#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xug s VAL 17 N 0.00 4.57 -1.01 1.39 1.01 0.11 -4.04 120.40 122.43 1xug s VAL 17 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1xug s VAL 17 Cb 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1xug s VAL 17 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1xug n GLY 18 N 3.39 0.70 0.00 4.51 0.00 -1.24 -1.47 105.19 111.07 1xug n GLY 18 Ca -0.17 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1xug n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xug n GLY 19 N -1.45 1.89 3.31 -0.02 0.00 -1.26 -4.88 105.19 102.77 1xug n GLY 19 Ca -0.11 -2.06 -0.16 0.00 0.00 0.00 0.00 46.02 43.69 1xug n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xug s TYR 20 N 1.73 1.50 -0.15 1.61 1.13 0.61 -4.92 117.35 118.87 1xug s TYR 20 Ca 0.00 -1.15 -0.29 0.00 -1.41 0.00 0.00 57.07 54.22 1xug s TYR 20 Cb 0.00 -0.87 -0.01 0.00 -1.10 0.00 0.00 41.96 39.97 1xug s TYR 20 CO 0.00 -0.30 1.19 0.99 -2.51 0.00 0.00 175.55 174.91 1xug s THR 21 N -3.72 4.39 0.15 -3.49 2.01 -1.26 -0.17 115.64 113.54 1xug s THR 21 Ca 0.35 1.68 -0.16 0.00 0.31 0.00 0.00 61.69 63.87 1xug s THR 21 Cb 0.08 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.51 1xug s THR 21 CO 0.12 -0.11 1.76 0.00 -0.69 0.00 0.00 174.62 175.71 1xug n GLY 23 N -1.21 3.34 3.71 0.00 0.00 -1.26 -4.83 105.19 104.93 1xug n GLY 23 Ca 0.01 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 1xug n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xug s ALA 24 N -1.33 3.85 -1.95 4.61 0.00 -1.26 -2.70 121.76 122.98 1xug s ALA 24 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1xug s ALA 24 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1xug s ALA 24 CO 0.00 -1.08 0.00 0.09 0.00 0.00 0.00 175.76 174.77 1xug n ASN 25 N 4.86 -5.81 -0.13 0.00 4.13 -1.26 -4.88 115.26 112.16 1xug n ASN 25 Ca 0.17 0.17 0.14 0.00 1.68 0.00 0.00 54.58 56.73 1xug n ASN 25 Cb 0.37 -4.93 0.56 0.00 -1.54 0.00 0.00 39.78 34.24 1xug n ASN 25 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1xug n THR 26 N -3.45 0.00 -3.43 3.41 -2.24 -1.10 -4.06 114.28 103.41 1xug n THR 26 Ca -0.24 -0.07 -0.26 0.00 -2.27 0.00 0.00 64.05 61.21 1xug n THR 26 Cb 0.69 -0.01 -0.09 0.00 -2.10 0.00 0.00 70.33 68.82 1xug n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1xug n VAL 27 N -0.92 0.84 0.35 2.28 0.31 -1.26 -4.98 118.33 114.94 1xug n VAL 27 Ca 0.14 -4.56 0.08 0.00 -0.01 0.00 0.00 64.34 59.99 1xug n VAL 27 Cb 0.29 -2.01 0.36 0.00 -0.91 0.00 0.00 33.84 31.57 1xug n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1xug n PRO 28 N 1.47 0.08 0.00 5.55 -0.04 -1.26 -1.92 135.00 138.89 1xug n PRO 28 Ca 0.26 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 64.23 1xug n PRO 28 Cb 0.45 -1.68 0.17 0.00 -0.04 0.00 0.00 33.50 32.40 1xug n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1xug n TYR 29 N -1.84 0.00 -2.51 0.54 0.18 -1.19 -2.00 117.16 110.34 1xug n TYR 29 Ca 0.02 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.39 1xug n TYR 29 Cb 0.15 -0.08 -0.04 0.00 -0.38 0.00 0.00 39.34 38.99 1xug n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1xug s GLN 30 N -2.59 4.56 0.21 -3.48 2.00 -0.81 -0.93 119.66 118.62 1xug s GLN 30 Ca 0.19 1.71 0.08 0.00 -2.00 0.00 0.00 55.36 55.35 1xug s GLN 30 Cb 0.18 -3.30 -0.05 0.00 0.80 0.00 0.00 33.01 30.65 1xug s GLN 30 CO 0.59 0.01 -0.16 0.14 -0.50 0.00 0.00 175.29 175.37 1xug s VAL 31 N 0.06 1.85 -0.09 1.34 -7.23 -0.37 -4.49 120.40 111.47 1xug s VAL 31 Ca 0.51 -2.19 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 1xug s VAL 31 Cb -0.29 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 1xug s VAL 31 CO 0.33 -0.53 -0.16 -0.55 -0.31 0.00 0.00 175.10 173.88 1xug s SER 32 N -3.25 3.78 -0.24 4.85 0.15 -0.34 -2.20 113.70 116.45 1xug s SER 32 Ca 0.22 -0.33 -0.10 0.00 0.70 0.00 0.00 55.95 56.44 1xug s SER 32 Cb -0.02 -1.19 -0.05 0.00 -1.71 0.00 0.00 66.02 63.05 1xug s SER 32 CO 0.08 0.24 0.16 -0.76 1.20 0.00 0.00 173.24 174.16 1xug s LEU 33 N -0.12 4.09 -0.04 3.45 1.43 0.12 -0.51 118.68 127.10 1xug s LEU 33 Ca -0.02 0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1xug s LEU 33 Cb -0.14 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 1xug s LEU 33 CO 0.04 0.06 -0.20 0.21 0.23 0.00 0.00 176.35 176.69 1xug s ASN 34 N 1.12 2.41 -0.32 2.29 3.84 0.06 -1.67 114.94 122.66 1xug s ASN 34 Ca 0.07 -0.39 0.16 0.00 0.21 0.00 0.00 52.86 52.91 1xug s ASN 34 Cb -0.14 -0.56 0.46 0.00 -0.55 0.00 0.00 41.25 40.47 1xug s ASN 34 CO 0.05 0.20 1.03 -1.54 -2.79 0.00 0.00 177.10 174.05 1xug n SER 37 N 2.95 2.25 0.00 -4.21 3.41 -1.26 -1.50 113.62 115.26 1xug n SER 37 Ca -0.17 -2.80 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 1xug n SER 37 Cb 0.53 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1xug n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xug n GLY 38 N -0.29 0.28 3.68 5.00 0.00 -1.26 -4.99 105.19 107.60 1xug n GLY 38 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 1xug n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xug s TYR 39 N -2.00 -0.25 -0.16 1.61 1.13 -1.26 -5.13 117.35 111.29 1xug s TYR 39 Ca 0.00 -0.05 -0.25 0.00 -1.41 0.00 0.00 57.07 55.36 1xug s TYR 39 Cb 0.00 0.63 -0.02 0.00 -1.10 0.00 0.00 41.96 41.47 1xug s TYR 39 CO 0.00 -0.88 0.81 -1.58 -2.51 0.00 0.00 175.55 171.39 1xug s HIS 40 N -3.48 3.43 0.00 -3.49 5.65 -1.26 -4.25 115.29 111.89 1xug s HIS 40 Ca 0.09 1.24 0.00 0.00 0.25 0.00 0.00 55.06 56.64 1xug s HIS 40 Cb -0.02 -2.99 0.00 0.00 -1.18 0.00 0.00 32.58 28.39 1xug s HIS 40 CO -0.01 -0.21 0.00 1.97 -0.65 0.00 0.00 174.74 175.84 1xug n PHE 41 N 5.08 0.00 -3.68 3.88 -1.74 -0.67 -5.00 117.46 115.33 1xug n PHE 41 Ca 0.04 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.84 1xug n PHE 41 Cb 0.49 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.47 1xug n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1xug n GLY 43 N -0.43 2.49 3.77 0.00 0.00 0.19 -0.70 105.19 110.51 1xug n GLY 43 Ca -0.09 -2.27 -0.01 0.00 0.00 0.00 0.00 46.02 43.65 1xug n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xug s GLY 44 N -4.23 -0.20 -0.03 -0.02 0.00 -0.94 -3.66 107.32 98.24 1xug s GLY 44 Ca 0.39 0.19 0.04 0.00 0.00 0.00 0.00 44.72 45.35 1xug s GLY 44 CO 0.25 1.30 -0.15 -0.56 0.00 0.00 0.00 173.10 173.94 1xug s SER 45 N -3.17 1.88 -0.19 1.64 0.01 -0.43 -1.24 113.70 112.19 1xug s SER 45 Ca 0.17 -0.30 -0.25 0.00 1.31 0.00 0.00 55.95 56.88 1xug s SER 45 Cb 0.01 -0.43 -0.01 0.00 0.21 0.00 0.00 66.02 65.79 1xug s SER 45 CO 0.01 0.15 0.82 -0.22 0.41 0.00 0.00 173.24 174.40 1xug s LEU 46 N -0.05 4.14 0.00 2.44 2.96 -0.11 -1.21 118.68 126.86 1xug s LEU 46 Ca -0.01 1.11 0.13 0.00 -0.22 0.00 0.00 54.13 55.15 1xug s LEU 46 Cb -0.09 -3.20 -0.12 0.00 0.50 0.00 0.00 46.19 43.28 1xug s LEU 46 CO 0.01 -0.43 0.59 2.30 -1.32 0.00 0.00 176.35 177.50 1xug n ILE 47 N 4.90 0.00 -3.72 6.68 -5.35 -0.73 -1.04 119.36 120.09 1xug n ILE 47 Ca 0.05 -0.22 -0.04 0.00 -0.27 0.00 0.00 62.75 62.27 1xug n ILE 47 Cb 0.48 1.03 0.02 0.00 -1.74 0.00 0.00 39.64 39.43 1xug n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1xug n ASN 48 N -1.10 -1.41 0.04 7.28 