.30 1xhg s PHE 179 Cb 0.08 0.51 0.02 0.00 -1.21 0.00 0.00 43.02 42.42 1xhg s PHE 179 CO 0.80 -0.53 -0.16 0.42 -1.34 0.00 0.00 175.22 174.41 1xhg s ILE 180 N -2.50 1.71 -0.36 -4.49 1.01 0.40 -3.04 121.20 113.93 1xhg s ILE 180 Ca 0.01 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 1xhg s ILE 180 Cb -0.01 -1.57 -0.00 0.00 0.01 0.00 0.00 42.46 40.89 1xhg s ILE 180 CO -0.05 0.48 0.37 -0.44 0.00 0.00 0.00 174.94 175.31 1xhg s SER 181 N 1.29 6.18 -0.11 3.58 0.01 -0.45 0.18 113.70 124.38 1xhg s SER 181 Ca 0.02 -0.38 -0.28 0.00 1.31 0.00 0.00 55.95 56.62 1xhg s SER 181 Cb -0.13 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 1xhg s SER 181 CO -0.09 -0.40 0.92 -0.76 0.41 0.00 0.00 173.24 173.32 1xhg s LEU 182 N 2.02 4.25 -1.10 2.44 1.43 0.00 -1.02 118.68 126.70 1xhg s LEU 182 Ca 0.11 1.40 -0.08 0.00 -1.03 0.00 0.00 54.13 54.53 1xhg s LEU 182 Cb -0.17 -3.41 -0.12 0.00 0.03 0.00 0.00 46.19 42.52 1xhg s LEU 182 CO 0.12 -0.38 2.90 0.18 0.23 0.00 0.00 176.35 179.41 1xhg n LEU 183 N 4.82 7.11 -2.76 1.79 4.77 -0.43 -1.32 117.00 130.97 1xhg n LEU 183 Ca 0.06 -3.75 -0.13 0.00 -0.03 0.00 0.00 56.01 52.16 1xhg n LEU 183 Cb 0.49 -1.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.13 1xhg n LEU 183 CO 0.50 1.67 1.66 0.35 -1.33 0.00 0.00 177.39 180.25 1xhg n THR 184 N 3.44 1.78 -1.80 -5.08 -2.24 -1.26 -3.61 114.28 105.50 1xhg n THR 184 Ca 0.63 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1xhg n THR 184 Cb 0.36 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 1xhg n THR 184 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xhg n TYR 185 N 3.65 0.00 -3.00 4.78 0.18 -1.26 -4.73 117.16 116.78 1xhg n TYR 185 Ca 0.30 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.84 1xhg n TYR 185 Cb 0.25 0.11 -0.04 0.00 -0.38 0.00 0.00 39.34 39.29 1xhg n TYR 185 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1xhg n ASP 186 N 0.00 3.46 -1.94 9.48 2.03 -1.18 -4.35 116.55 124.04 1xhg n ASP 186 Ca 0.00 -3.50 0.03 0.00 0.52 0.00 0.00 54.79 51.85 1xhg n ASP 186 Cb 0.54 -0.58 0.38 0.00 -0.72 0.00 0.00 41.12 40.74 1xhg n ASP 186 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1xhg n PHE 187 N -0.10 2.22 -3.21 -0.67 3.72 -0.73 -4.96 117.46 113.72 1xhg n PHE 187 Ca 0.29 -0.86 0.00 0.00 -0.05 0.00 0.00 57.45 56.83 1xhg n PHE 187 Cb 0.47 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 1xhg n PHE 187 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1xhg n HIS 188 N 0.41 -0.11 0.00 1.38 -0.00 -1.26 -4.78 115.22 110.87 1xhg n HIS 188 Ca 0.32 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.50 1xhg n HIS 188 Cb 1.26 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 31.13 1xhg n HIS 188 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xhg n GLY 189 N 0.00 2.81 0.00 1.57 0.00 -1.26 -4.96 105.19 103.35 1xhg n GLY 189 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1xhg n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhg n ALA 190 N 0.00 0.00 1.06 4.61 0.00 -1.26 -3.91 120.51 121.00 1xhg n ALA 190 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1xhg n ALA 190 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1xhg n ALA 190 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1xhg n TRP 191 N 0.00 0.21 -3.84 0.00 4.27 -1.26 -4.02 117.44 112.80 1xhg n TRP 191 Ca 0.00 -0.08 -0.30 0.00 -3.89 0.00 0.00 57.50 53.23 1xhg n TRP 191 Cb 0.00 -0.10 -0.15 0.00 -1.36 0.00 0.00 31.31 29.69 1xhg n TRP 191 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 1xhg s ARG 192 N -1.41 1.11 0.00 -2.67 0.52 -1.25 -4.99 118.95 110.26 1xhg s ARG 192 Ca 0.06 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.20 1xhg s ARG 192 Cb 0.04 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 33.13 1xhg s ARG 192 CO 0.03 -0.80 0.00 1.04 0.02 0.00 0.00 175.30 175.58 1xhg n GLN 193 N 4.73 0.00 -4.21 3.54 1.13 -1.26 -4.60 117.38 116.71 1xhg n GLN 193 Ca -0.05 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.88 1xhg n GLN 193 Cb 0.43 -1.10 -0.10 0.00 0.11 0.00 0.00 30.24 29.58 1xhg n GLN 193 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1xhg s THR 194 N -0.41 0.26 0.76 5.09 -4.23 -1.26 -2.19 115.64 113.66 1xhg s THR 194 Ca 0.00 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 58.43 1xhg s THR 194 Cb 0.00 -2.31 0.05 0.00 1.34 0.00 0.00 72.50 71.58 1xhg s THR 194 CO 0.00 -0.24 1.13 0.68 -0.54 0.00 0.00 174.62 175.65 1xhg s VAL 195 N -3.95 2.83 0.00 2.29 -7.23 -0.86 -4.76 120.40 108.72 1xhg s VAL 195 Ca 0.31 0.27 0.00 0.00 -1.81 0.00 0.00 61.98 60.75 1xhg s VAL 195 Cb 0.07 -3.24 0.00 0.00 0.56 0.00 0.00 36.38 33.77 1xhg s VAL 195 CO 0.07 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 1xhg n GLY 196 N -3.05 2.17 3.72 2.32 0.00 -1.26 -4.49 105.19 104.60 1xhg n GLY 196 Ca 0.07 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 1xhg n GLY 196 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xhg s HIS 197 N -2.00 3.39 -0.65 1.61 2.46 -1.26 -4.88 115.29 113.96 1xhg s HIS 197 Ca 0.00 0.30 0.25 0.00 0.47 0.00 0.00 55.06 56.08 1xhg s HIS 197 Cb 0.00 -2.16 0.66 0.00 -0.13 0.00 0.00 32.58 30.95 1xhg s HIS 197 CO 0.00 0.26 1.70 1.12 -2.47 0.00 0.00 174.74 175.35 1xhg h HIS 198 N 6.74 0.00 -1.87 3.88 2.07 -1.86 -3.38 115.15 120.73 1xhg h HIS 198 Ca -0.40 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 56.63 1xhg h HIS 198 Cb 1.15 0.00 -0.40 0.00 2.57 0.00 0.00 27.41 30.73 1xhg h HIS 198 CO 0.59 0.00 -1.07 -1.13 -3.07 0.00 0.00 177.93 173.24 1xhg n SER 199 N -2.46 1.80 -4.86 3.10 3.41 -1.26 -1.77 113.62 111.58 1xhg n SER 199 Ca 0.05 -3.12 -0.31 0.00 -0.26 0.00 0.00 58.87 55.23 1xhg n SER 199 Cb 0.46 -0.59 0.02 0.00 -0.26 0.00 0.00 64.21 63.84 1xhg n SER 199 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1xhg s PRO 200 N -2.79 3.48 -0.21 4.33 0.04 -1.26 -4.93 135.00 133.65 1xhg s PRO 200 Ca 0.40 0.82 -0.15 0.00 0.04 0.00 0.00 61.00 62.11 1xhg s PRO 200 Cb 0.36 -2.06 -0.19 0.00 0.04 0.00 0.00 34.50 32.65 1xhg s PRO 200 CO -0.08 -0.67 0.07 -0.11 0.04 0.00 0.00 177.00 176.26 1xhg n LEU 201 N -2.73 2.15 -4.49 -3.56 7.94 -1.03 -1.57 117.00 113.70 1xhg n LEU 201 Ca 0.06 0.31 -0.26 0.00 -1.11 0.00 0.00 56.01 55.01 1xhg n LEU 201 Cb 0.54 -0.96 -0.10 0.00 0.53 0.00 0.00 43.42 43.42 1xhg n LEU 201 CO 0.56 0.53 -0.48 -0.36 -1.11 0.00 0.00 