#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugg s HIS 4 N 0.00 2.27 0.69 1.57 5.65 -1.26 -4.94 115.29 119.27 1ugg s HIS 4 Ca 0.00 1.41 -0.14 0.00 0.25 0.00 0.00 55.06 56.58 1ugg s HIS 4 Cb 0.00 -3.75 0.02 0.00 -1.18 0.00 0.00 32.58 27.67 1ugg s HIS 4 CO 0.00 -2.82 1.11 1.67 -0.65 0.00 0.00 174.74 174.05 1ugg s TRP 5 N -1.34 2.58 0.00 3.88 1.48 -1.26 -4.83 118.94 119.44 1ugg s TRP 5 Ca 0.74 1.56 0.00 0.00 -1.06 0.00 0.00 56.10 57.33 1ugg s TRP 5 Cb -0.39 -3.15 0.00 0.00 -1.16 0.00 0.00 33.47 28.77 1ugg s TRP 5 CO 0.45 -1.76 0.00 0.41 -4.06 0.00 0.00 176.95 171.99 1ugg n GLY 6 N -0.66 2.42 0.42 3.67 0.00 0.23 -5.00 105.19 106.28 1ugg n GLY 6 Ca 0.10 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.48 1ugg n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ugg n TYR 7 N 0.00 0.33 -1.86 1.61 4.01 -1.26 -3.50 117.16 116.49 1ugg n TYR 7 Ca 0.00 -0.55 -0.29 0.00 -0.16 0.00 0.00 57.90 56.90 1ugg n TYR 7 Cb 0.00 -0.06 0.10 0.00 -0.31 0.00 0.00 39.34 39.07 1ugg n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1ugg s GLY 8 N -1.14 1.59 0.48 2.72 0.00 -1.26 -4.61 107.32 105.10 1ugg s GLY 8 Ca 0.17 -0.65 0.21 0.00 0.00 0.00 0.00 44.72 44.45 1ugg s GLY 8 CO 0.10 -0.14 2.03 1.70 0.00 0.00 0.00 173.10 176.78 1ugg h LYS 9 N -1.12 0.00 0.00 2.90 1.63 -1.96 0.91 116.57 118.93 1ugg h LYS 9 Ca -0.46 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1ugg h LYS 9 Cb 1.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 1ugg h LYS 9 CO 0.65 0.16 -1.00 0.72 -3.45 0.00 0.00 179.45 176.53 1ugg n HIS 10 N -3.98 0.00 -0.79 1.91 8.25 -1.26 -4.53 115.22 114.81 1ugg n HIS 10 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1ugg n HIS 10 Cb 0.25 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1ugg n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1ugg n ASN 11 N -1.54 0.49 -3.09 0.41 6.94 -1.11 -4.71 115.26 112.65 1ugg n ASN 11 Ca 0.02 -1.28 -0.16 0.00 -0.02 0.00 0.00 54.58 53.14 1ugg n ASN 11 Cb 0.31 -0.01 0.11 0.00 -2.36 0.00 0.00 39.78 37.83 1ugg n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ugg n GLY 12 N -0.13 -1.18 0.17 4.83 0.00 0.31 -0.60 105.19 108.60 1ugg n GLY 12 Ca 0.00 -1.72 0.04 0.00 0.00 0.00 0.00 46.02 44.35 1ugg n GLY 12 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ugg n PRO 13 N -2.53 -0.04 0.00 1.61 -0.02 -1.25 0.21 135.00 132.98 1ugg n PRO 13 Ca 0.09 0.73 0.08 0.00 -2.02 0.00 0.00 63.50 62.39 1ugg n PRO 13 Cb 0.32 -1.12 0.41 0.00 -0.02 0.00 0.00 33.50 33.09 1ugg n PRO 13 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ugg n GLU 14 N -4.69 0.13 -0.01 -0.52 0.00 -1.26 -2.90 120.64 111.40 1ugg n GLU 