0.23 -1.23 -4.61 115.26 114.46 1xug n ASN 48 Ca 0.03 -1.83 0.10 0.00 -0.53 0.00 0.00 54.58 52.35 1xug n ASN 48 Cb 0.22 2.32 0.41 0.00 -2.08 0.00 0.00 39.78 40.65 1xug n ASN 48 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1xug n SER 49 N -1.20 0.23 0.00 0.53 3.41 -1.26 -3.67 113.62 111.67 1xug n SER 49 Ca -0.03 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1xug n SER 49 Cb 0.43 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1xug n SER 49 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1xug n GLN 50 N -1.75 -0.50 -4.33 4.33 7.27 -1.26 -0.63 117.38 120.50 1xug n GLN 50 Ca 0.04 -0.38 -0.20 0.00 0.07 0.00 0.00 57.00 56.53 1xug n GLN 50 Cb 0.23 -0.88 -0.13 0.00 2.41 0.00 0.00 30.24 31.87 1xug n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1xug s TRP 51 N -0.04 1.25 0.08 3.69 0.52 -1.24 -0.25 118.94 122.95 1xug s TRP 51 Ca 0.00 -0.37 0.06 0.00 0.02 0.00 0.00 56.10 55.81 1xug s TRP 51 Cb 0.00 -0.73 -0.03 0.00 -1.15 0.00 0.00 33.47 31.56 1xug s TRP 51 CO 0.00 0.04 -0.17 0.08 0.02 0.00 0.00 176.95 176.92 1xug s VAL 52 N -0.92 1.39 -0.05 4.03 1.01 -0.19 -1.78 120.40 123.89 1xug s VAL 52 Ca 0.01 -1.36 0.05 0.00 0.00 0.00 0.00 61.98 60.68 1xug s VAL 52 Cb -0.08 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1xug s VAL 52 CO 0.01 -0.11 -0.21 -0.69 0.00 0.00 0.00 175.10 174.11 1xug s VAL 53 N -1.15 2.46 0.00 2.92 1.01 -0.35 -0.27 120.40 125.02 1xug s VAL 53 Ca 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1xug s VAL 53 Cb -0.10 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1xug s VAL 53 CO 0.03 0.57 0.00 -0.24 0.00 0.00 0.00 175.10 175.46 1xug n SER 54 N 2.71 0.00 -4.89 3.32 2.88 0.34 -1.32 113.62 116.66 1xug n SER 54 Ca -0.17 -0.42 -0.35 0.00 -1.33 0.00 0.00 58.87 56.60 1xug n SER 54 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.92 1xug n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xug s ALA 55 N -1.64 3.89 0.47 -1.46 0.00 -1.26 -0.35 121.76 121.41 1xug s ALA 55 Ca 0.00 -0.65 0.15 0.00 0.00 0.00 0.00 51.96 51.46 1xug s ALA 55 Cb 0.00 -1.98 1.11 0.00 0.00 0.00 0.00 23.12 22.25 1xug s ALA 55 CO 0.00 0.66 2.05 0.00 0.00 0.00 0.00 175.76 178.47 1xug h ALA 56 N 4.37 1.79 0.00 0.00 0.00 -1.68 -0.66 119.26 123.08 1xug h ALA 56 Ca -0.52 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1xug h ALA 56 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xug h ALA 56 CO 0.64 0.15 0.00 -2.39 0.00 0.00 0.00 179.25 177.64 1xug n HIS 57 N -4.37 0.00 1.03 0.00 1.44 -1.26 -2.07 115.22 109.99 1xug n HIS 57 Ca -0.03 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.80 1xug n HIS 57 Cb 0.19 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.37 1xug n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xug n TYR 59 N 0.27 2.97 -3.64 0.00 9.36 -0.88 -4.99 117.16 120.25 1xug n TYR 59 Ca 0.11 0.45 -0.00 0.00 3.32 0.00 0.00 57.90 61.77 1xug n TYR 59 Cb 0.49 -2.53 -0.01 0.00 -0.63 0.00 0.00 39.34 36.66 1xug n TYR 59 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1xug s LYS 60 N -2.07 0.57 0.36 2.98 -2.85 -1.26 -5.15 119.74 112.32 1xug s LYS 60 Ca 0.53 -0.30 0.07 0.00 -1.00 0.00 0.00 55.97 55.27 1xug s LYS 60 Cb -0.48 0.20 -0.00 0.00 -2.06 0.00 0.00 37.83 35.49 1xug s LYS 60 CO 0.64 -0.26 0.50 -1.54 0.10 0.00 0.00 175.35 174.79 1xug s SER 61 N -2.89 5.88 -0.39 0.03 1.04 -1.26 -4.58 113.70 111.52 1xug s SER 61 Ca 0.13 -0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.30 1xug s SER 61 Cb 0.03 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 65.08 1xug s SER 61 CO -0.03 -0.53 0.34 0.61 0.98 0.00 0.00 173.24 174.61 1xug n GLY 62 N -1.71 0.30 3.75 7.32 0.00 -1.26 -5.01 105.19 108.59 1xug n GLY 62 Ca 0.02 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1xug n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xug s ILE 63 N -3.11 5.40 -0.12 -0.61 1.01 -1.26 -4.51 121.20 118.00 1xug s ILE 63 Ca 0.07 0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.99 1xug s ILE 63 Cb -0.03 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1xug s ILE 63 CO 0.23 0.46 -0.15 -1.58 0.00 0.00 0.00 174.94 173.90 1xug s GLN 64 N 0.14 3.32 -0.20 2.79 0.74 -0.56 -1.33 119.66 124.56 1xug s GLN 64 Ca 0.11 -0.72 -0.13 0.00 0.05 0.00 0.00 55.36 54.67 1xug s GLN 64 Cb -0.12 -2.57 -0.05 0.00 1.10 0.00 0.00 33.01 31.38 1xug s GLN 64 CO 0.00 0.21 0.26 0.08 -0.55 0.00 0.00 175.29 175.29 1xug s VAL 65 N 0.34 5.31 -0.27 1.34 1.01 0.78 -0.76 120.40 128.14 1xug s VAL 65 Ca -0.12 0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 1xug s VAL 65 Cb -0.16 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.65 1xug s VAL 65 CO 0.06 0.35 -0.01 -0.13 0.00 0.00 0.00 175.10 175.37 1xug s ARG 66 N 0.82 2.82 0.22 2.72 0.52 0.33 -1.26 118.95 125.12 1xug s ARG 66 Ca 0.14 -1.00 0.05 0.00 -0.52 0.00 0.00 55.73 54.39 1xug s ARG 66 Cb -0.13 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 1xug s ARG 66 CO 0.04 -0.46 0.28 -0.51 0.02 0.00 0.00 175.30 174.68 1xug s LEU 67 N 1.36 4.14 -1.76 2.53 1.02 -0.46 -1.20 118.68 124.32 1xug s LEU 67 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.14 1xug s LEU 67 Cb -0.17 -2.69 0.00 0.00 0.02 0.00 0.00 46.19 43.34 1xug s LEU 67 CO -0.02 -0.03 0.00 0.61 0.02 0.00 0.00 176.35 176.94 1xug n GLY 69 N -1.09 0.92 3.88 -3.19 0.00 -1.26 -2.11 105.19 102.36 1xug n GLY 69 Ca -0.08 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1xug n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xug s GLU 70 N -4.06 3.75 0.00 1.61 0.41 -1.26 -4.00 118.70 115.15 1xug s GLU 70 Ca 0.00 0.29 0.00 0.00 -0.41 0.00 0.00 54.97 54.85 1xug s GLU 70 Cb 0.00 -2.52 0.00 0.00 -1.78 0.00 0.00 34.13 29.83 1xug s GLU 70 CO 0.00 0.12 0.00 -3.47 -0.49 0.00 0.00 175.26 171.42 1xug n ASP 71 N -0.92 0.00 -4.58 -0.19 2.03 -1.26 -4.57 116.55 107.06 1xug n ASP 71 Ca 0.01 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.89 1xug n ASP 71 Cb 0.54 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.89 1xug n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1xug s ASN 72 N -0.71 6.55 0.00 1.67 3.84 -1.26 -3.20 114.94 121.83 1xug s ASN 72 Ca 0.00 0.27 0.18 0.00 0.21 0.00 0.00 52.86 53.52 1xug s ASN 72 Cb 0.00 -2.44 0.77 0.00 -0.55 0.00 0.00 41.25 39.03 1xug s ASN 72 CO 0.00 -0.95 1.58 2.30 -2.79 0.00 0.00 177.10 177.24 1xug n ILE 73 N 6.20 0.75 0.76 -5.21 -5.35 -0.43 -2.98 119.36 113.10 1xug n ILE 73 Ca 0.06 0.19 0.09 0.00 -0.27 0.00 0.00 62.75 62.81 1xug n ILE 73 Cb 0.48 -0.88 0.05 0.00 -1.74 0.00 0.00 39.64 37.56 1xug n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1xug n ASN 74 N -1.50 2.28 -4.03 7.28 3.02 -1.26 -4.94 115.26 116.11 1xug n ASN 74 Ca 0.04 -1.64 -0.22 0.00 -0.03 0.00 0.00 54.58 52.73 1xug n ASN 74 Cb 0.21 0.13 -0.16 0.00 -0.61 0.00 0.00 39.78 39.35 1xug n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xug s VAL 75 N -1.65 0.99 -0.41 2.41 1.01 -1.16 -5.09 120.40 116.50 1xug s VAL 75 Ca 0.19 -0.45 -0.23 0.00 0.00 0.00 0.00 61.98 61.49 1xug s VAL 75 Cb 0.15 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.67 1xug s VAL 75 CO 0.28 0.30 0.78 -0.69 0.00 0.00 0.00 175.10 175.78 1xug s VAL 76 N 0.29 4.69 -0.30 2.92 1.01 -1.26 -4.71 120.40 123.04 1xug s VAL 76 Ca -0.06 0.63 0.17 0.00 0.00 0.00 0.00 61.98 62.72 1xug s VAL 76 Cb -0.11 -4.27 -0.23 0.00 0.00 0.00 0.00 36.38 31.77 1xug s VAL 76 CO 0.01 -0.58 0.49 -0.62 0.00 0.00 0.00 175.10 174.41 1xug n GLU 77 N 6.57 0.90 0.00 2.72 1.02 -1.26 -5.09 120.64 125.50 1xug n GLU 77 Ca 0.03 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1xug n GLU 77 Cb 0.48 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1xug n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xug n GLY 78 N 1.48 3.01 1.82 0.62 0.00 -1.26 -5.01 105.19 105.86 1xug n GLY 78 Ca -0.01 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1xug n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xug n ASN 79 N 0.00 0.00 -4.80 1.61 3.02 -1.26 -4.95 115.26 108.88 1xug n ASN 79 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 1xug n ASN 79 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1xug n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xug s GLU 80 N -0.39 4.27 -0.05 3.52 8.01 -1.26 -4.18 118.70 128.62 1xug s GLU 80 Ca 0.00 1.25 -0.01 0.00 0.01 0.00 0.00 54.97 56.22 1xug s GLU 80 Cb 0.00 -2.38 0.03 0.00 -4.31 0.00 0.00 34.13 27.46 1xug s GLU 80 CO 0.00 -0.00 0.01 -0.65 0.01 0.00 0.00 175.26 174.62 1xug s GLN 81 N -2.80 0.40 -0.25 1.61 -0.21 -0.90 -4.98 119.66 112.54 1xug s GLN 81 Ca 0.59 0.12 -0.04 0.00 0.02 0.00 0.00 55.36 56.05 1xug s GLN 81 Cb -0.14 -0.69 0.01 0.00 1.00 0.00 0.00 33.01 33.18 1xug s GLN 81 CO 0.18 -0.22 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.06 1xug s PHE 82 N 1.54 3.05 -0.01 0.91 0.08 -1.26 -1.35 117.98 120.93 1xug s PHE 82 Ca -0.02 -1.15 0.04 0.00 0.12 0.00 0.00 56.93 55.92 1xug s PHE 82 Cb -0.13 -2.14 -0.01 0.00 -0.57 0.00 0.00 43.02 40.18 1xug s PHE 82 CO -0.03 -0.62 -0.14 0.42 -0.10 0.00 0.00 175.22 174.75 1xug s ILE 83 N 1.43 1.13 0.53 0.64 1.01 -0.39 -4.98 121.20 120.58 1xug s ILE 83 Ca 0.03 -0.61 -0.16 0.00 0.00 0.00 0.00 60.65 59.92 1xug s ILE 83 Cb -0.16 -0.95 -0.07 0.00 0.01 0.00 0.00 42.46 41.29 1xug s ILE 83 CO -0.02 0.32 0.99 -0.44 0.00 0.00 0.00 174.94 175.80 1xug s SER 84 N -0.28 6.56 0.17 3.58 0.01 -1.26 -0.15 113.70 122.32 1xug s SER 84 Ca 0.04 1.55 -0.29 0.00 1.31 0.00 0.00 55.95 58.56 1xug s SER 84 Cb -0.06 -2.50 -0.07 0.00 0.21 0.00 0.00 66.02 63.59 1xug s SER 84 CO -0.00 -0.64 0.91 0.00 0.41 0.00 0.00 173.24 173.92 1xug s ALA 85 N -2.71 3.32 -0.16 1.44 0.00 -0.44 -1.35 121.76 121.86 1xug s ALA 85 Ca 0.58 0.55 -0.04 0.00 0.00 0.00 0.00 51.96 53.05 1xug s ALA 85 Cb -0.10 -3.19 -0.24 0.00 0.00 0.00 0.00 23.12 19.60 1xug s ALA 85 CO 0.35 0.13 0.20 -1.13 0.00 0.00 0.00 175.76 175.31 1xug n SER 86 N 2.06 2.09 -3.71 0.00 3.41 0.12 -4.70 113.62 112.89 1xug n SER 86 Ca -0.01 0.11 -0.14 0.00 -0.26 0.00 0.00 58.87 58.57 1xug n SER 86 Cb 0.48 -0.74 -0.08 0.00 -0.26 0.00 0.00 64.21 63.61 1xug n SER 86 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1xug s LYS 87 N -2.55 0.77 -0.09 4.33 -2.85 -1.20 -5.00 119.74 113.16 1xug s LYS 87 Ca -0.26 -0.15 0.05 0.00 -1.00 0.00 0.00 55.97 54.61 1xug s LYS 87 Cb 0.07 0.35 -0.00 0.00 -2.06 0.00 0.00 37.83 36.19 1xug s LYS 87 CO 0.72 -0.23 -0.24 -1.12 0.10 0.00 0.00 175.35 174.58 1xug s SER 88 N -1.42 3.06 -0.35 0.03 0.01 -1.26 -1.03 113.70 112.75 1xug s SER 88 Ca -0.12 -0.54 -0.01 0.00 1.31 0.00 0.00 55.95 56.59 1xug s SER 88 Cb -0.04 -1.22 0.08 0.00 0.21 0.00 0.00 66.02 65.05 1xug s SER 88 CO 0.04 0.18 0.08 -0.63 0.41 0.00 0.00 173.24 173.32 1xug s ILE 89 N 0.19 2.90 0.18 1.44 1.01 0.95 -4.97 121.20 122.91 1xug s ILE 89 Ca -0.14 -1.84 -0.26 0.00 0.00 0.00 0.00 60.65 58.40 1xug s ILE 89 Cb -0.17 -2.88 -0.08 0.00 0.01 0.00 0.00 42.46 39.34 1xug s ILE 89 CO 0.07 -0.42 0.81 -0.69 0.00 0.00 0.00 174.94 174.72 1xug s VAL 90 N 1.13 4.30 0.13 2.92 1.01 -1.26 -1.49 120.40 127.14 1xug s VAL 90 Ca 0.03 1.79 -0.34 0.00 0.00 0.00 0.00 61.98 63.45 1xug s VAL 90 Cb -0.21 -4.18 -0.14 0.00 0.00 0.00 0.00 36.38 31.86 1xug s VAL 90 CO -0.04 0.52 1.61 1.57 0.00 0.00 0.00 175.10 178.76 1xug n HIS 91 N 1.56 2.26 -0.13 5.22 -0.00 -0.98 -4.85 115.22 118.31 1xug n HIS 91 Ca -0.05 0.24 0.22 0.00 0.46 0.00 0.00 57.72 58.59 1xug n HIS 91 Cb 0.48 -2.55 0.64 0.00 -0.12 0.00 0.00 29.99 28.44 1xug n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1xug h PRO 92 N 6.32 0.14 -0.63 1.57 0.11 -1.93 -1.58 132.00 135.99 1xug h PRO 92 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xug h PRO 92 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xug h PRO 92 CO 0.89 0.09 0.00 0.43 -0.21 0.00 0.00 178.00 179.21 1xug n SER 93 N -4.39 4.96 -4.73 -2.05 7.64 -1.26 -4.96 113.62 108.83 1xug n SER 93 Ca 0.15 -2.68 -0.42 0.00 1.01 0.00 0.00 58.87 56.93 1xug n SER 93 Cb 0.72 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 1xug n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1xug s TYR 94 N -2.31 2.98 -0.24 1.43 5.04 -0.60 -4.68 117.35 118.97 1xug s TYR 94 Ca 0.48 0.73 0.02 0.00 -2.44 0.00 0.00 57.07 55.86 1xug s TYR 94 Cb 0.35 -3.94 0.04 0.00 0.35 0.00 0.00 41.96 38.76 1xug s TYR 94 CO 0.17 -3.34 -0.13 1.21 -1.34 0.00 0.00 175.55 172.13 1xug s ASN 95 N 0.82 4.07 0.11 4.32 3.84 -0.96 -4.98 114.94 122.15 1xug s ASN 95 Ca 0.66 -1.13 0.22 0.00 0.21 0.00 0.00 52.86 52.83 1xug s ASN 95 Cb -0.45 -1.55 0.88 0.00 -0.55 0.00 0.00 41.25 39.59 1xug s ASN 95 CO 0.37 -0.13 1.68 -1.54 -2.79 0.00 0.00 177.10 174.69 1xug n SER 96 N 4.52 0.34 0.01 -4.21 3.41 -1.26 0.04 113.62 116.46 1xug n SER 96 Ca -0.16 0.56 -0.17 0.00 -0.26 0.00 0.00 58.87 58.84 1xug n SER 96 Cb 0.45 -0.64 -0.14 0.00 -0.26 0.00 0.00 64.21 63.62 1xug n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1xug h ASN 97 N 0.00 0.29 0.00 4.04 2.35 -1.97 -3.38 115.58 116.91 1xug h ASN 97 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 1xug h ASN 97 Cb 0.41 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1xug h ASN 97 CO 0.00 1.52 -1.49 0.35 -1.65 0.00 0.00 177.43 176.17 1xug n THR 98 N -3.34 0.00 -2.03 2.81 -2.24 -1.17 -4.96 114.28 103.35 1xug n THR 98 Ca -0.24 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.11 1xug n THR 98 Cb 1.05 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 69.71 1xug n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1xug n LEU 99 N -1.88 -1.47 -4.76 3.22 7.99 0.11 -4.99 117.00 115.21 1xug n LEU 99 Ca -0.01 0.09 -0.39 0.00 -0.01 0.00 0.00 56.01 55.69 1xug n LEU 99 Cb 0.43 -2.14 -0.05 0.00 -0.11 0.00 0.00 43.42 41.55 1xug n LEU 99 CO 0.41 -0.32 0.74 0.21 -1.51 0.00 0.00 177.39 176.92 1xug s ASN 100 N -2.50 7.24 -1.12 -1.43 2.47 -1.19 -3.29 114.94 115.12 1xug s ASN 100 Ca 0.00 2.12 -0.03 0.00 0.42 0.00 0.00 52.86 55.36 1xug s ASN 100 Cb 0.00 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.19 1xug s ASN 100 CO 0.00 -0.15 0.96 0.59 -3.72 0.00 0.00 177.10 174.77 1xug n ASN 101 N 0.91 -3.73 -4.29 -4.21 3.02 -1.26 -2.28 115.26 103.42 1xug n ASN 101 Ca 0.00 -0.52 -0.43 0.00 -0.03 0.00 0.00 54.58 53.61 1xug n ASN 101 Cb 0.47 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 35.08 1xug n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1xug n ASP 102 N -2.71 4.86 -3.84 6.41 2.03 -1.21 -4.38 116.55 117.71 