177.39 176.54 1xhg s PHE 202 N -2.45 2.42 0.39 1.96 0.08 -1.22 -1.46 117.98 117.69 1xhg s PHE 202 Ca -0.30 -0.31 0.12 0.00 0.12 0.00 0.00 56.93 56.56 1xhg s PHE 202 Cb 0.08 -1.16 0.93 0.00 -0.57 0.00 0.00 43.02 42.31 1xhg s PHE 202 CO 0.61 0.55 1.88 0.07 -0.10 0.00 0.00 175.22 178.22 1xhg h ARG 203 N 2.89 0.54 -4.93 0.44 -0.00 -1.88 -3.40 114.38 108.05 1xhg h ARG 203 Ca -0.45 -0.03 0.01 0.00 -0.00 0.00 0.00 59.98 59.50 1xhg h ARG 203 Cb 1.22 -0.12 -0.08 0.00 -0.00 0.00 0.00 29.97 30.99 1xhg h ARG 203 CO 0.52 0.36 -1.29 0.41 -0.00 0.00 0.00 179.97 179.97 1xhg n GLY 204 N -1.47 -4.81 0.09 0.08 0.00 -1.26 -4.53 105.19 93.27 1xhg n GLY 204 Ca 0.17 1.19 0.05 0.00 0.00 0.00 0.00 46.02 47.43 1xhg n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhg n GLN 205 N 1.23 0.00 -0.03 1.61 10.64 -1.26 -2.83 117.38 126.74 1xhg n GLN 205 Ca -0.24 0.16 -0.15 0.00 -1.83 0.00 0.00 57.00 54.93 1xhg n GLN 205 Cb 0.37 -0.38 -0.11 0.00 -0.86 0.00 0.00 30.24 29.26 1xhg n GLN 205 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1xhg h GLU 206 N 0.00 0.17 -3.97 2.61 5.08 -1.99 -3.45 114.58 113.03 1xhg h GLU 206 Ca 0.09 -0.18 -0.48 0.00 -1.00 0.00 0.00 59.36 57.79 1xhg h GLU 206 Cb 0.47 0.05 -0.37 0.00 0.50 0.00 0.00 28.75 29.40 1xhg h GLU 206 CO -0.00 0.92 -0.78 0.34 -1.00 0.00 0.00 179.01 178.48 1xhg s ASP 207 N -6.31 1.82 -0.27 1.42 2.15 -1.13 -5.07 116.67 109.27 1xhg s ASP 207 Ca -0.16 -0.19 -0.00 0.00 0.43 0.00 0.00 52.55 52.63 1xhg s ASP 207 Cb 0.01 -0.63 0.08 0.00 -0.30 0.00 0.00 42.92 42.09 1xhg s ASP 207 CO 0.74 -0.15 0.04 0.00 -0.17 0.00 0.00 175.17 175.63 1xhg s ALA 208 N 1.77 1.76 0.00 3.66 0.00 -1.26 -4.48 121.76 123.21 1xhg s ALA 208 Ca 0.04 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1xhg s ALA 208 Cb -0.13 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.45 1xhg s ALA 208 CO -0.06 -1.46 0.00 0.43 0.00 0.00 0.00 175.76 174.67 1xhg n SER 209 N 4.75 0.00 -3.11 0.00 7.64 -1.26 -4.72 113.62 116.92 1xhg n SER 209 Ca -0.05 -0.04 -0.18 0.00 1.01 0.00 0.00 58.87 59.61 1xhg n SER 209 Cb 0.43 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 1xhg n SER 209 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xhg n SER 210 N 0.00 0.03 -0.03 6.43 7.64 -1.26 -4.88 113.62 121.55 1xhg n SER 210 Ca 0.00 -3.03 -0.04 0.00 1.01 0.00 0.00 58.87 56.81 1xhg n SER 210 Cb 0.01 -0.16 0.18 0.00 -1.01 0.00 0.00 64.21 63.23 1xhg n SER 210 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1xhg h ARG 212 N 3.32 0.60 -0.80 1.43 1.12 -1.84 -1.42 114.38 116.79 1xhg h ARG 212 Ca 0.05 -0.21 0.00 0.00 -1.11 0.00 0.00 59.98 58.72 1xhg h ARG 212 Cb 0.97 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.88 1xhg h ARG 212 CO 0.43 0.75 0.00 1.19 -3.11 0.00 0.00 179.97 179.23 1xhg n PHE 213 N -4.15 0.88 -3.47 2.20 3.72 -1.26 -4.51 117.46 110.86 1xhg n PHE 213 Ca 0.00 -0.31 -0.30 0.00 -0.05 0.00 0.00 57.45 56.80 1xhg n PHE 213 Cb 0.37 -0.27 -0.07 0.00 -0.94 0.00 0.00 39.48 38.57 1xhg n PHE 213 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1xhg n SER 214 N 0.28 4.04 -3.53 4.37 7.64 -0.54 -4.47 113.62 121.40 1xhg n SER 214 Ca 0.12 -3.37 -0.11 0.00 1.01 0.00 0.00 58.87 56.52 1xhg n SER 214 Cb 0.64 -0.80 -0.04 0.00 -1.01 0.00 0.00 64.21 63.00 1xhg n SER 214 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xhg s ASN 215 N -2.00 -0.41 0.21 6.43 2.20 -1.26 -4.83 114.94 115.28 1xhg s ASN 215 Ca 0.35 0.27 -0.11 0.00 -0.94 0.00 0.00 52.86 52.43 1xhg s ASN 215 Cb 0.08 0.38 0.29 0.00 -2.00 0.00 0.00 41.25 40.00 1xhg s ASN 215 CO -0.03 -0.51 1.66 0.00 -2.94 0.00 0.00 177.10 175.27 1xhg h ALA 216 N 2.38 0.58 0.09 3.54 0.00 -1.32 -2.34 119.26 122.19 1xhg h ALA 216 Ca -0.21 0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1xhg h ALA 216 Cb 1.20 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 1xhg h ALA 216 CO 0.32 -0.40 -0.41 0.22 0.00 0.00 0.00 179.25 178.98 1xhg h ASP 217 N 0.10 -1.22 -0.81 0.00 1.82 -1.53 -0.04 116.42 114.73 1xhg h ASP 217 Ca 0.32 0.14 0.06 0.00 -0.39 0.00 0.00 57.03 57.16 1xhg h ASP 217 Cb 0.52 0.46 -0.05 0.00 0.68 0.00 0.00 39.33 40.95 1xhg h ASP 217 CO -0.55 -0.47 0.53 0.22 -1.61 0.00 0.00 179.24 177.36 1xhg h TYR 218 N -0.62 0.92 -0.82 0.28 3.20 -1.82 -1.54 116.97 116.57 1xhg h TYR 218 Ca 0.03 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1xhg h TYR 218 Cb 0.66 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 1xhg h TYR 218 CO -0.38 0.50 0.49 0.00 -1.64 0.00 0.00 178.16 177.13 1xhg h ALA 219 N 1.55 1.30 0.03 1.82 0.00 -0.49 -0.31 119.26 123.17 1xhg h ALA 219 Ca 0.34 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1xhg h ALA 219 Cb 0.18 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xhg h ALA 219 CO -0.12 0.59 -0.34 0.28 0.00 0.00 0.00 179.25 179.67 1xhg h VAL 220 N 1.14 1.60 -0.98 0.00 2.07 -0.81 -2.33 116.25 116.94 1xhg h VAL 220 Ca 0.30 -2.20 0.18 0.00 0.82 0.00 0.00 66.70 65.80 1xhg h VAL 220 Cb -0.03 3.03 -0.10 0.00 -1.52 0.00 0.00 31.29 32.66 1xhg h VAL 220 CO -0.05 0.60 0.59 0.28 0.02 0.00 0.00 177.57 179.00 1xhg h SER 221 N -0.58 0.76 0.38 0.57 0.02 -1.19 -1.55 113.55 111.96 1xhg h SER 221 Ca -0.05 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1xhg h SER 221 Cb 1.17 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1xhg h SER 221 CO 0.06 0.28 -0.18 0.22 -1.14 0.00 0.00 176.83 176.07 1xhg h TYR 222 N 0.76 -0.47 -1.01 3.45 3.20 -1.03 -2.49 116.97 119.38 1xhg h TYR 222 Ca 0.56 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.65 1xhg h TYR 222 Cb 0.84 0.16 -0.12 0.00 1.54 0.00 0.00 36.73 39.14 1xhg h TYR 222 CO -0.02 -0.15 0.60 0.52 -1.64 0.00 0.00 178.16 177.48 1xhg h MET 223 N -0.96 0.61 -0.44 1.82 2.86 -1.15 0.26 114.93 117.93 1xhg h MET 223 Ca -0.05 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1xhg h MET 223 Cb 0.54 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1xhg h MET 223 CO 0.09 0.40 0.05 -0.07 1.06 0.00 0.00 176.91 178.44 1xhg h LEU 224 N 0.63 0.65 -0.06 1.22 3.38 -1.02 -2.28 115.31 117.82 1xhg h LEU 224 Ca 0.62 -0.13 -0.22 0.00 0.09 0.00 0.00 57.88 58.25 1xhg h LEU 224 Cb 1.14 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.73 1xhg h LEU 224 CO -0.44 0.69 -0.81 -0.09 0.09 0.00 0.00 178.44 177.87 1xhg h ARG 225 N 0.66 0.66 0.00 1.13 1.12 -0.12 -2.82 114.38 115.01 1xhg h ARG 225 Ca 0.14 -0.63 0.00 0.00 -1.11 0.00 0.00 59.98 58.38 1xhg h ARG 225 Cb 0.34 0.16 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 1xhg h ARG 225 CO 0.01 1.23 0.00 1.28 -3.11 0.00 0.00 179.97 179.38 1xhg n LEU 226 N -4.00 0.58 0.00 3.80 4.77 -0.11 -4.81 117.00 117.23 1xhg n LEU 226 Ca -0.09 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1xhg n LEU 226 Cb 0.77 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1xhg n LEU 226 CO 0.52 -0.79 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 1xhg n GLY 227 N -0.79 0.57 3.65 -0.72 0.00 -0.96 -3.93 105.19 103.00 1xhg n GLY 227 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1xhg n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhg s ALA 228 N -1.40 3.61 0.52 4.61 0.00 -0.90 -4.81 121.76 123.39 1xhg s ALA 228 Ca 0.00 0.