14 Ca 0.09 0.16 0.07 0.00 0.00 0.00 0.00 57.16 57.48 1ugg n GLU 14 Cb 0.29 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.12 1ugg n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1ugg n HIS 15 N -1.39 0.00 -0.34 -1.84 8.25 0.13 -4.67 115.22 115.36 1ugg n HIS 15 Ca 0.06 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.68 1ugg n HIS 15 Cb 0.17 -0.26 0.38 0.00 1.12 0.00 0.00 29.99 31.40 1ugg n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1ugg h TRP 16 N 0.00 0.96 -0.35 4.41 6.55 -1.48 -2.45 115.95 123.60 1ugg h TRP 16 Ca 0.00 0.03 0.10 0.00 0.95 0.00 0.00 58.89 59.97 1ugg h TRP 16 Cb 0.58 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 28.58 1ugg h TRP 16 CO 0.00 0.16 0.33 1.12 -1.05 0.00 0.00 178.44 179.00 1ugg h HIS 17 N 0.64 0.00 -0.10 0.49 2.07 -1.80 0.65 115.15 117.11 1ugg h HIS 17 Ca 0.59 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 58.01 1ugg h HIS 17 Cb 1.09 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.06 1ugg h HIS 17 CO -0.00 0.00 -0.40 0.87 -3.07 0.00 0.00 177.93 175.33 1ugg h LYS 18 N 0.00 0.21 0.00 5.12 1.57 -1.79 -2.58 116.57 119.10 1ugg h LYS 18 Ca 0.17 -0.10 -0.30 0.00 -1.87 0.00 0.00 60.65 58.55 1ugg h LYS 18 Cb 0.83 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.08 1ugg h LYS 18 CO -0.00 0.58 -2.18 -0.25 -0.57 0.00 0.00 179.45 177.03 1ugg n ASP 19 N -4.04 0.19 -3.67 0.86 8.00 -0.31 -4.72 116.55 112.86 1ugg n ASP 19 Ca -0.01 0.09 -0.28 0.00 0.71 0.00 0.00 54.79 55.29 1ugg n ASP 19 Cb 0.47 0.89 -0.12 0.00 -0.02 0.00 0.00 41.12 42.34 1ugg n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ugg s PHE 20 N -2.65 2.30 0.57 1.24 0.08 0.07 -4.98 117.98 114.62 1ugg s PHE 20 Ca -0.08 -2.76 0.32 0.00 0.12 0.00 0.00 56.93 54.53 1ugg s PHE 20 Cb 0.07 -1.87 1.43 0.00 -0.57 0.00 0.00 43.02 42.09 1ugg s PHE 20 CO 0.84 -0.70 1.77 -1.35 -0.10 0.00 0.00 175.22 175.67 1ugg h PRO 21 N 5.81 0.00 0.00 0.24 0.11 -1.70 0.11 132.00 136.57 1ugg h PRO 21 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1ugg h PRO 21 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1ugg h PRO 21 CO 0.54 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.84 1ugg n ILE 22 N -3.86 1.38 0.30 4.15 3.06 -1.26 -1.94 119.36 121.19 1ugg n ILE 22 Ca 0.18 0.34 0.20 0.00 -2.50 0.00 0.00 62.75 60.97 1ugg n ILE 22 Cb 1.05 -1.24 0.99 0.00 0.54 0.00 0.00 39.64 40.99 1ugg n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ugg h ALA 23 N 2.24 1.00 -0.40 1.51 0.00 -1.09 0.39 119.26 122.91 1ugg h ALA 23 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1ugg h ALA 23 Cb 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1ugg