1xug n ASP 102 Ca -0.14 -2.95 -0.12 0.00 0.52 0.00 0.00 54.79 52.10 1xug n ASP 102 Cb 0.61 -1.64 -0.11 0.00 -0.72 0.00 0.00 41.12 39.26 1xug n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1xug s ILE 103 N 2.69 0.04 -0.04 5.18 2.07 -1.26 -3.93 121.20 125.95 1xug s ILE 103 Ca 0.47 -0.37 -0.05 0.00 -1.41 0.00 0.00 60.65 59.30 1xug s ILE 103 Cb 0.05 -0.35 0.01 0.00 0.13 0.00 0.00 42.46 42.30 1xug s ILE 103 CO 0.02 -0.20 0.12 -0.32 -1.91 0.00 0.00 174.94 172.65 1xug s MET 104 N -0.71 0.18 -0.08 3.50 -2.45 0.53 -2.31 119.30 117.96 1xug s MET 104 Ca -0.08 0.10 -0.01 0.00 -1.25 0.00 0.00 55.69 54.45 1xug s MET 104 Cb -0.05 0.08 -0.03 0.00 1.25 0.00 0.00 34.83 36.09 1xug s MET 104 CO 0.01 -0.03 -0.03 -0.51 1.05 0.00 0.00 175.02 175.52 1xug s LEU 105 N -0.11 3.40 -0.10 4.11 1.43 -0.56 -0.51 118.68 126.36 1xug s LEU 105 Ca -0.02 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 1xug s LEU 105 Cb -0.02 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.44 1xug s LEU 105 CO 0.00 0.36 -0.19 -0.63 0.23 0.00 0.00 176.35 176.13 1xug s ILE 106 N -0.80 1.70 -0.15 -0.59 1.01 0.63 -0.03 121.20 122.97 1xug s ILE 106 Ca 0.12 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 1xug s ILE 106 Cb -0.11 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1xug s ILE 106 CO 0.02 0.48 0.12 -0.75 0.00 0.00 0.00 174.94 174.81 1xug s LYS 107 N 0.60 3.67 0.28 2.79 2.20 -0.20 -1.02 119.74 128.06 1xug s LYS 107 Ca -0.14 -0.20 -0.16 0.00 -0.36 0.00 0.00 55.97 55.11 1xug s LYS 107 Cb -0.17 -3.23 -0.09 0.00 -1.51 0.00 0.00 37.83 32.84 1xug s LYS 107 CO 0.04 0.59 0.71 -0.51 -0.36 0.00 0.00 175.35 175.82 1xug s LEU 108 N -0.49 4.16 0.20 5.43 1.43 0.66 0.16 118.68 130.23 1xug s LEU 108 Ca 0.12 1.28 -0.10 0.00 -1.03 0.00 0.00 54.13 54.40 1xug s LEU 108 Cb -0.12 -3.88 0.13 0.00 0.03 0.00 0.00 46.19 42.36 1xug s LEU 108 CO 0.02 -0.12 1.79 0.50 0.23 0.00 0.00 176.35 178.77 1xug h LYS 109 N 2.65 1.03 -4.98 1.70 3.64 -1.49 -3.42 116.57 115.71 1xug h LYS 109 Ca -0.48 -0.15 -0.33 0.00 -1.27 0.00 0.00 60.65 58.42 1xug h LYS 109 Cb 1.18 -0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 32.67 1xug h LYS 109 CO 0.66 0.80 -0.67 -1.54 -2.27 0.00 0.00 179.45 176.43 1xug s SER 110 N -6.12 1.60 0.46 4.20 1.04 -1.26 -5.00 113.70 108.61 1xug s SER 110 Ca -0.13 -1.15 -0.21 0.00 0.48 0.00 0.00 55.95 54.94 1xug s SER 110 Cb 0.14 0.04 -0.10 0.00 0.10 0.00 0.00 66.02 66.21 1xug s SER 110 CO 0.81 -0.49 0.99 0.00 0.98 0.00 0.00 173.24 175.53 1xug s ALA 111 N -3.48 2.96 0.50 5.32 0.00 -1.26 -4.84 121.76 120.96 1xug s ALA 111 Ca 0.24 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.58 1xug s ALA 111 Cb 0.05 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 1xug s ALA 111 CO 0.05 -0.08 0.90 0.00 0.00 0.00 0.00 175.76 176.64 1xug s ALA 112 N -2.09 3.21 -0.43 0.00 0.00 0.20 -5.00 121.76 117.64 1xug s ALA 112 Ca 0.64 -0.10 -0.20 0.00 0.00 0.00 0.00 51.96 52.31 1xug s ALA 112 Cb -0.12 -2.91 0.02 0.00 0.00 0.00 0.00 23.12 20.11 1xug s ALA 112 CO 0.16 -0.30 0.60 -1.54 0.00 0.00 0.00 175.76 174.68 1xug s SER 113 N -3.51 6.30 0.25 0.00 1.04 -1.26 -4.88 113.70 111.63 1xug s SER 113 Ca 0.54 -0.41 -0.28 0.00 0.48 0.00 0.00 55.95 56.28 1xug s SER 113 Cb -0.10 -2.30 -0.09 0.00 0.10 0.00 0.00 66.02 63.63 1xug s SER 113 CO 0.39 -0.73 0.91 -0.76 0.98 0.00 0.00 173.24 174.02 1xug s LEU 114 N 2.67 4.57 0.00 2.42 1.43 -1.26 -4.78 118.68 123.72 1xug s LEU 114 Ca 0.20 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 1xug s LEU 114 Cb -0.15 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.43 1xug s LEU 114 CO 0.18 0.12 0.00 -0.46 0.23 0.00 0.00 176.35 176.41 1xug n ASN 115 N 1.29 0.00 0.10 2.29 0.23 0.48 -4.95 115.26 114.70 1xug n ASN 115 Ca -0.02 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.16 1xug n ASN 115 Cb 0.48 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.61 1xug n ASN 115 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1xug n SER 116 N 0.00 0.75 0.01 0.53 3.41 -1.26 -3.10 113.62 113.95 1xug n SER 116 Ca 0.00 0.58 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 1xug n SER 116 Cb 0.00 -0.78 -0.12 0.00 -0.26 0.00 0.00 64.21 63.05 1xug n SER 116 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xug n ARG 117 N -2.21 0.65 -3.87 4.33 3.00 -1.26 -4.74 116.66 112.55 1xug n ARG 117 Ca 0.05 -0.05 -0.30 0.00 -0.01 0.00 0.00 57.85 57.55 1xug n ARG 117 Cb 0.40 -1.63 -0.16 0.00 0.00 0.00 0.00 32.46 31.08 1xug n ARG 117 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1xug s VAL 118 N -3.26 1.29 0.06 1.55 1.01 -1.18 -4.48 120.40 115.39 1xug s VAL 118 Ca -0.06 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1xug s VAL 118 Cb 0.11 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1xug s VAL 118 CO 0.86 -0.26 -0.04 0.00 0.00 0.00 0.00 175.10 175.65 1xug s ALA 119 N 1.48 0.61 0.43 5.51 0.00 -0.85 -0.39 121.76 128.55 1xug s ALA 119 Ca -0.01 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.82 1xug s ALA 119 Cb -0.18 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 1xug s ALA 119 CO -0.10 -0.28 0.63 -1.54 0.00 0.00 0.00 175.76 174.48 1xug s SER 120 N -2.68 5.86 0.13 0.00 1.04 -1.26 -3.15 113.70 113.63 1xug s SER 120 Ca 0.04 0.20 0.07 0.00 0.48 0.00 0.00 55.95 56.74 1xug s SER 120 Cb 0.04 -1.48 -0.04 0.00 0.10 0.00 0.00 66.02 64.64 1xug s SER 120 CO -0.07 -0.65 -0.03 -0.51 0.98 0.00 0.00 173.24 172.96 1xug s ILE 121 N -2.48 3.68 0.27 -1.02 1.10 -0.21 -4.89 121.20 117.65 1xug s ILE 121 Ca 0.48 -1.27 -0.18 0.00 -0.51 0.00 0.00 60.65 59.16 1xug s ILE 121 Cb -0.10 -2.79 -0.09 0.00 0.15 0.00 0.00 42.46 39.64 1xug s ILE 121 CO 0.37 0.02 0.75 -0.44 -2.11 0.00 0.00 174.94 173.52 1xug s SER 122 N -2.55 6.97 0.43 4.50 0.01 -1.26 -4.57 113.70 117.23 1xug s SER 122 Ca 0.25 1.41 -0.15 0.00 1.31 0.00 0.00 55.95 58.77 1xug s SER 122 Cb -0.10 -2.42 -0.08 0.00 0.21 0.00 0.00 66.02 63.63 1xug s SER 122 CO 0.17 -0.07 0.86 -0.76 0.41 0.00 0.00 173.24 173.84 1xug s LEU 123 N -2.38 3.82 0.71 2.44 1.43 -1.26 -0.87 118.68 122.57 1xug s LEU 123 Ca 0.48 1.38 -0.11 0.00 -1.03 0.00 0.00 54.13 54.84 1xug s LEU 123 Cb -0.14 -4.26 0.01 0.00 0.03 0.00 0.00 46.19 41.84 1xug s LEU 123 CO 0.20 -0.42 1.08 -2.16 0.23 0.00 0.00 176.35 175.28 1xug s PRO 124 N -3.67 2.87 -0.01 1.29 0.04 -1.26 -4.77 135.00 129.49 1xug s PRO 124 Ca 0.56 0.57 0.12 0.00 0.04 0.00 0.00 61.00 62.29 1xug s PRO 124 Cb -0.10 -2.01 -0.18 0.00 0.04 0.00 0.00 34.50 32.25 1xug s PRO 124 CO 0.26 -1.05 0.28 0.25 0.04 0.00 0.00 177.00 176.78 1xug n THR 125 N -3.04 0.00 -3.70 1.26 -2.24 -1.26 -4.95 114.28 100.35 1xug n THR 125 Ca 0.07 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 1xug n THR 125 Cb 0.56 0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 69.06 1xug n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xug s SER 127 N -3.20 -0.15 0.86 3.42 1.04 -1.26 -5.14 113.70 109.26 1xug s SER 127 Ca -0.03 -0.42 -0.12 0.00 0.48 0.00 0.00 55.95 55.86 1xug s SER 127 Cb 0.08 0.45 0.10 0.00 0.10 0.00 0.00 66.02 66.75 1xug s SER 127 CO 0.48 -0.84 1.11 0.00 0.98 0.00 0.00 173.24 174.97 1xug s ALA 129 N -3.14 3.97 0.49 0.00 0.00 -1.26 -5.10 121.76 