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.78 1xhg s ALA 228 Cb 0.00 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 1xhg s ALA 228 CO 0.00 -1.21 1.18 -1.25 0.00 0.00 0.00 175.76 174.48 1xhg s PRO 229 N 3.32 3.41 0.41 0.00 0.04 -1.26 -4.42 135.00 136.50 1xhg s PRO 229 Ca 0.43 1.77 0.14 0.00 0.04 0.00 0.00 61.00 63.38 1xhg s PRO 229 Cb -0.14 -2.16 0.86 0.00 0.04 0.00 0.00 34.50 33.10 1xhg s PRO 229 CO 0.10 -0.84 1.90 0.00 0.04 0.00 0.00 177.00 178.20 1xhg h ALA 230 N 1.47 1.52 0.00 8.56 0.00 -1.93 -2.50 119.26 126.38 1xhg h ALA 230 Ca -0.50 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1xhg h ALA 230 Cb 1.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xhg h ALA 230 CO 0.58 0.35 0.00 0.27 0.00 0.00 0.00 179.25 180.45 1xhg n ASN 231 N -4.18 0.00 0.00 0.00 6.94 -1.26 -1.23 115.26 115.52 1xhg n ASN 231 Ca -0.02 -1.25 0.00 0.00 -0.02 0.00 0.00 54.58 53.29 1xhg n ASN 231 Cb 0.33 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 1xhg n ASN 231 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1xhg n LYS 232 N -0.55 0.81 -4.08 -3.83 5.02 -0.94 -4.61 118.16 109.99 1xhg n LYS 232 Ca 0.02 -0.75 -0.35 0.00 -2.02 0.00 0.00 58.31 55.20 1xhg n LYS 232 Cb 0.01 -0.77 -0.09 0.00 -0.02 0.00 0.00 35.03 34.16 1xhg n LYS 232 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xhg s LEU 233 N -0.34 3.87 -0.07 -0.35 1.43 -1.08 0.15 118.68 122.29 1xhg s LEU 233 Ca 0.00 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1xhg s LEU 233 Cb 0.00 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.29 1xhg s LEU 233 CO 0.00 0.28 -0.07 -0.69 0.23 0.00 0.00 176.35 176.09 1xhg s VAL 234 N -0.24 0.85 -0.00 -1.59 1.01 0.13 -1.52 120.40 119.03 1xhg s VAL 234 Ca 0.08 -0.26 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 1xhg s VAL 234 Cb -0.12 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1xhg s VAL 234 CO 0.01 0.31 0.76 -0.32 0.00 0.00 0.00 175.10 175.86 1xhg s MET 235 N 1.17 4.47 0.00 2.72 1.75 -0.71 -0.82 119.30 127.89 1xhg s MET 235 Ca -0.06 1.02 -0.24 0.00 -1.25 0.00 0.00 55.69 55.17 1xhg s MET 235 Cb -0.14 -3.40 -0.05 0.00 2.84 0.00 0.00 34.83 34.08 1xhg s MET 235 CO -0.02 0.17 0.72 0.20 -0.65 0.00 0.00 175.02 175.44 1xhg s GLY 236 N 0.37 2.71 -0.14 2.11 0.00 -0.43 -0.24 107.32 111.70 1xhg s GLY 236 Ca 0.39 0.19 0.02 0.00 0.00 0.00 0.00 44.72 45.33 1xhg s GLY 236 CO 0.21 1.06 -0.21 -0.42 0.00 0.00 0.00 173.10 173.75 1xhg s ILE 237 N 0.17 1.96 0.81 0.90 1.01 0.90 -4.24 121.20 122.71 1xhg s ILE 237 Ca 0.37 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 1xhg s ILE 237 Cb -0.19 -1.74 0.08 0.00 0.01 0.00 0.00 42.46 40.62 1xhg s ILE 237 CO 0.20 0.53 1.10 -2.84 0.00 0.00 0.00 174.94 173.93 1xhg s PRO 238 N 0.90 1.93 0.00 2.79 0.02 -1.26 -2.07 135.00 137.30 1xhg s PRO 238 Ca -0.06 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.12 1xhg s PRO 238 Cb -0.15 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1xhg s PRO 238 CO -0.03 -1.87 0.23 -2.37 -0.33 0.00 0.00 177.00 172.63 1xhg n THR 239 N -3.68 0.00 -4.68 0.99 5.66 -1.23 -4.83 114.28 106.52 1xhg n THR 239 Ca 0.09 -0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.79 1xhg n THR 239 Cb 0.53 1.54 -0.06 0.00 -1.55 0.00 0.00 70.33 70.79 1xhg n THR 239 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 1xhg n PHE 240 N -0.00 0.95 -4.01 1.09 -1.74 -1.26 -2.52 117.46 109.96 1xhg n PHE 240 Ca 0.00 -2.39 -0.08 0.00 -0.56 0.00 0.00 57.45 54.43 1xhg n PHE 240 Cb 0.36 -0.26 -0.09 0.00 1.52 0.00 0.00 39.48 41.01 1xhg n PHE 240 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 1xhg s GLY 241 N -3.59 0.34 -0.07 4.97 0.00 -0.45 -4.42 107.32 104.09 1xhg s GLY 241 Ca 0.03 -0.97 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 1xhg s GLY 241 CO 0.02 -1.10 0.07 0.54 0.00 0.00 0.00 173.10 172.63 1xhg s LYS 242 N -3.64 3.15 0.06 2.90 -0.14 -0.45 -1.99 119.74 119.63 1xhg s LYS 242 Ca 0.04 -0.34 0.09 0.00 -1.36 0.00 0.00 55.97 54.40 1xhg s LYS 242 Cb 0.05 -2.94 -0.03 0.00 -1.68 0.00 0.00 37.83 33.24 1xhg s LYS 242 CO -0.09 0.71 -0.24 -1.54 -0.76 0.00 0.00 175.35 173.43 1xhg s SER 243 N -1.18 2.94 0.06 2.83 1.04 -0.65 -0.18 113.70 118.56 1xhg s SER 243 Ca 0.17 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 56.03 1xhg s SER 243 Cb -0.12 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.73 1xhg s SER 243 CO 0.06 0.21 -0.10 -0.36 0.98 0.00 0.00 173.24 174.03 1xhg s PHE 244 N -0.86 0.87 -0.33 5.02 0.40 -0.29 -0.34 117.98 122.46 1xhg s PHE 244 Ca 0.10 -0.53 -0.17 0.00 -0.60 0.00 0.00 56.93 55.74 1xhg s PHE 244 Cb -0.10 -0.50 -0.01 0.00 0.51 0.00 0.00 43.02 42.92 1xhg s PHE 244 CO 0.03 -0.04 0.47 0.99 0.70 0.00 0.00 175.22 177.37 1xhg s THR 245 N -1.57 5.07 0.49 0.64 2.01 0.20 -1.33 115.64 121.14 1xhg s THR 245 Ca -0.05 0.33 -0.24 0.00 0.31 0.00 0.00 61.69 62.04 1xhg s THR 245 Cb -0.08 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.45 1xhg s THR 245 CO 0.01 -0.14 1.40 0.18 -0.69 0.00 0.00 174.62 175.38 1xhg n LEU 246 N 5.61 5.23 -0.69 4.42 4.77 0.01 -2.00 117.00 134.35 1xhg n LEU 246 Ca -0.06 1.07 0.11 0.00 -0.03 0.00 0.00 56.01 57.10 1xhg n LEU 246 Cb 0.49 -1.59 0.04 0.00 -2.33 0.00 0.00 43.42 40.03 1xhg n LEU 246 CO 0.43 -0.33 0.44 0.00 -1.33 0.00 0.00 177.39 176.60 1xhg n ALA 247 N -0.51 3.11 -3.81 -1.18 0.00 -0.68 -4.54 120.51 112.89 1xhg n ALA 247 Ca 0.07 -0.66 -0.09 0.00 0.00 0.00 0.00 53.44 52.76 1xhg n ALA 247 Cb 0.42 -0.80 0.03 0.00 0.00 0.00 0.00 19.45 19.10 1xhg n