116.71 1xug s ALA 129 Ca 0.62 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 1xug s ALA 129 Cb -0.15 -1.87 -0.00 0.00 0.00 0.00 0.00 23.12 21.09 1xug s ALA 129 CO 0.55 0.74 0.74 -1.54 0.00 0.00 0.00 175.76 176.25 1xug s SER 130 N -2.65 5.83 0.53 0.00 1.04 -1.26 -5.01 113.70 112.18 1xug s SER 130 Ca 0.36 0.46 -0.22 0.00 0.48 0.00 0.00 55.95 57.04 1xug s SER 130 Cb -0.12 -1.66 -0.05 0.00 0.10 0.00 0.00 66.02 64.28 1xug s SER 130 CO 0.28 -0.77 1.30 0.00 0.98 0.00 0.00 173.24 175.03 1xug s ALA 132 N -2.68 2.82 0.00 5.32 0.00 -1.26 -1.87 121.76 124.09 1xug s ALA 132 Ca 0.49 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1xug s ALA 132 Cb -0.10 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1xug s ALA 132 CO 0.40 -1.22 0.00 0.41 0.00 0.00 0.00 175.76 175.36 1xug n GLY 133 N 0.66 3.18 3.75 0.00 0.00 0.63 -4.94 105.19 108.47 1xug n GLY 133 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1xug n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xug s THR 134 N -2.23 2.19 -0.11 2.61 2.01 -0.78 -4.64 115.64 114.69 1xug s THR 134 Ca 0.00 0.16 -0.18 0.00 0.31 0.00 0.00 61.69 61.98 1xug s THR 134 Cb 0.00 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1xug s THR 134 CO 0.00 0.03 0.47 -1.58 -0.69 0.00 0.00 174.62 172.85 1xug s GLN 135 N -0.46 4.31 0.28 4.92 0.74 -1.26 -1.14 119.66 127.05 1xug s GLN 135 Ca 0.63 0.44 0.06 0.00 0.05 0.00 0.00 55.36 56.54 1xug s GLN 135 Cb -0.47 -3.42 -0.06 0.00 1.10 0.00 0.00 33.01 30.17 1xug s GLN 135 CO 0.47 0.21 -0.03 0.00 -0.55 0.00 0.00 175.29 175.38 1xug s LEU 137 N -3.44 2.68 -0.02 0.00 2.96 0.33 -0.75 118.68 120.45 1xug s LEU 137 Ca 0.31 -0.40 0.07 0.00 -0.22 0.00 0.00 54.13 53.88 1xug s LEU 137 Cb 0.05 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 1xug s LEU 137 CO 0.12 0.08 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.38 1xug s ILE 138 N 0.87 2.39 0.16 6.68 1.01 -0.10 -1.37 121.20 130.84 1xug s ILE 138 Ca -0.03 -1.02 -0.06 0.00 0.00 0.00 0.00 60.65 59.54 1xug s ILE 138 Cb -0.15 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 1xug s ILE 138 CO 0.00 0.56 0.21 -0.94 0.00 0.00 0.00 174.94 174.77 1xug s SER 139 N -0.72 0.13 0.00 3.58 1.04 -1.24 -0.87 113.70 115.62 1xug s SER 139 Ca 0.11 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1xug s SER 139 Cb -0.10 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1xug s SER 139 CO -0.00 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1xug n GLY 140 N -0.18 1.65 1.58 7.32 0.00 -0.48 -4.54 105.19 110.54 1xug n GLY 140 Ca -0.06 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 1xug n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xug n TRP 141 N -1.04 1.86 -1.81 1.61 8.01 -1.26 -2.30 117.44 122.50 1xug n TRP 141 Ca 0.00 -1.63 -0.26 0.00 -1.31 0.00 0.00 57.50 54.29 1xug n TRP 141 Cb 0.00 -0.66 0.19 0.00 -2.01 0.00 0.00 31.31 28.83 1xug n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xug n GLY 142 N -1.04 -1.50 3.61 6.99 0.00 -1.25 -4.36 105.19 107.64 1xug n GLY 142 Ca 0.42 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 1xug n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xug n ASN 143 N -3.79 1.10 -0.37 1.61 5.15 0.03 -2.93 115.26 116.07 1xug n ASN 143 Ca 0.15 0.96 0.04 0.00 -0.60 0.00 0.00 54.58 55.13 1xug n ASN 143 Cb 0.52 -1.36 0.07 0.00 -0.53 0.00 0.00 39.78 38.48 1xug n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1xug n THR 144 N -0.86 0.55 -5.21 -0.44 -2.24 -0.55 0.13 114.28 105.66 1xug n THR 144 Ca 0.10 -0.77 -0.32 0.00 -2.27 0.00 0.00 64.05 60.79 1xug n THR 144 Cb 0.42 0.80 -0.16 0.00 -2.10 0.00 0.00 70.33 69.29 1xug n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xug s LYS 145 N -0.83 2.40 0.01 -0.78 1.02 -1.26 -4.52 119.74 115.78 1xug s LYS 145 Ca 0.12 -0.87 -0.04 0.00 0.02 0.00 0.00 55.97 55.20 1xug s LYS 145 Cb 0.07 -2.17 -0.28 0.00 -0.52 0.00 0.00 37.83 34.93 1xug s LYS 145 CO 0.10 0.48 0.89 0.66 -0.92 0.00 0.00 175.35 176.56 1xug h SER 146 N 5.75 0.42 -3.78 2.83 4.64 -1.94 -3.40 113.55 118.07 1xug h SER 146 Ca -0.38 -0.56 -0.68 0.00 -0.47 0.00 0.00 61.79 59.70 1xug h SER 146 Cb 1.15 -0.14 -0.37 0.00 -0.31 0.00 0.00 62.40 62.74 1xug h SER 146 CO 0.48 1.46 -0.57 -0.44 -0.87 0.00 0.00 176.83 176.89 1xug s SER 147 N -7.03 5.01 0.00 4.97 0.01 -1.26 -4.64 113.70 110.76 1xug s SER 147 Ca -0.09 -2.35 0.00 0.00 1.31 0.00 0.00 55.95 54.82 1xug s SER 147 Cb 0.07 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.54 1xug s SER 147 CO 0.86 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 174.69 1xug n GLY 148 N 4.10 0.88 2.89 3.44 0.00 -1.26 -5.04 105.19 110.19 1xug n GLY 148 Ca 0.02 -2.27 -0.25 0.00 0.00 0.00 0.00 46.02 43.52 1xug n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xug s THR 149 N -1.07 0.82 -0.02 2.61 -4.23 -1.26 -4.45 115.64 108.04 1xug s THR 149 Ca 0.00 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 1xug s THR 149 Cb 0.00 -0.86 0.03 0.00 1.34 0.00 0.00 72.50 73.00 1xug s THR 149 CO 0.00 0.32 0.01 -0.55 -0.54 0.00 0.00 174.62 173.86 1xug s SER 150 N 1.54 0.31 -0.09 3.99 0.15 -1.26 -4.97 113.70 113.37 1xug s SER 150 Ca 0.01 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.67 1xug s SER 150 Cb -0.13 -0.17 -0.01 0.00 -1.71 0.00 0.00 66.02 64.00 1xug s SER 150 CO -0.05 -0.10 -0.18 -0.31 1.20 0.00 0.00 173.24 173.80 1xug s TYR 151 N 0.94 2.65 0.70 3.44 1.51 -1.26 -1.48 117.35 123.85 1xug s TYR 151 Ca -0.09 -0.67 -0.10 0.00 -1.01 0.00 0.00 57.07 55.21 1xug s TYR 151 Cb -0.12 -1.72 0.03 0.00 -0.11 0.00 0.00 41.96 40.04 1xug s TYR 151 CO -0.02 -0.19 1.06 -1.25 -1.11 0.00 0.00 175.55 174.04 1xug s PRO 152 N 0.04 2.60 -0.20 -1.71 0.04 -1.26 -5.00 135.00 129.51 1xug s PRO 152 Ca -0.07 0.19 -0.00 0.00 0.04 0.00 0.00 61.00 61.16 1xug s PRO 152 Cb -0.15 -2.08 -0.21 0.00 0.04 0.00 0.00 34.50 32.10 1xug s PRO 152 CO 0.05 -1.10 0.04 -0.25 0.04 0.00 0.00 177.00 175.78 1xug n ASP 153 N -2.96 1.92 -4.83 6.66 8.00 -1.26 -4.91 116.55 119.16 1xug n ASP 153 Ca 0.07 0.02 -0.22 0.00 0.71 0.00 0.00 54.79 55.37 1xug n ASP 153 Cb 0.58 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 41.13 1xug n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1xug s VAL 154 N -2.54 4.45 0.24 2.53 -7.23 -1.26 -1.31 120.40 115.28 1xug s VAL 154 Ca -0.28 -1.38 -0.31 0.00 -1.81 0.00 0.00 61.98 58.20 1xug s VAL 154 Cb 0.08 -3.42 -0.11 0.00 0.56 0.00 0.00 36.38 33.50 1xug s VAL 154 CO 0.68 -0.34 1.56 -0.22 -0.31 0.00 0.00 175.10 176.47 1xug s LEU 155 N -3.86 4.36 0.08 1.32 2.96 -1.19 -4.86 118.68 117.50 1xug s LEU 155 Ca 0.33 2.79 0.05 0.00 -0.22 0.00 0.00 54.13 57.09 1xug s LEU 155 Cb -0.08 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1xug s LEU 155 CO 0.25 -0.85 -0.05 -0.54 -1.32 0.00 0.00 176.35 173.84 1xug s LYS 156 N 0.10 2.38 0.10 1.98 -0.14 -0.97 -1.93 119.74 121.25 1xug s LYS 156 Ca 0.65 -0.89 0.07 0.00 -1.36 0.00 0.00 55.97 54.44 1xug s LYS 156 Cb -0.46 -2.44 -0.03 0.00 -1.68 0.00 0.00 37.83 33.22 1xug s LYS 156 CO 0.41 0.54 -0.18 0.00 -0.76 0.00 0.00 175.35 175.36 1xug s LEU 158 N -1.98 0.89 -0.18 0.00 2.96 -0.05 -0.28 118.68 120.03 1xug s LEU 158 Ca 0.05 0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 54.35 1xug s LEU 158 Cb -0.09 0.74 -0.04 0.00 0.50 0.00 0.00 46.19 47.30 1xug s LEU 158 CO 0.04 -0.11 0.07 -0.54 -1.32 0.00 0.00 176.35 174.49 1xug s LYS 159 N 0.54 4.00 -0.01 1.98 -0.14 -1.26 -0.92 119.74 123.92 1xug s LYS 159 Ca -0.03 -0.33 -0.11 0.00 -1.36 0.00 0.00 55.97 54.14 1xug s LYS 159 Cb -0.05 -3.23 0.01 0.00 -1.68 0.00 0.00 37.83 32.88 1xug s LYS 159 CO -0.03 0.28 0.22 0.00 -0.76 0.00 0.00 175.35 175.07 1xug s ALA 160 N 0.35 -0.56 0.31 5.17 0.00 0.07 -4.94 121.76 122.16 1xug s ALA 160 Ca 0.04 0.12 -0.06 0.00 0.00 0.00 0.00 51.96 52.06 1xug s ALA 160 Cb -0.12 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 1xug s ALA 160 CO -0.00 -0.23 0.59 -1.25 0.00 0.00 0.00 175.76 174.87 1xug s PRO 161 N -1.30 3.66 0.07 0.00 0.04 -1.26 -0.08 135.00 136.14 1xug s PRO 161 Ca -0.14 0.09 -0.30 0.00 0.04 0.00 0.00 61.00 60.70 1xug s PRO 161 Cb -0.06 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.82 1xug s PRO 161 CO 0.03 0.18 0.98 0.42 0.04 0.00 0.00 177.00 178.65 1xug s ILE 162 N -2.12 4.58 0.60 0.56 1.01 -0.29 -1.37 121.20 124.17 1xug s ILE 162 Ca 0.45 2.03 -0.01 0.00 0.00 0.00 0.00 60.65 63.11 1xug s ILE 162 Cb -0.11 -4.30 0.04 0.00 0.01 0.00 0.00 42.46 38.11 1xug s ILE 162 CO 0.30 0.25 0.86 -0.76 0.00 0.00 0.00 174.94 175.59 1xug s LEU 163 N 0.36 3.12 0.53 2.97 1.43 0.29 -0.27 118.68 127.11 1xug s LEU 163 Ca 0.49 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.56 1xug s LEU 163 Cb -0.23 -2.93 -0.07 0.00 0.03 0.00 0.00 46.19 42.99 1xug s LEU 163 CO 0.29 -1.31 1.00 -0.94 0.23 0.00 0.00 176.35 175.63 1xug s SER 164 N -4.46 6.47 0.38 2.29 1.04 -1.26 -4.66 113.70 113.50 1xug s SER 164 Ca 0.58 1.62 0.05 0.00 0.48 0.00 0.00 55.95 58.68 1xug s SER 164 Cb -0.10 -2.51 0.75 0.00 0.10 0.00 0.00 66.02 64.26 1xug s SER 164 CO 0.41 -0.69 2.02 -0.78 0.98 0.00 0.00 173.24 175.18 1xug h ASP 165 N 0.85 0.57 -0.60 7.02 3.58 -1.97 -1.64 116.42 124.23 1xug h ASP 165 Ca -0.47 -0.02 -0.09 0.00 0.42 0.00 0.00 57.03 56.86 1xug h ASP 165 Cb 1.19 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.08 1xug h ASP 165 CO 0.61 0.43 0.01 0.28 -2.88 0.00 0.00 179.24 177.69 1xug h SER 166 N 0.66 1.04 -0.21 2.28 0.02 -1.98 -0.49 113.55 114.87 1xug h SER 166 Ca 0.18 -0.29 -0.13 0.00 -0.84 0.00 0.00 61.79 60.71 1xug h SER 166 Cb -0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1xug h SER 166 CO -0.03 1.08 -0.31 0.28 -1.14 0.00 0.00 176.83 176.70 1xug h SER 167 N 0.97 0.74 0.03 3.07 0.02 -1.77 -0.18 113.55 116.44 1xug h SER 167 Ca 0.17 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1xug h SER 167 Cb 0.55 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1xug h SER 167 CO 0.03 1.00 -0.02 0.00 -1.14 0.00 0.00 176.83 176.70 1xug h LYS 169 N -0.22 0.00 0.00 0.00 1.57 -1.02 -1.44 116.57 115.46 1xug h LYS 169 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1xug h LYS 169 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1xug h LYS 169 CO 0.01 0.33 -0.44 1.03 -0.57 0.00 0.00 179.45 179.81 1xug h SER 170 N 0.00 0.00 0.51 0.86 0.87 -0.84 -1.65 113.55 113.30 1xug h SER 170 Ca -0.00 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.27 1xug h SER 170 Cb 0.61 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1xug h SER 170 CO 0.04 0.44 -1.26 0.00 -0.53 0.00 0.00 176.83 175.52 1xug h ALA 171 N 1.56 0.06 -2.16 6.23 0.00 -0.49 -3.38 119.26 121.08 1xug h ALA 171 Ca -0.00 -0.86 -0.57 0.00 0.00 0.00 0.00 54.91 53.48 1xug h ALA 171 Cb 1.04 0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.46 1xug h ALA 171 CO 0.06 0.89 -0.80 0.66 0.00 0.00 0.00 179.25 180.06 1xug n TYR 172 N -3.60 2.51 -1.67 0.00 4.01 -0.64 -4.95 117.16 112.82 1xug n TYR 172 Ca -0.10 -3.95 -0.45 0.00 -0.16 0.00 0.00 57.90 53.24 1xug n TYR 172 Cb 1.02 -0.48 -0.03 0.00 -0.31 0.00 0.00 39.34 39.54 1xug n TYR 172 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1xug n PRO 173 N 0.51 2.01 -0.86 -0.72 -0.04 -0.63 -2.01 135.00 133.27 1xug n PRO 173 Ca 0.28 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 1xug n PRO 173 Cb 0.47 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1xug n PRO 173 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xug n GLY 174 N 2.37 0.32 0.18 0.55 0.00 -1.26 -4.82 105.19 102.54 1xug n GLY 174 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1xug n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xug n GLN 175 N -1.35 0.07 -3.94 1.61 6.02 -0.85 -4.99 117.38 113.96 1xug n GLN 175 Ca 0.00 -0.89 -0.35 0.00 -0.01 0.00 0.00 57.00 55.75 1xug n GLN 175 Cb 0.14 -1.09 -0.11 0.00 1.02 0.00 0.00 30.24 30.21 1xug n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xug s ILE 176 N -0.45 4.69 0.53 5.09 -1.09 -1.25 -5.04 121.20 123.68 1xug s ILE 176 Ca 0.06 -0.06 0.07 0.00 -2.23 0.00 0.00 60.65 58.48 1xug s ILE 176 Cb 0.04 -3.14 0.04 0.00 -1.58 0.00 0.00 42.46 37.82 1xug s ILE 176 CO 0.06 0.42 0.47 0.42 -1.23 0.00 0.00 174.94 175.07 1xug s THR 177 N 0.74 1.87 -0.86 2.92 -4.23 -1.26 -4.98 115.64 109.84 1xug s THR 177 Ca 0.04 -1.39 0.16 0.00 -1.18 0.00 0.00 61.69 59.31 1xug s THR 177 Cb -0.13 -2.26 0.14 0.00 1.34 0.00 0.00 72.50 71.59 1xug s THR 177 CO 0.02 0.00 1.49 -1.54 -0.54 0.00 0.00 174.62 174.05 1xug n SER 178 N -1.82 0.17 -1.49 3.99 3.41 -1.26 -2.13 113.62 114.50 1xug n SER 178 Ca 0.02 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.25 1xug n SER 178 Cb 0.63 -0.58 0.32 0.00 -0.26 0.00 0.00 64.21 64.32 1xug n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xug n ASN 179 N -1.69 4.40 -4.16 4.04 3.02 -1.26 -4.91 115.26 114.69 1xug n ASN 179 Ca 0.03 -2.48 -0.12 0.00 -0.03 0.00 0.00 54.58 51.97 1xug n ASN 179 Cb 0.17 -0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 38.67 1xug n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1xug s MET 180 N -1.97 0.81 0.09 3.52 -1.94 -0.90 -1.10 119.30 117.81 1xug s MET 180 Ca 0.45 -1.23 -0.13 0.00 -1.71 0.00 0.00 55.69 53.07 1xug s MET 180 Cb 0.30 -0.33 0.02 0.00 2.01 0.00 0.00 34.83 36.84 1xug s MET 180 CO 0.20 0.02 0.31 -0.59 -0.01 0.00 0.00 175.02 174.95 1xug s PHE 181 N -3.02 -0.08 0.06 -0.03 -0.12 -0.73 -4.79 117.98 109.28 1xug s PHE 181 Ca 0.08 -0.21 0.04 0.00 -0.05 0.00 0.00 56.93 56.79 1xug s PHE 181 Cb 0.01 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 1xug s PHE 181 CO -0.02 -0.59 0.01 0.00 -0.05 0.00 0.00 175.22 174.56 1xug s ALA 183 N -1.26 -0.59 0.00 0.00 0.00 -0.84 -0.55 121.76 118.52 1xug s ALA 183 Ca 0.24 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1xug s ALA 183 Cb -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1xug s ALA 183 CO 0.17 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1xug n GLY 184 N 1.65 0.73 2.95 0.00 0.00 -0.47 -2.50 105.19 107.55 1xug n GLY 184 Ca -0.20 -1.82 -0.26 0.00 0.00 0.00 0.00 46.02 43.74 1xug n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xug s TYR 184 N -2.72 1.42 -0.58 1.61 2.02 -1.26 -4.40 117.35 113.44 1xug s TYR 184 Ca 0.00 -0.63 0.25 0.00 -0.37 0.00 0.00 57.07 56.32 1xug s TYR 184 Cb 0.00 -1.13 0.92 0.00 -0.40 0.00 0.00 41.96 41.34 1xug s TYR 184 CO 0.00 -0.40 1.74 1.28 -1.57 0.00 0.00 175.55 176.60 1xug n LEU 185 N 