ALA 247 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xhg s SER 248 N -2.28 0.01 -0.01 0.00 1.04 -1.26 -4.94 113.70 106.27 1xhg s SER 248 Ca 0.22 -1.14 0.02 0.00 0.48 0.00 0.00 55.95 55.53 1xhg s SER 248 Cb 0.19 0.84 0.06 0.00 0.10 0.00 0.00 66.02 67.21 1xhg s SER 248 CO 0.46 -1.67 0.93 -1.54 0.98 0.00 0.00 173.24 172.39 1xhg n SER 249 N -1.44 0.60 -4.70 7.02 3.41 -1.26 -4.77 113.62 112.49 1xhg n SER 249 Ca -0.08 -2.02 -0.41 0.00 -0.26 0.00 0.00 58.87 56.09 1xhg n SER 249 Cb 0.60 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 1xhg n SER 249 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1xhg s LYS 250 N -1.72 4.46 -0.06 4.33 2.47 -1.26 -4.87 119.74 123.09 1xhg s LYS 250 Ca 0.04 1.21 0.06 0.00 -1.56 0.00 0.00 55.97 55.73 1xhg s LYS 250 Cb 0.02 -3.49 -0.09 0.00 -1.46 0.00 0.00 37.83 32.81 1xhg s LYS 250 CO 0.02 -0.12 0.05 2.41 0.16 0.00 0.00 175.35 177.87 1xhg n THR 251 N 4.13 0.40 -0.90 3.43 -1.04 -1.26 -4.74 114.28 114.30 1xhg n THR 251 Ca 0.04 -0.28 -0.29 0.00 -2.04 0.00 0.00 64.05 61.49 1xhg n THR 251 Cb 0.50 -0.61 0.21 0.00 -1.82 0.00 0.00 70.33 68.61 1xhg n THR 251 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1xhg s ASP 252 N -3.69 1.98 0.21 8.00 -4.77 -1.26 -4.74 116.67 112.40 1xhg s ASP 252 Ca -0.03 1.37 -0.29 0.00 -3.30 0.00 0.00 52.55 50.30 1xhg s ASP 252 Cb 0.03 -2.08 -0.16 0.00 -1.09 0.00 0.00 42.92 39.61 1xhg s ASP 252 CO 0.29 -3.56 0.73 0.52 0.70 0.00 0.00 175.17 173.85 1xhg n VAL 253 N -4.48 1.81 -0.93 2.11 0.31 -1.26 -1.95 118.33 113.95 1xhg n VAL 253 Ca 0.05 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1xhg n VAL 253 Cb 0.56 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1xhg n VAL 253 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xhg n GLY 254 N 1.76 0.92 3.47 2.92 0.00 -1.26 -5.02 105.19 107.98 1xhg n GLY 254 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1xhg n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhg n ALA 255 N 0.99 -1.19 -1.86 4.61 0.00 -0.82 -4.64 120.51 117.60 1xhg n ALA 255 Ca 0.00 0.08 -0.40 0.00 0.00 0.00 0.00 53.44 53.11 1xhg n ALA 255 Cb 0.00 -1.82 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 1xhg n ALA 255 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xhg s PRO 256 N -1.85 4.75 -0.06 0.00 0.04 -1.26 -2.02 135.00 134.59 1xhg s PRO 256 Ca 0.66 1.59 0.02 0.00 0.04 0.00 0.00 61.00 63.31 1xhg s PRO 256 Cb -0.52 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 30.73 1xhg s PRO 256 CO 0.56 0.35 -0.11 0.08 0.04 0.00 0.00 177.00 177.92 1xhg s VAL 257 N -0.91 3.29 -2.66 -0.36 1.01 -0.93 -1.69 120.40 118.15 1xhg s VAL 257 Ca 0.44 -0.63 0.22 0.00 0.00 0.00 0.00 61.98 62.00 1xhg s VAL 257 Cb -0.28 -2.32 0.19 0.00 0.00 0.00 0.00 36.38 33.97 1xhg s VAL 257 CO 0.34 0.59 1.19 -1.54 0.00 0.00 0.00 175.10 175.68 1xhg n SER 258 N 2.40 2.83 0.00 3.32 3.41 -0.85 -4.68 113.62 120.06 1xhg n SER 258 Ca -0.17 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 1xhg n SER 258 Cb 0.52 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1xhg n SER 258 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xhg n GLY 259 N 1.22 1.33 3.53 5.00 0.00 -1.25 -4.98 105.19 110.04 1xhg n GLY 259 Ca 0.13 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 1xhg n GLY 259 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xhg s PRO 260 N -1.75 -0.98 0.67 1.61 0.04 -1.26 0.58 135.00 133.91 1xhg s PRO 260 Ca 0.00 0.44 -0.11 0.00 0.04 0.00 0.00 61.00 61.37 1xhg s PRO 260 Cb 0.00 -1.58 -0.00 0.00 0.04 0.00 0.00 34.50 32.96 1xhg s PRO 260 CO 0.00 -3.66 1.06 0.20 0.04 0.00 0.00 177.00 174.64 1xhg s GLY 261 N -3.14 1.63 0.50 0.56 0.00 0.54 -2.65 107.32 104.77 1xhg s GLY 261 Ca 0.68 -0.30 -0.20 0.00 0.00 0.00 0.00 44.72 44.90 1xhg s GLY 261 CO 0.60 0.03 1.09 -0.26 0.00 0.00 0.00 173.10 174.56 1xhg s ILE 262 N -3.28 3.48 0.89 0.90 -4.36 -1.26 -2.54 121.20 115.03 1xhg s ILE 262 Ca 0.57 0.94 -0.11 0.00 -0.26 0.00 0.00 60.65 61.79 1xhg s ILE 262 Cb -0.11 -3.39 0.12 0.00 1.25 0.00 0.00 42.46 40.33 1xhg s ILE 262 CO 0.52 -0.18 1.07 -2.65 0.24 0.00 0.00 174.94 173.94 1xhg n PRO 263 N -1.04 -0.29 -3.14 0.37 -0.02 -1.26 -4.66 135.00 124.96 1xhg n PRO 263 Ca 0.10 -0.01 -0.33 0.00 -2.02 0.00 0.00 63.50 61.24 1xhg n PRO 263 Cb 0.51 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 1xhg n PRO 263 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1xhg s GLY 264 N -2.43 2.36 0.53 -1.23 0.00 -1.26 -4.84 107.32 100.44 1xhg s GLY 264 Ca 0.67 0.05 0.34 0.00 0.00 0.00 0.00 44.72 45.78 1xhg s GLY 264 CO 0.57 0.26 2.03 -1.61 0.00 0.00 0.00 173.10 174.36 1xhg h GLN 265 N 2.37 0.00 0.00 2.90 4.15 -1.98 -1.69 115.11 120.87 1xhg h GLN 265 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1xhg h GLN 265 Cb 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1xhg h GLN 265 CO 0.65 0.00 -0.91 1.19 -1.93 0.00 0.00 178.83 177.83 1xhg n PHE 266 N -2.71 0.00 0.76 3.99 3.01 -1.26 -4.68 117.46 116.56 1xhg n PHE 266 Ca -0.02 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.55 1xhg n PHE 266 Cb 0.09 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.54 1xhg n PHE 266 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1xhg n THR 267 N -1.68 0.05 -2.45 4.37 -2.24 -1.13 -4.57 114.28 106.64 1xhg n THR 267 Ca 0.00 -0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 1xhg n THR 267 Cb 0.28 0.54 0.02 0.00 -2.10 0.00 0.00 70.33 69.06 1xhg n THR 267 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xhg n LYS 268 N -1.72 -0.80 -3.15 -0.78 5.02 -0.65 -4.84 118.16 111.24 1xhg n LYS 268 Ca 0.03 0.74 0.06 0.00 -2.02 0.00 0.00 58.31 57.11 1xhg n LYS 268 Cb 0.39 -1.01 -0.02 0.00 -0.02 0.00 0.00 35.03 34.37 1xhg n LYS 268 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1xhg s GLU 269 N -1.19 0.06 0.47 1.97 2.12 -1.26 -4.89 118.70 115.98 1xhg s GLU 269 Ca 0.15 0.11 -0.23 0.00 0.36 0.00 0.00 54.97 55.36 1xhg s GLU 269 Cb -0.02 0.06 -0.09 0.00 0.26 0.00 0.00 34.13 34.35 1xhg s GLU 269 CO 0.34 -0.07 1.11 1.63 -0.54 0.00 0.00 175.26 177.73 1xhg n LYS 270 N 5.48 1.46 0.00 4.30 5.02 -1.26 -2.69 118.16 130.47 1xhg n LYS 270 Ca -0.09 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1xhg n LYS 270 Cb 0.55 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1xhg n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xhg