4.47 0.73 0.01 -1.29 4.77 -1.26 -2.39 117.00 122.03 1xug n LEU 185 Ca -0.17 0.63 0.14 0.00 -0.03 0.00 0.00 56.01 56.58 1xug n LEU 185 Cb 0.51 -0.47 0.57 0.00 -2.33 0.00 0.00 43.42 41.69 1xug n LEU 185 CO 0.20 -0.41 0.91 -1.84 -1.33 0.00 0.00 177.39 174.92 1xug n GLU 186 N -2.25 0.03 0.00 3.23 0.00 -1.26 -0.33 120.64 120.06 1xug n GLU 186 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.22 1xug n GLU 186 Cb 0.31 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 30.22 1xug n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xug n GLY 187 N 1.48 -0.78 2.25 -1.84 0.00 -1.01 -4.54 105.19 100.75 1xug n GLY 187 Ca 0.07 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1xug n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xug n GLY 188 N -0.75 2.92 2.80 -0.02 0.00 -0.31 -4.95 105.19 104.87 1xug n GLY 188 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1xug n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xug s LYS 188 N -0.41 -0.00 0.04 1.61 1.02 -1.26 -3.68 119.74 117.05 1xug s LYS 188 Ca 0.00 0.34 -0.28 0.00 0.02 0.00 0.00 55.97 56.06 1xug s LYS 188 Cb 0.00 -0.30 0.10 0.00 -0.52 0.00 0.00 37.83 37.11 1xug s LYS 188 CO 0.00 -0.23 1.21 0.34 -0.92 0.00 0.00 175.35 175.75 1xug s ASP 189 N 1.57 -0.03 0.55 2.83 2.15 -0.54 -4.33 116.67 118.87 1xug s ASP 189 Ca -0.04 -0.29 0.03 0.00 0.43 0.00 0.00 52.55 52.68 1xug s ASP 189 Cb -0.12 0.25 0.05 0.00 -0.30 0.00 0.00 42.92 42.79 1xug s ASP 189 CO -0.04 -0.48 0.77 -0.94 -0.17 0.00 0.00 175.17 174.30 1xug s SER 190 N -3.39 5.20 0.32 -0.34 1.04 -1.26 -0.72 113.70 114.56 1xug s SER 190 Ca 0.21 -0.21 -0.09 0.00 0.48 0.00 0.00 55.95 56.35 1xug s SER 190 Cb 0.01 -0.62 0.03 0.00 0.10 0.00 0.00 66.02 65.55 1xug s SER 190 CO -0.00 -1.19 0.58 0.00 0.98 0.00 0.00 173.24 173.61 1xug n GLN 192 N -0.47 1.07 0.00 0.00 3.00 -1.26 -1.26 117.38 118.46 1xug n GLN 192 Ca -0.05 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 1xug n GLN 192 Cb 0.50 -1.90 0.00 0.00 0.00 0.00 0.00 30.24 28.85 1xug n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xug n GLY 193 N 2.09 2.56 0.12 1.08 0.00 -1.26 -0.79 105.19 108.98 1xug n GLY 193 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1xug n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xug h ASP 194 N 0.35 0.00 -1.05 1.61 3.32 -1.49 -3.33 116.42 115.83 1xug h ASP 194 Ca 0.00 -0.08 -0.75 0.00 0.02 0.00 0.00 57.03 56.22 1xug h ASP 194 Cb 0.00 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.62 1xug h ASP 194 CO 0.00 0.04 -0.09 -1.20 -1.72 0.00 0.00 179.24 176.27 1xug n SER 195 N -2.51 -0.26 0.00 6.45 7.64 -1.25 -1.04 113.62 122.65 1xug n SER 195 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1xug n SER 195 Cb 0.49 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1xug n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xug n GLY 196 N 1.68 2.70 3.94 0.23 0.00 -0.19 -0.63 105.19 112.91 1xug n GLY 196 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1xug n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xug s GLY 197 N -1.82 1.76 0.39 -0.02 0.00 -0.21 -3.35 107.32 104.08 1xug s GLY 197 Ca 0.00 -1.27 -0.17 0.00 0.00 0.00 0.00 44.72 43.29 1xug s GLY 197 CO 0.00 -0.57 0.84 2.56 0.00 0.00 0.00 173.10 175.93 1xug s PRO 198 N -5.69 4.05 -0.24 2.90 0.04 -1.26 -1.27 135.00 133.52 1xug s PRO 198 Ca 0.71 0.83 -0.02 0.00 0.04 0.00 0.00 61.00 62.57 1xug s PRO 198 Cb -0.05 -2.31 0.08 0.00 0.04 0.00 0.00 34.50 32.26 1xug s PRO 198 CO 0.51 0.02 0.06 0.08 0.04 0.00 0.00 177.00 177.71 1xug s VAL 199 N -2.17 0.67 -0.14 -0.36 1.01 -0.74 -3.63 120.40 115.04 1xug s VAL 199 Ca 0.57 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1xug s VAL 199 Cb -0.10 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1xug s VAL 199 CO 0.19 -0.41 -0.09 -0.69 0.00 0.00 0.00 175.10 174.10 1xug s VAL 200 N 1.76 3.35 -0.07 2.92 1.01 -0.47 -1.13 120.40 127.78 1xug s VAL 200 Ca 0.03 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1xug s VAL 200 Cb -0.17 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.79 1xug s VAL 200 CO -0.16 0.51 -0.10 0.00 0.00 0.00 0.00 175.10 175.35 1xug n SER 202 N 4.03 -0.08 -0.43 0.00 7.64 -1.26 -0.98 113.62 122.53 1xug n SER 202 Ca -0.22 -1.10 -0.06 0.00 1.01 0.00 0.00 58.87 58.51 1xug n SER 202 Cb 0.51 -2.52 -0.02 0.00 -1.01 0.00 0.00 64.21 61.17 1xug n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xug n GLY 203 N -2.14 0.68 3.32 0.23 0.00 -1.26 -4.99 105.19 101.03 1xug n GLY 203 Ca -0.29 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 1xug n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xug s LYS 204 N -2.07 1.39 -0.57 1.61 -0.14 -0.15 -4.12 119.74 115.68 1xug s LYS 204 Ca 0.00 -1.15 -0.28 0.00 -1.36 0.00 0.00 55.97 53.19 1xug s LYS 204 Cb 0.00 -1.66 0.03 0.00 -1.68 0.00 0.00 37.83 34.52 1xug s LYS 204 CO 0.00 0.41 1.16 -1.17 -0.76 0.00 0.00 175.35 174.98 1xug s LEU 209 N -1.64 3.54 -0.08 3.17 2.96 -0.05 -1.06 118.68 125.52 1xug s LEU 209 Ca 0.10 0.07 0.17 0.00 -0.22 0.00 0.00 54.13 54.25 1xug s LEU 209 Cb -0.10 -3.15 -0.25 0.00 0.50 0.00 0.00 46.19 43.19 1xug s LEU 209 CO 0.04 -1.44 0.27 0.00 -1.32 0.00 0.00 176.35 173.90 1xug n GLN 210 N 8.29 0.81 -4.04 1.98 1.13 -0.28 -4.07 117.38 121.18 1xug n GLN 210 Ca 0.08 -0.11 -0.10 0.00 -1.94 0.00 0.00 57.00 54.93 1xug n GLN 210 Cb 0.49 -1.43 -0.08 0.00 0.11 0.00 0.00 30.24 29.33 1xug n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1xug s GLY 211 N -4.46 0.75 -0.04 1.08 0.00 -0.81 -1.92 107.32 101.91 1xug s GLY 211 Ca -0.07 -1.14 0.05 0.00 0.00 0.00 0.00 44.72 43.55 1xug s GLY 211 CO 0.73 -1.02 -0.18 -0.42 0.00 0.00 0.00 173.10 172.21 1xug s ILE 212 N -4.02 1.50 0.00 0.90 1.01 -1.05 -1.79 121.20 117.75 1xug s ILE 212 Ca 0.23 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 1xug s ILE 212 Cb 0.04 -1.28 -0.07 0.00 0.01 0.00 0.00 42.46 41.16 1xug s ILE 212 CO 0.03 0.43 1.77 -0.69 0.00 0.00 0.00 174.94 176.48 1xug s VAL 213 N -0.03 3.27 0.00 2.92 1.01 -0.40 -1.42 120.40 125.75 1xug s VAL 213 Ca -0.03 0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.37 1xug s VAL 213 Cb -0.11 -3.