n GLY 271 N 1.05 3.23 3.23 0.72 0.00 -1.05 -4.88 105.19 107.49 1xhg n GLY 271 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 1xhg n GLY 271 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xhg s ILE 272 N -2.46 1.29 -0.10 -0.61 1.01 -1.09 -1.63 121.20 117.60 1xhg s ILE 272 Ca 0.00 -1.68 -0.05 0.00 0.00 0.00 0.00 60.65 58.92 1xhg s ILE 272 Cb 0.00 -1.49 0.04 0.00 0.01 0.00 0.00 42.46 41.03 1xhg s ILE 272 CO 0.00 -0.41 0.23 -0.76 0.00 0.00 0.00 174.94 174.00 1xhg s LEU 273 N -2.40 0.51 0.56 2.97 1.43 -0.84 -4.38 118.68 116.52 1xhg s LEU 273 Ca 0.08 0.50 -0.19 0.00 -1.03 0.00 0.00 54.13 53.48 1xhg s LEU 273 Cb -0.05 0.70 -0.05 0.00 0.03 0.00 0.00 46.19 46.82 1xhg s LEU 273 CO 0.03 -0.16 1.13 0.00 0.23 0.00 0.00 176.35 177.58 1xhg s ALA 274 N 1.15 2.67 0.19 4.21 0.00 -1.26 -1.35 121.76 127.36 1xhg s ALA 274 Ca -0.08 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 52.53 1xhg s ALA 274 Cb -0.10 -3.36 0.18 0.00 0.00 0.00 0.00 23.12 19.84 1xhg s ALA 274 CO -0.07 -0.84 1.66 -0.92 0.00 0.00 0.00 175.76 175.58 1xhg h TYR 275 N 1.06 -0.21 0.00 0.00 3.20 -0.75 0.32 116.97 120.59 1xhg h TYR 275 Ca -0.50 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1xhg h TYR 275 Cb 1.26 0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.70 1xhg h TYR 275 CO 0.51 -0.20 0.00 0.10 -1.64 0.00 0.00 178.16 176.94 1xhg h TYR 276 N 0.03 0.00 0.14 -3.82 -0.00 -1.81 0.13 116.97 111.64 1xhg h TYR 276 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 58.73 58.64 1xhg h TYR 276 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.11 1xhg h TYR 276 CO -0.40 0.00 -1.77 0.93 -0.00 0.00 0.00 178.16 176.92 1xhg h GLU 277 N 0.00 0.29 -0.67 0.10 5.08 -0.79 -3.30 114.58 115.29 1xhg h GLU 277 Ca 0.00 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 1xhg h GLU 277 Cb 0.08 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1xhg h GLU 277 CO 0.00 1.17 0.37 0.82 -1.00 0.00 0.00 179.01 180.37 1xhg h ILE 278 N 0.08 1.20 -0.83 3.13 2.04 0.77 0.51 117.51 124.40 1xhg h ILE 278 Ca -0.34 -0.50 0.06 0.00 1.00 0.00 0.00 64.86 65.08 1xhg h ILE 278 Cb 2.06 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 1xhg h ILE 278 CO 0.14 0.22 0.55 0.00 0.00 0.00 0.00 178.15 179.06 1xhg h ASP 280 N 0.93 0.61 -0.77 0.00 3.58 -1.10 -3.25 116.42 116.43 1xhg h ASP 280 Ca 0.36 -0.52 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 1xhg h ASP 280 Cb 0.20 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 1xhg h ASP 280 CO -0.13 1.33 0.46 0.15 -2.88 0.00 0.00 179.24 178.17 1xhg h PHE 281 N 0.24 1.02 0.00 0.28 3.57 0.52 -2.99 116.94 119.59 1xhg h PHE 281 Ca -0.10 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1xhg h PHE 281 Cb 1.67 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 40.08 1xhg h PHE 281 CO 0.07 0.69 0.06 -0.07 -2.23 0.00 0.00 178.31 176.83 1xhg h LEU 282 N 1.07 0.00 -8.73 0.59 4.07 -0.54 -3.38 115.31 108.39 1xhg h LEU 282 Ca 0.28 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.63 1xhg h LEU 282 Cb -0.03 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 41.60 1xhg h LEU 282 CO -0.05 0.00 0.46 0.00 -1.08 0.00 0.00 178.44 177.76 1xhg s GLN 283 N -4.07 3.63 0.00 1.13 -2.07 -1.13 -2.48 119.66 114.66 1xhg s GLN 283 Ca -0.04 0.21 0.00 0.00 -1.82 0.00 0.00 55.36 53.71 1xhg s GLN 283 Cb 0.12 -3.87 0.00 0.00 -1.09 0.00 0.00 33.01 28.17 1xhg s GLN 283 CO 0.36 -1.02 0.00 0.41 -1.32 0.00 0.00 175.29 173.72 1xhg n GLY 284 N 4.72 0.99 3.81 2.60 0.00 -1.26 -5.09 105.19 110.96 1xhg n GLY 284 Ca 0.04 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1xhg n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhg s ALA 285 N -2.00 3.59 -0.32 4.61 0.00 -1.03 -4.85 121.76 121.76 1xhg s ALA 285 Ca 0.00 -1.48 -0.11 0.00 0.00 0.00 0.00 51.96 50.37 1xhg s ALA 285 Cb 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 1xhg s ALA 285 CO 0.00 0.21 0.18 0.99 0.00 0.00 0.00 175.76 177.15 1xhg s THR 286 N -2.18 4.86 -0.14 0.00 2.01 -0.08 -4.91 115.64 115.21 1xhg s THR 286 Ca 0.34 -0.31 -0.16 0.00 0.31 0.00 0.00 61.69 61.87 1xhg s THR 286 Cb -0.07 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1xhg s THR 286 CO 0.25 0.06 0.38 0.42 -0.69 0.00 0.00 174.62 175.04 1xhg s THR 287 N 1.66 5.25 0.35 -0.82 -4.23 -1.26 -2.30 115.64 114.29 1xhg s THR 287 Ca 0.05 0.74 0.04 0.00 -1.18 0.00 0.00 61.69 61.34 1xhg s THR 287 Cb -0.17 -3.72 -0.06 0.00 1.34 0.00 0.00 72.50 69.89 1xhg s THR 287 CO 0.08 0.35 0.06 -1.00 -0.54 0.00 0.00 174.62 173.57 1xhg s HIS 288 N 0.57 2.00 -0.21 3.99 3.76 -0.47 -5.01 115.29 119.93 1xhg s HIS 288 Ca 0.21 -0.96 -0.05 0.00 -0.15 0.00 0.00 55.06 54.10 1xhg s HIS 288 Cb -0.14 -1.34 0.10 0.00 1.11 0.00 0.00 32.58 32.31 1xhg s HIS 288 CO 0.07 0.03 0.39 0.50 -0.85 0.00 0.00 174.74 174.89 1xhg s ARG 289 N -3.85 0.32 -0.62 1.40 3.52 -1.26 -0.96 118.95 117.49 1xhg s ARG 289 Ca 0.33 0.86 -0.26 0.00 -0.13 0.00 0.00 55.73 56.54 1xhg s ARG 289 Cb 0.08 0.06 -0.06 0.00 -1.56 0.00 0.00 34.95 33.47 1xhg s ARG 289 CO 0.15 -0.37 2.18 -0.06 -0.81 0.00 0.00 175.30 176.39 1xhg s PHE 290 N 2.58 1.35 0.29 5.12 0.08 -0.53 -4.76 117.98 122.11 1xhg s PHE 290 Ca 0.03 1.28 -0.00 0.00 0.12 0.00 0.00 56.93 58.36 1xhg s PHE 290 Cb -0.13 -3.77 0.43 0.00 -0.57 0.00 0.00 43.02 38.98 1xhg s PHE 290 CO -0.13 -2.22 1.82 -0.09 -0.10 0.00 0.00 175.22 174.50 1xhg h ARG 291 N 16.14 0.76 -0.42 0.44 2.43 -1.96 0.21 114.38 131.97 1xhg h ARG 291 Ca -0.17 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 58.82 1xhg h ARG 291 Cb 1.16 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 1xhg h ARG 291 CO 1.16 0.72 0.22 0.22 -1.51 0.00 0.00 179.97 180.77 1xhg h ASP 292 N 0.72 0.54 0.02 -3.80 3.58 -1.97 -3.20 116.42 112.31 1xhg h ASP 292 Ca 0.15 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1xhg h ASP 292 Cb 0.33 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1xhg h ASP 292 CO 0.01 0.49 -0.63 0.00 -2.88 0.00 0.00 179.24 176.23 1xhg n GLN 293 N -4.70 0.78 -2.80 0.28 6.02 -1.09 -4.32 117.38 111.55 1xhg n GLN 293 Ca 0.01 -0.63 -0.10 0.00 -0.01 0.00 0.00 57.00 56.27 1xhg n GLN 293 Cb 0.10 -1.49 0.03 0.00 1.02 0.00 0.00 30.24 29.89 1xhg n GLN 293 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1xhg n GLN 294 N -0.56 -2.87 -3.84 -1.09 1.13 0.71 -2.47 117.38 108.38 1xhg n GLN 294 Ca 0.08 0.38 -0.12 0.00 -1.94 0.00 0.00 57.00 55.40 1xhg n GLN 294 Cb 0.41 -4.08 -0.12 0.00 0.11 0.00 0.00 30.24 26.57 1xhg n GLN 294 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1xhg s VAL 295 N -2.99 0.02 0.66 5.09 -7.23 -1.04 -4.60 120.40 110.32 1xhg s VAL 295 Ca 0.20 -0.19 -0.04 0.00 -1.81 0.00 0.00 61.98 60.15 1xhg s VAL 295 Cb -0.09 -0.26 0.06 0.00 0.56 0.00 0.00 36.38 36.66 1xhg s VAL 295 CO 0.25 -0.10 0.94 -2.16 -0.31 0.00 0.00 175.10 173.72 1xhg s PRO 296 N -0.30 2.22 -0.27 4.82 0.04 -1.25 -1.45 135.00 138.81 1xhg s PRO 296 Ca -0.04 -0.52 -0.21 0.00 0.04 0.00 0.00 61.00 60.27 1xhg s PRO 296 Cb -0.03 -2.28 0.07 0.00 0.04 0.00 0.00 34.50 32.30 1xhg s PRO 296 CO 0.00 -1.12 0.69 1.52 0.04 0.00 0.00 177.00 178.14 1xhg s TYR 297 N -3.09 -0.87 0.38 0.56 1.13 -0.13 -2.75 117.35 112.57 1xhg s TYR 297 Ca 0.60 1.96 0.08 0.00 -1.41 0.00 0.00 57.07 58.29 1xhg s TYR 297 Cb -0.10 0.39 -0.03 0.00 -1.10 0.00 0.00 41.96 41.12 1xhg s TYR 297 CO 0.43 -0.42 0.27 0.00 -2.51 0.00 0.00 175.55 173.31 1xhg s ALA 298 N 0.83 3.79 -0.11 9.51 0.00 0.79 -1.37 121.76 135.20 1xhg s ALA 298 Ca -0.04 -1.85 -0.09 0.00 0.00 0.00 0.00 51.96 49.99 1xhg s ALA 298 Cb -0.05 -0.89 0.03 0.00 0.00 0.00 0.00 23.12 22.21 1xhg s ALA 298 CO -0.07 -0.09 0.29 0.99 0.00 0.00 0.00 175.76 176.88 1xhg s THR 299 N -2.44 -0.01 -0.22 0.00 2.01 -0.97 -1.30 115.64 112.71 1xhg s THR 299 Ca 0.43 0.03 -0.08 0.00 0.31 0.00 0.00 61.69 62.37 1xhg s THR 299 Cb -0.03 -0.41 0.10 0.00 0.01 0.00 0.00 72.50 72.17 1xhg s THR 299 CO 0.25 0.01 0.47 -0.75 -0.69 0.00 0.00 174.62 173.91 1xhg s LYS 300 N 0.38 0.39 6.67 4.92 2.20 -0.53 -0.90 119.74 132.88 1xhg s LYS 300 Ca -0.02 1.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 1xhg s LYS 300 Cb -0.04 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.69 1xhg s LYS 300 CO -0.02 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.15 1xhg n GLY 301 N 5.28 3.65 2.08 5.54 0.00 -1.26 -0.40 105.19 120.07 1xhg n GLY 301 Ca -0.11 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1xhg n GLY 301 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xhg n ASN 302 N 5.53 5.86 -4.26 1.61 6.94 -1.26 -4.93 115.26 124.75 1xhg n ASN 302 Ca 0.00 -3.76 -0.33 0.00 -0.02 0.00 0.00 54.58 50.47 1xhg n ASN 302 Cb 0.00 -0.73 -0.16 0.00 -2.36 0.00 0.00 39.78 36.53 1xhg n ASN 302 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1xhg s GLN 303 N -3.64 3.17 -0.15 -3.83 -1.52 0.46 -0.81 119.66 113.33 1xhg s GLN 303 Ca 0.58 -0.79 0.02 0.00 -1.95 0.00 0.00 55.36 53.21 1xhg s GLN 303 Cb 0.46 -2.52 0.02 0.00 -0.22 0.00 0.00 33.01 30.75 1xhg s GLN 303 CO 0.02 0.08 -0.20 -0.46 -0.25 0.00 0.00 175.29 174.48 1xhg s TRP 304 N 0.62 2.59 -0.11 0.91 -0.00 -0.44 -1.45 118.94 121.07 1xhg s TRP 304 Ca -0.10 -1.41 0.04 0.00 -0.00 0.00 0.00 56.10 54.63 1xhg s TRP 304 Cb -0.16 -1.79 -0.00 0.00 -0.00 0.00 0.00 33.47 31.51 1xhg s TRP 304 CO 0.03 -0.68 -0.23 0.08 -0.00 0.00 0.00 176.95 176.14 1xhg s VAL 305 N 1.09 2.14 -0.24 5.86 1.01 -0.42 -1.13 120.40 128.71 1xhg s VAL 305 Ca -0.01 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 1xhg s VAL 305 Cb -0.14 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1xhg s VAL 305 CO -0.07 0.56 0.08 0.00 0.00 0.00 0.00 175.10 175.67 1xhg s ALA 306 N 0.38 3.26 0.34 5.51 0.00 0.74 -0.15 121.76 131.84 1xhg s ALA 306 Ca -0.17 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 1xhg s ALA 306 Cb -0.18 -2.10 0.01 0.00 0.00 0.00 0.00 23.12 20.86 1xhg s ALA 306 CO 0.08 -0.36 0.55 1.52 0.00 0.00 0.00 175.76 177.55 1xhg s TYR 307 N 1.38 0.76 -0.10 0.00 1.13 -1.11 -1.34 117.35 118.07 1xhg s TYR 307 Ca 0.05 -1.11 0.03 0.00 -1.41 0.00 0.00 57.07 54.63 1xhg s TYR 307 Cb -0.15 0.16 -0.01 0.00 -1.10 0.00 0.00 41.96 40.87 1xhg s TYR 307 CO 0.04 -1.22 -0.19 -0.51 -2.51 0.00 0.00 175.55 171.16 1xhg s ASP 308 N -3.17 3.54 0.39 -0.18 1.11 -1.26 -3.76 116.67 113.33 1xhg s ASP 308 Ca 0.26 -0.43 0.08 0.00 0.18 0.00 0.00 52.55 52.64 1xhg s ASP 308 Cb -0.02 -1.35 -0.05 0.00 1.07 0.00 0.00 42.92 42.58 1xhg s ASP 308 CO 0.17 0.19 0.17 1.51 1.18 0.00 0.00 175.17 178.40 1xhg s ASP 309 N 0.17 4.50 0.43 0.27 -4.77 -1.26 -4.93 116.67 111.08 1xhg s ASP 309 Ca -0.11 -0.99 0.29 0.00 -3.30 0.00 0.00 52.55 48.44 1xhg s ASP 309 Cb -0.16 -0.54 1.38 0.00 -1.09 0.00 0.00 42.92 42.52 1xhg s ASP 309 CO 0.06 -0.48 1.64 1.56 0.70 0.00 0.00 175.17 178.65 1xhg h GLN 310 N 1.45 0.12 0.27 2.11 4.20 -1.94 0.41 115.11 121.73 1xhg h GLN 310 Ca -0.43 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.26 1xhg h GLN 310 Cb 1.25 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1xhg h GLN 310 CO 0.67 0.08 -0.13 1.49 -0.67 0.00 0.00 178.83 180.27 1xhg h GLU 311 N 0.12 -0.35 -0.78 1.46 4.57 -1.98 -0.65 114.58 116.97 1xhg h GLU 311 Ca 0.79 0.02 0.18 0.00 -1.18 0.00 0.00 59.36 59.17 1xhg h GLU 311 Cb 2.43 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 31.05 1xhg h GLU 311 CO -0.40 -0.23 0.53 0.66 -1.18 0.00 0.00 179.01 178.39 1xhg h SER 312 N -0.48 0.28 -0.18 1.04 4.64 -1.39 0.13 113.55 117.58 1xhg h SER 312 Ca -0.04 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.11 1xhg h SER 312 Cb 0.28 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1xhg h SER 312 CO 0.06 0.13 -0.64 0.58 -0.87 0.00 0.00 176.83 176.09 1xhg h VAL 313 N 0.29 1.30 0.00 0.95 2.07 -0.96 -1.61 116.25 118.28 1xhg h VAL 313 Ca 0.39 -1.