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 1xug s VAL 213 CO 0.02 -0.03 -0.00 -0.24 0.00 0.00 0.00 175.10 174.85 1xug n SER 214 N 6.98 0.06 -1.44 3.32 2.88 -1.10 -1.03 113.62 123.30 1xug n SER 214 Ca 0.18 0.01 -0.03 0.00 -1.33 0.00 0.00 58.87 57.70 1xug n SER 214 Cb 0.42 -0.05 -0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1xug n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1xug n TRP 215 N -2.56 -0.89 0.00 0.66 4.27 -0.82 -4.94 117.44 113.17 1xug n TRP 215 Ca -0.00 -0.49 0.00 0.00 -3.89 0.00 0.00 57.50 53.12 1xug n TRP 215 Cb 0.00 0.15 0.00 0.00 -1.36 0.00 0.00 31.31 30.11 1xug n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1xug n GLY 216 N -0.13 1.89 3.48 -1.67 0.00 -1.26 -0.64 105.19 106.86 1xug n GLY 216 Ca -0.01 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 1xug n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xug s SER 217 N 0.00 6.27 0.58 1.61 0.15 -1.26 -4.88 113.70 116.17 1xug s SER 217 Ca 0.00 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1xug s SER 217 Cb 0.00 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1xug s SER 217 CO 0.00 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.20 1xug n GLY 219 N 5.11 0.25 2.88 9.45 0.00 -1.26 -4.55 105.19 117.07 1xug n GLY 219 Ca -0.04 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1xug n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xug n ALA 221 N 3.96 -0.72 -2.09 0.00 0.00 -1.26 -4.57 120.51 115.83 1xug n ALA 221 Ca -0.24 0.16 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 1xug n ALA 221 Cb 0.53 -2.15 -0.06 0.00 0.00 0.00 0.00 19.45 17.77 1xug n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xug s GLN 221 N -5.13 4.05 0.50 0.00 -1.52 -1.26 -1.16 119.66 115.13 1xug s GLN 221 Ca 0.04 0.75 -0.23 0.00 -1.95 0.00 0.00 55.36 53.96 1xug s GLN 221 Cb -0.02 -2.42 -0.07 0.00 -0.22 0.00 0.00 33.01 30.29 1xug s GLN 221 CO 0.05 0.14 1.38 1.17 -0.25 0.00 0.00 175.29 177.78 1xug n LYS 222 N -0.35 1.95 -1.06 2.91 4.81 -1.26 -2.43 118.16 122.72 1xug n LYS 222 Ca 0.04 0.70 -0.07 0.00 -0.87 0.00 0.00 58.31 58.11 1xug n LYS 222 Cb 0.53 -2.58 -0.03 0.00 0.02 0.00 0.00 35.03 32.97 1xug n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xug n ASN 223 N -0.56 -3.68 -3.52 3.14 5.03 0.55 -4.86 115.26 111.36 1xug n ASN 223 Ca 0.08 0.19 -0.27 0.00 0.87 0.00 0.00 54.58 55.45 1xug n ASN 223 Cb 0.43 -2.91 -0.10 0.00 -1.02 0.00 0.00 39.78 36.18 1xug n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1xug n LYS 224 N -0.77 1.20 -0.82 3.52 4.76 -1.02 -4.78 118.16 120.26 1xug n LYS 224 Ca -0.07 -3.85 -0.28 0.00 -2.87 0.00 0.00 58.31 51.23 1xug n LYS 224 Cb 0.39 -1.88 0.23 0.00 -1.84 0.00 0.00 35.03 31.92 1xug n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1xug s PRO 225 N -1.09 -0.54 0.40 1.97 0.04 -1.26 -4.34 135.00 130.18 1xug s PRO 225 Ca 0.32 0.61 -0.16 0.00 0.04 0.00 0.00 61.00 61.81 1xug s PRO 225 Cb 0.06 -1.62 -0.09 0.00 0.04 0.00 0.00 34.50 32.89 1xug s PRO 225 CO -0.14 -3.41 0.85 0.20 0.04 0.00 0.00 177.00 174.54 1xug s GLY 226 N -2.98 2.25 -0.05 0.56 0.00 -1.04 -4.59 107.32 101.47 1xug s GLY 226 Ca 0.67 0.14 0.04 0.00 0.00 0.00 0.00 44.72 45.58 1xug s GLY 226 CO 0.61 0.38 -0.15 0.14 0.00 0.00 0.00 173.10 174.08 1xug s VAL 227 N -2.21 2.96 0.12 1.40 1.01 0.18 -1.99 120.40 121.87 1xug s VAL 227 Ca 0.57 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1xug s VAL 227 Cb -0.10 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1xug s VAL 227 CO 0.20 0.59 -0.16 -0.31 0.00 0.00 0.00 175.10 175.42 1xug s TYR 228 N -0.69 1.55 0.10 5.22 1.51 0.18 -1.94 117.35 123.28 1xug s TYR 228 Ca 0.11 -0.50 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 1xug s TYR 228 Cb -0.11 -0.81 -0.06 0.00 -0.11 0.00 0.00 41.96 40.87 1xug s TYR 228 CO 0.00 0.19 1.01 0.99 -1.11 0.00 0.00 175.55 176.64 1xug s THR 229 N -1.86 4.40 -1.03 -0.71 2.01 -0.51 -1.78 115.64 116.17 1xug s THR 229 Ca 0.09 1.93 -0.20 0.00 0.31 0.00 0.00 61.69 63.82 1xug s THR 229 Cb -0.07 -4.23 0.10 0.00 0.01 0.00 0.00 72.50 68.31 1xug s THR 229 CO 0.04 0.27 1.34 -0.75 -0.69 0.00 0.00 174.62 174.83 1xug s LYS 230 N 0.19 3.69 0.41 4.92 2.20 -0.25 -2.52 119.74 128.37 1xug s LYS 230 Ca 0.49 -1.63 0.15 0.00 -0.36 0.00 0.00 55.97 54.61 1xug s LYS 230 Cb -0.25 -5.16 1.01 0.00 -1.51 0.00 0.00 37.83 31.92 1xug s LYS 230 CO 0.30 -1.99 1.90 0.28 -0.36 0.00 0.00 175.35 175.49 1xug h VAL 231 N 6.04 0.78 -0.14 4.02 2.07 -1.70 -2.03 116.25 125.30 1xug h VAL 231 Ca 0.22 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.62 1xug h VAL 231 Cb 0.99 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1xug h VAL 231 CO 1.28 0.09 0.22 0.00 0.02 0.00 0.00 177.57 179.18 1xug n ASN 233 N -3.51 0.67 -0.44 0.00 3.02 -0.76 -3.76 115.26 110.49 1xug n ASN 233 Ca 0.01 0.58 0.04 0.00 -0.03 0.00 0.00 54.58 55.17 1xug n ASN 233 Cb 0.32 -0.75 0.11 0.00 -0.61 0.00 0.00 39.78 38.85 1xug n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1xug n TYR 234 N -2.15 0.32 -0.18 3.10 4.01 0.42 -4.79 117.16 117.90 1xug n TYR 234 Ca 0.05 -0.51 -0.07 0.00 -0.16 0.00 0.00 57.90 57.20 1xug n TYR 234 Cb 0.38 -0.04 0.02 0.00 -0.31 0.00 0.00 39.34 39.39 1xug n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1xug h VAL 235 N 1.36 1.18 -0.57 -0.72 2.07 -1.63 -0.06 116.25 117.88 1xug h VAL 235 Ca 0.00 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1xug h VAL 235 Cb 0.68 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1xug h VAL 235 CO 0.01 0.19 0.04 0.77 0.02 0.00 0.00 177.57 178.60 1xug h SER 236 N 0.70 0.95 -0.28 0.57 4.64 -1.88 -0.59 113.55 117.67 1xug h SER 236 Ca 0.18 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1xug h SER 236 Cb 0.06 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1xug h SER 236 CO -0.03 1.01 0.18 -0.25 -0.87 0.00 0.00 176.83 176.87 1xug h TRP 237 N 0.87 0.36 0.01 4.77 7.01 -1.82 0.25 115.95 127.41 1xug h TRP 237 Ca 0.17 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.18 1xug h TRP 237 Cb 0.49 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 1xug h TRP 237 CO 0.04 0.24 -0.03 0.82 -2.79 0.00 0.00 178.44 176.72 1xug h ILE 238 N 0.37 0.93 -0.66 2.65 2.04 -0.77 -0.59 117.51 121.48 1xug h ILE 238 Ca 0.10 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1xug h ILE 238 Cb -0.02 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1xug h ILE 238 CO -0.02 0.00 0.43 0.11 0.00 0.00 0.00 178.15 178.67 1xug h LYS 239 N -0.05 0.85 -0.40 2.37 1.57 -0.81 -1.28 116.57 118.82 1xug h LYS 239 Ca 0.01 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1xug h LYS 239 Cb 0.06 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1xug h LYS 239 CO -0.02 0.57 -0.13 1.96 -0.57 0.00 0.00 179.45 181.25 1xug h GLN 240 N 0.88 0.80 0.03 3.15 4.20 -0.77 -1.35 115.11 122.05 1xug h GLN 240 Ca 0.25 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1xug h GLN 240 Cb -0.08 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1xug h GLN 240 CO -0.06 0.94 -0.02 1.15 -0.67 0.00 0.00 178.83 180.17 1xug h THR 241 N 0.61 1.06 -0.76 -0.54 2.02 -0.92 -2.04 112.91 112.33 1xug h THR 241 Ca 0.10 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1xug h THR 241 Cb 0.67 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 1xug h THR 241 CO 0.05 0.07 0.48 0.40 0.37 0.00 0.00 175.52 176.89 1xug h ILE 242 N -0.17 1.20 0.00 3.11 2.04 -1.22 -1.62 117.51 120.86 1xug h ILE 242 Ca -0.00 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 1xug h ILE 242 Cb 0.15 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1xug h ILE 242 CO 0.01 0.21 -0.29 0.00 0.00 0.00 0.00 178.15 178.08 1xug h ALA 243 N 1.49 1.36 -0.61 1.87 0.00 -0.98 -2.80 119.26 119.60 1xug h ALA 243 Ca 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xug h ALA 243 Cb -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xug h ALA 243 CO -0.06 0.36 0.00 0.43 0.00 0.00 0.00 179.25 179.98 1xug n SER 244 N -3.96 3.61 0.00 0.00 7.64 -0.66 -5.09 113.62 115.17 1xug n SER 244 Ca -0.02 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.87 1xug n SER 244 Cb 0.36 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1xug n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62