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.00 1xhg h VAL 313 Cb 1.09 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1xhg h VAL 313 CO -0.10 0.59 -0.26 0.11 0.02 0.00 0.00 177.57 177.92 1xhg h LYS 314 N 0.48 0.00 -0.13 1.57 1.57 0.64 -1.55 116.57 119.15 1xhg h LYS 314 Ca -0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1xhg h LYS 314 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 1xhg h LYS 314 CO 0.13 0.26 -0.04 -0.97 -0.57 0.00 0.00 179.45 178.27 1xhg h ASN 315 N 0.00 0.26 -0.30 0.86 -0.00 -0.40 -1.93 115.58 114.07 1xhg h ASN 315 Ca -0.00 -0.37 -0.08 0.00 -0.00 0.00 0.00 56.30 55.84 1xhg h ASN 315 Cb 0.62 -0.07 -0.02 0.00 -0.00 0.00 0.00 38.32 38.85 1xhg h ASN 315 CO 0.03 0.58 -0.09 0.11 -0.00 0.00 0.00 177.43 178.06 1xhg h LYS 316 N -0.05 0.70 -0.87 6.67 1.57 -1.08 -2.38 116.57 121.13 1xhg h LYS 316 Ca 0.03 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1xhg h LYS 316 Cb 0.46 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 1xhg h LYS 316 CO 0.01 0.78 0.58 0.00 -0.57 0.00 0.00 179.45 180.25 1xhg h ALA 317 N 1.26 1.40 -0.36 3.86 0.00 -1.02 0.63 119.26 125.02 1xhg h ALA 317 Ca 0.12 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1xhg h ALA 317 Cb 0.53 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xhg h ALA 317 CO 0.03 0.55 -0.35 0.00 0.00 0.00 0.00 179.25 179.48 1xhg h ARG 318 N 1.16 0.84 0.30 0.00 3.08 -1.04 -3.20 114.38 115.50 1xhg h ARG 318 Ca 0.33 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1xhg h ARG 318 Cb -0.10 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1xhg h ARG 318 CO -0.08 1.05 -0.52 -0.92 -1.07 0.00 0.00 179.97 178.44 1xhg h TYR 319 N 0.69 -1.47 -0.11 3.04 3.20 -0.39 0.55 116.97 122.48 1xhg h TYR 319 Ca 0.07 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1xhg h TYR 319 Cb 0.91 0.60 -0.00 0.00 1.54 0.00 0.00 36.73 39.78 1xhg h TYR 319 CO 0.05 -0.63 0.30 1.37 -1.64 0.00 0.00 178.16 177.61 1xhg h LEU 320 N -0.87 0.00 0.14 2.82 -0.00 -1.41 0.11 115.31 116.10 1xhg h LEU 320 Ca -0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.55 1xhg h LEU 320 Cb 0.81 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.50 1xhg h LEU 320 CO -0.19 0.00 -1.25 0.11 -0.00 0.00 0.00 178.44 177.12 1xhg h LYS 321 N 0.00 0.60 0.00 0.17 1.57 -0.95 -0.58 116.57 117.39 1xhg h LYS 321 Ca 0.05 -0.83 0.00 0.00 -1.87 0.00 0.00 60.65 58.00 1xhg h LYS 321 Cb 0.65 0.28 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1xhg h LYS 321 CO -0.00 1.38 0.00 -0.91 -0.57 0.00 0.00 179.45 179.35 1xhg h ASN 322 N 0.22 0.00 -0.35 0.86 2.35 0.59 -1.89 115.58 117.36 1xhg h ASN 322 Ca -0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1xhg h ASN 322 Cb 1.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.30 1xhg h ASN 322 CO 0.24 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.56 1xhg n ARG 323 N -3.05 2.31 -3.77 0.81 1.74 -0.84 -4.99 116.66 108.87 1xhg n ARG 323 Ca 0.02 -1.98 -0.24 0.00 -0.77 0.00 0.00 57.85 54.88 1xhg n ARG 323 Cb 0.39 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.38 1xhg n ARG 323 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1xhg n GLN 324 N 1.18 -5.11 -2.10 5.56 6.02 -0.71 -4.97 117.38 117.25 1xhg n GLN 324 Ca 0.19 0.61 -0.27 0.00 -0.01 0.00 0.00 57.00 57.51 1xhg n GLN 324 Cb 0.53 -5.26 0.07 0.00 1.02 0.00 0.00 30.24 26.59 1xhg n GLN 324 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xhg s LEU 325 N -6.88 2.80 0.29 1.08 1.43 -0.29 -4.39 118.68 112.72 1xhg s LEU 325 Ca 0.21 0.67 0.04 0.00 -1.03 0.00 0.00 54.13 54.03 1xhg s LEU 325 Cb -0.11 -3.32 0.45 0.00 0.03 0.00 0.00 46.19 43.24 1xhg s LEU 325 CO 0.82 -1.58 1.73 0.00 0.23 0.00 0.00 176.35 177.55 1xhg h ALA 326 N -0.68 1.13 0.00 4.21 0.00 -0.08 -3.47 119.26 120.37 1xhg h ALA 326 Ca -0.45 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1xhg h ALA 326 Cb 1.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1xhg h ALA 326 CO 0.62 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.84 1xhg n GLY 327 N -0.35 -0.51 3.61 0.00 0.00 -1.19 -2.58 105.19 104.18 1xhg n GLY 327 Ca -0.01 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 1xhg n GLY 327 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhg s ALA 328 N -1.00 3.08 -0.03 4.61 0.00 -0.33 -1.73 121.76 126.36 1xhg s ALA 328 Ca 0.00 -1.70 0.01 0.00 0.00 0.00 0.00 51.96 50.27 1xhg s ALA 328 Cb 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1xhg s ALA 328 CO 0.00 0.27 -0.03 1.41 0.00 0.00 0.00 175.76 177.41 1xhg s MET 329 N -3.64 0.54 -0.26 0.00 0.00 0.66 -1.00 119.30 115.61 1xhg s MET 329 Ca 0.31 -0.05 0.02 0.00 0.00 0.00 0.00 55.69 55.98 1xhg s MET 329 Cb -0.06 -0.61 0.05 0.00 0.00 0.00 0.00 34.83 34.21 1xhg s MET 329 CO 0.19 -0.07 -0.10 0.08 0.00 0.00 0.00 175.02 175.12 1xhg s VAL 330 N 0.77 2.32 -0.29 10.11 1.01 -0.38 0.31 120.40 134.24 1xhg s VAL 330 Ca -0.09 -1.51 -0.29 0.00 0.00 0.00 0.00 61.98 60.09 1xhg s VAL 330 Cb -0.12 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1xhg s VAL 330 CO -0.01 0.02 1.16 0.86 0.00 0.00 0.00 175.10 177.13 1xhg s TRP 331 N 1.15 3.00 0.00 5.22 -0.11 -0.88 -2.84 118.94 124.48 1xhg s TRP 331 Ca -0.07 1.11 0.00 0.00 1.22 0.00 0.00 56.10 58.36 1xhg s TRP 331 Cb -0.19 -3.70 0.00 0.00 -1.50 0.00 0.00 33.47 28.08 1xhg s TRP 331 CO -0.05 -1.11 0.00 0.00 -4.62 0.00 0.00 176.95 171.17 1xhg n ALA 332 N 7.00 -2.64 0.10 5.86 0.00 -1.24 -3.55 120.51 126.04 1xhg n ALA 332 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.57 1xhg n ALA 332 Cb 0.47 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.21 1xhg n ALA 332 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1xhg h LEU 333 N 0.00 0.25 0.00 0.00 3.38 -1.25 -2.04 115.31 115.65 1xhg h LEU 333 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1xhg h LEU 333 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1xhg h LEU 333 CO 0.00 0.53 0.00 -0.90 0.09 0.00 0.00 178.44 178.16 1xhg n ASP 334 N -4.14 0.00 -0.22 -0.43 5.68 -1.26 -2.69 116.55 113.49 1xhg n ASP 334 Ca -0.01 0.27 0.11 0.00 -0.50 0.00 0.00 54.79 54.66 1xhg n ASP 334 Cb 0.38 -0.42 0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1xhg n ASP 334 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1xhg n LEU 335 N -1.42 1.35 -4.94 -2.12 4.77 -0.77 -4.88 117.00 108.99 1xhg n LEU 335 Ca 0.09 -0.52 -0.28 0.00 -0.03 0.00 0.00 56.01 55.27 1xhg n LEU 335 Cb 0.27 -0.04 0.15 0.00 -2.33 0.00 0.00 43.42 41.47 1xhg n LEU 335 CO 0.23 0.28 0.77 -0.62 -1.33 0.00 0.00 177.39 176.72 1xhg s ASP 336 N -2.75 3.71 -1.34 -1.43 -1.08 -1.09 -0.96 116.67 111.72 1xhg s ASP 336 Ca 0.14 0.20 -0.15 0.00 -0.52 0.00 0.00 52.55 52.23 1xhg s ASP 336 Cb 0.17 -0.43 0.09 0.00 -1.46 0.00 0.00 42.92 41.29 1xhg s ASP 336 CO 0.70 -2.34 1.90 -0.67 0.52 0.00 0.00 175.17 175.28 1xhg n ASP 337 N -3.43 4.62 0.27 -0.34 2.03 -1.26 -4.58 116.55 113.86 1xhg n ASP 337 Ca 0.14 -2.93 0.15 0.00 0.52 0.00 0.00 54.79 52.67 1xhg n ASP 337 Cb 0.60 -1.65 0.73 0.00 -0.72 0.00 0.00 41.12 40.08 1xhg n ASP 337 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1xhg h PHE 338 N 6.68 0.00 0.00 -0.67 -0.00 -1.90 0.11 116.94 121.16 1xhg h PHE 338 Ca 0.47 0.00 -0.13 0.00 -0.00 0.00 0.00 57.97 58.31 1xhg h PHE 338 Cb 0.75 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.68 1xhg h PHE 338 CO 1.37 0.09 -1.07 0.00 -0.00 0.00 0.00 178.31 178.70 1xhg h ARG 339 N 0.00 0.00 -0.46 6.09 3.08 -1.93 -3.40 114.38 117.76 1xhg h ARG 339 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 1xhg h ARG 339 Cb 0.42 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.40 1xhg h ARG 339 CO 0.01 0.31 -0.18 0.41 -1.07 0.00 0.00 179.97 179.46 1xhg n GLY 340 N 1.31 1.10 0.18 0.04 0.00 -0.36 -4.76 105.19 102.71 1xhg n GLY 340 Ca -0.05 -0.60 0.03 0.00 0.00 0.00 0.00 46.02 45.41 1xhg n GLY 340 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xhg n THR 341 N -2.74 0.00 -0.07 2.61 -2.24 -1.26 -3.85 114.28 106.74 1xhg n THR 341 Ca -0.10 -0.44 -0.21 0.00 -2.27 0.00 0.00 64.05 61.04 1xhg n THR 341 Cb 0.32 1.09 -0.13 0.00 -2.10 0.00 0.00 70.33 69.51 1xhg n THR 341 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1xhg n PHE 342 N -0.22 0.70 -3.10 4.78 3.01 -1.26 -4.85 117.46 116.52 1xhg n PHE 342 Ca 0.03 0.17 -0.43 0.00 1.01 0.00 0.00 57.45 58.23 1xhg n PHE 342 Cb 0.15 -1.09 -0.06 0.00 -0.01 0.00 0.00 39.48 38.47 1xhg n PHE 342 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xhg n GLY 344 N 5.13 0.00 0.66 0.00 0.00 -1.26 -4.52 105.19 105.19 1xhg n GLY 344 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1xhg n GLY 344 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhg n GLN 345 N 0.00 0.00 -2.88 1.61 10.64 -1.26 -4.68 117.38 120.82 1xhg n GLN 345 Ca 0.00 0.00 -0.44 0.00 -1.83 0.00 0.00 57.00 54.73 1xhg n GLN 345 Cb 0.00 -0.22 -0.00 0.00 -0.86 0.00 0.00 30.24 29.16 1xhg n GLN 345 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1xhg s ASN 346 N -0.14 6.98 -0.00 2.61 -0.87 -1.26 -4.84 114.94 117.42 1xhg s ASN 346 Ca 0.14 -2.78 0.00 0.00 -1.57 0.00 0.00 52.86 48.65 1xhg s ASN 346 Cb -0.20 -2.43 0.00 0.00 -0.02 0.00 0.00 41.25 38.60 1xhg s ASN 346 CO 0.11 -0.86 -0.01 -0.22 -2.57 0.00 0.00 177.10 173.54 1xhg s LEU 347 N 2.19 1.95 -0.06 0.60 0.20 -1.25 -5.11 118.68 117.20 1xhg s LEU 347 Ca 0.44 -0.02 -0.12 0.00 0.69 0.00 0.00 54.13 55.12 1xhg s LEU 347 Cb -0.02 -0.07 -0.05 0.00 -0.43 0.00 0.00 46.19 45.62 1xhg s LEU 347 CO 0.00 0.01 0.29 0.28 -0.29 0.00 0.00 176.35 176.64 1xhg s THR 348 N 0.03 5.24 -1.23 3.68 -1.32 -1.26 -4.11 115.64 116.67 1xhg s THR 348 Ca -0.00 0.57 -0.02 0.00 -1.21 0.00 0.00 61.69 61.03 1xhg s THR 348 Cb -0.01 -3.59 -0.01 0.00 -1.51 0.00 0.00 72.50 67.39 1xhg s THR 348 CO -0.00 0.57 0.84 0.49 -2.21 0.00 0.00 174.62 174.31 1xhg n PHE 349 N 2.10 -2.07 0.10 9.09 3.72 0.25 -4.82 117.46 125.84 1xhg n PHE 349 Ca -0.16 0.86 -0.12 0.00 -0.05 0.00 0.00 57.45 57.98 1xhg n PHE 349 Cb 0.53 -4.59 -0.05 0.00 -0.94 0.00 0.00 39.48 34.43 1xhg n PHE 349 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1xhg h PRO 350 N -1.81 -0.42 0.44 -1.08 0.13 -1.77 0.11 132.00 127.61 1xhg h PRO 350 Ca -0.61 0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.53 1xhg h PRO 350 Cb 1.35 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.58 1xhg h PRO 350 CO 0.52 -0.28 -0.21 -0.07 -0.23 0.00 0.00 178.00 177.73 1xhg h LEU 351 N -0.43 -0.50 -1.65 1.56 4.07 -1.95 0.05 115.31 116.45 1xhg h LEU 351 Ca 0.03 0.01 0.03 0.00 0.08 0.00 0.00 57.88 58.03 1xhg h LEU 351 Cb 0.46 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.31 1xhg h LEU 351 CO -0.15 -0.34 0.28 0.74 -1.08 0.00 0.00 178.44 177.89 1xhg h THR 352 N -0.62 1.04 -0.49 0.22 2.02 -1.92 0.48 112.91 113.64 1xhg h THR 352 Ca -0.06 -0.16 -0.12 0.00 0.77 0.00 0.00 66.41 66.85 1xhg h THR 352 Cb 0.47 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1xhg h THR 352 CO 0.10 0.08 -0.14 0.28 0.37 0.00 0.00 175.52 176.21 1xhg h SER 353 N 0.46 0.98 -0.83 4.18 0.02 -0.19 -2.15 113.55 116.02 1xhg h SER 353 Ca 0.17 -0.37 0.12 0.00 -0.84 0.00 0.00 61.79 60.86 1xhg h SER 353 Cb 0.10 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 62.29 1xhg h SER 353 CO -0.04 1.13 0.45 0.00 -1.14 0.00 0.00 176.83 177.23 1xhg h ALA 354 N 0.89 1.21 -0.15 3.77 0.00 0.11 0.53 119.26 125.61 1xhg h ALA 354 Ca 0.12 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1xhg h ALA 354 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1xhg h ALA 354 CO 0.05 0.01 0.02 0.28 0.00 0.00 0.00 179.25 179.62 1xhg h VAL 355 N 0.71 1.23 -0.78 0.00 2.07 -1.28 -2.84 116.25 115.35 1xhg h VAL 355 Ca 0.42 -0.75 0.06 0.00 0.82 0.00 0.00 66.70 67.25 1xhg h VAL 355 Cb 0.48 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1xhg h VAL 355 CO -0.29 0.22 0.51 0.50 0.02 0.00 0.00 177.57 178.53 1xhg h LYS 356 N 0.02 0.84 -0.31 1.57 3.64 -0.34 -0.01 116.57 121.98 1xhg h LYS 356 Ca 0.04 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 1xhg h LYS 356 Cb 0.32 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1xhg h LYS 356 CO 0.00 0.56 -0.35 -0.44 -2.27 0.00 0.00 179.45 176.95 1xhg h ASP 357 N 0.87 0.74 0.13 4.20 3.32 -0.87 0.26 116.42 125.07 1xhg h ASP 357 Ca 0.33 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1xhg h ASP 357 Cb 0.19 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1xhg h ASP 357 CO -0.11 1.02 -0.06 0.58 -1.72 0.00 0.00 179.24 178.95 1xhg h VAL 358 N 0.59 1.02 0.00 -1.35 2.07 -0.97 -2.64 116.25 114.97 1xhg h VAL 358 Ca 0.06 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1xhg h VAL 358 Cb 0.88 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1xhg h VAL 358 CO 0.08 0.17 -0.07 -0.07 0.02 0.00 0.00 177.57 177.70 1xhg h LEU 359 N -0.54 0.00 -1.74 2.57 4.07 -0.88 -0.73 115.31 118.06 1xhg h LEU 359 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1xhg h LEU 359 Cb 0.42 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1xhg h LEU 359 CO 0.03 0.07 0.00 0.00 -1.08 0.00 0.00 178.44 177.46 1xhg h ALA 360 N 1.93 1.00 -3.00 1.53 0.00 -0.12 -3.42 119.26 117.18 1xhg h ALA 360 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xhg h ALA 360 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xhg h ALA 360 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.80 1xhg n ARG 361 N -3.04 2.62 0.00 0.00 1.74 -0.28 -5.07 116.66 112.63 1xhg n ARG 361 Ca -0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 1xhg n ARG 361 Cb 0.25 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.73 1xhg n ARG 361 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11