h ALA 23 CO 0.00 0.00 0.04 1.63 0.00 0.00 0.00 179.25 180.92 1ugg n LYS 24 N -2.91 3.22 -0.35 0.00 4.76 -0.82 -4.96 118.16 117.11 1ugg n LYS 24 Ca -0.02 -2.98 -0.10 0.00 -2.87 0.00 0.00 58.31 52.34 1ugg n LYS 24 Cb 0.12 -1.97 0.09 0.00 -1.84 0.00 0.00 35.03 31.42 1ugg n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ugg n GLY 25 N -0.36 -2.62 0.10 0.72 0.00 0.14 -5.01 105.19 98.14 1ugg n GLY 25 Ca 0.27 -1.45 -0.01 0.00 0.00 0.00 0.00 46.02 44.83 1ugg n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ugg h GLU 26 N 0.00 0.00 -1.97 1.61 4.39 -1.96 -3.39 114.58 113.26 1ugg h GLU 26 Ca -0.14 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.02 1ugg h GLU 26 Cb 0.44 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.68 1ugg h GLU 26 CO 0.09 0.36 -0.85 2.89 -1.16 0.00 0.00 179.01 180.34 1ugg n ARG 27 N -2.96 2.49 -3.23 2.33 1.85 -1.26 -4.74 116.66 111.14 1ugg n ARG 27 Ca -0.09 -4.27 -0.35 0.00 -1.00 0.00 0.00 57.85 52.14 1ugg n ARG 27 Cb 0.85 -2.01 -0.06 0.00 -1.05 0.00 0.00 32.46 30.19 1ugg n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1ugg s GLN 28 N -3.18 4.07 0.20 2.89 -1.52 -1.26 -2.62 119.66 118.25 1ugg s GLN 28 Ca 0.44 0.65 0.11 0.00 -1.95 0.00 0.00 55.36 54.61 1ugg s GLN 28 Cb 0.33 -2.82 -0.04 0.00 -0.22 0.00 0.00 33.01 30.26 1ugg s GLN 28 CO -0.12 0.39 -0.22 -1.12 -0.25 0.00 0.00 175.29 173.97 1ugg s SER 29 N -1.82 3.28 0.89 5.90 0.01 -1.26 -4.70 113.70 116.00 1ugg s SER 29 Ca 0.43 -0.90 -0.09 0.00 1.31 0.00 0.00 55.95 56.69 1ugg s SER 29 Cb -0.15 -0.24 0.19 0.00 0.21 0.00 0.00 66.02 66.04 1ugg s SER 29 CO 0.20 0.07 1.20 -0.81 0.41 0.00 0.00 173.24 174.30 1ugg n PRO 30 N 0.08 -0.78 -4.26 12.44 -0.04 -1.26 -4.54 135.00 136.64 1ugg n PRO 30 Ca -0.11 -2.40 -0.14 0.00 -0.04 0.00 0.00 63.50 60.81 1ugg n PRO 30 Cb 0.57 -1.07 -0.10 0.00 -0.04 0.00 0.00 33.50 32.86 1ugg n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ugg s VAL 31 N -3.60 0.43 0.05 0.52 -7.23 -1.26 0.29 120.40 109.59 1ugg s VAL 31 Ca 0.73 -1.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.72 1ugg s VAL 31 Cb -0.03 -2.41 -0.06 0.00 0.56 0.00 0.00 36.38 34.44 1ugg s VAL 31 CO 0.50 -0.18 0.57 -0.62 -0.31 0.00 0.00 175.10 175.06 1ugg s ASP 32 N -3.22 7.03 -0.52 4.85 2.15 -1.26 -3.05 116.67 122.64 1ugg s ASP 32 Ca 0.33 1.22 -0.12 0.00 0.43 0.00 0.00 52.55 54.41 1ugg s ASP 32 Cb 0.07 -2.36 0.13 0.00 -0.30 0.00 0.00 42.92 40.47 1ugg s ASP 32 CO 0.09 0.23 0.43 -0.63 -0.17 0.00 0.00 175.17 175.12 1ugg s ILE 33 N -0.83 4.66 -0.46 4.11 1.01 0.16 -4.92 121.20 124.94 1ugg s ILE 33 Ca 0.29 -1.75 -0.29 0.00 0.00 0.00 0.00 60.65 58.90 1ugg s ILE 33 Cb -0.19 -4.02 0.02 0.00 0.01 0.00 0.00 42.46 38.27 1ugg s ILE 33 CO 0.18 -0.83 1.34 -0.62 0.00 0.00 0.00 174.94 175.01 1ugg s ASP 34 N 2.94 6.36 0.16 3.58 -1.08 -1.26 -0.03 116.67 127.35 1ugg s ASP 34 Ca 0.06 0.61 0.10 0.00 -0.52 0.00 0.00 52.55 52.79 1ugg s ASP 34 Cb -0.27 -2.54 0.55 0.00 -1.46 0.00 0.00 42.92 39.20 1ugg s ASP 34 CO 0.00 -1.45 1.28 0.35 0.52 0.00 0.00 175.17 175.87 1ugg n THR 35 N 6.98 1.38 -1.42 1.71 -2.24 -1.26 -2.21 114.28 117.22 1ugg n THR 35 Ca 0.14 0.62 0.07 0.00 -2.27 0.00 0.00 64.05 62.62 1ugg n THR 35 Cb 0.49 -1.62 0.17 0.00 -2.10 0.00 0.00 70.33 67.26 1ugg n THR 35 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ugg n HIS 36 N -1.84 0.00 0.00 4.78 8.25 -1.26 -4.40 115.22 120.75 1ugg n HIS 36 Ca -0.01 -1.21 0.00 0.00 -0.26 0.00 0.00 57.72 56.24 1ugg n HIS 36 Cb 0.07 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1ugg n HIS 36 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1ugg n THR 37 N -1.16 0.00 -2.25 1.59 -2.24 -0.94 -5.01 114.28 104.27 1ugg n THR 37 Ca 0.17 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 1ugg n THR 37 Cb 0.69 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 69.70 1ugg n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ugg s ALA 38 N -0.99 3.50 -0.19 6.98 0.00 -1.01 -4.70 121.76 125.35 1ugg s ALA 38 Ca 0.00 1.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.98 1ugg s ALA 38 Cb 0.00 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1ugg s ALA 38 CO 0.00 -0.50 0.02 0.21 0.00 0.00 0.00 175.76 175.49 1ugg s LYS 39 N -0.29 3.75 0.06 0.00 2.20 -0.02 -4.88 119.74 120.55 1ugg s LYS 39 Ca 0.55 -0.46 -0.31 0.00 -0.36 0.00 0.00 55.97 55.39 1ugg s LYS 39 Cb -0.36 -3.11 -0.07 0.00 -1.51 0.00 0.00 37.83 32.79 1ugg s LYS 39 CO 0.39 0.14 1.41 -0.47 -0.36 0.00 0.00 175.35 176.45 1ugg s TYR 40 N 0.70 3.01 -0.32 4.03 5.04 -1.26 0.50 117.35 129.04 1ugg s TYR 40 Ca 0.01 0.85 0.01 0.00 -2.44 0.00 0.00 57.07 55.50 1ugg s TYR 40 Cb -0.14 -3.69 0.08 0.00 0.35 0.00 0.00 41.96 38.56 1ugg s TYR 40 CO 0.02 -2.49 0.02 0.34 -1.34 0.00 0.00 175.55 172.10 1ugg s ASP 41 N 1.57 4.80 0.34 4.32 -1.08 0.32 -4.81 116.67 122.12 1ugg s ASP 41 Ca 0.65 -1.69 0.24 0.00 -0.52 0.00 0.00 52.55 51.22 1ugg s ASP 41 Cb -0.34 -1.66 1.23 0.00 -1.46 0.00 0.00 42.92 40.68 1ugg s ASP 41 CO 0.29 -0.32 1.73 1.55 0.52 0.00 0.00 175.17 178.93 1ugg h PRO 42 N 7.83 0.00 0.00 4.34 0.13 -1.91 -2.10 132.00 140.30 1ugg h PRO 42 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1ugg h PRO 42 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1ugg h PRO 42 CO 0.54 0.00 0.00 0.77 -0.23 0.00 0.00 178.00 179.08 1ugg h SER 43 N 0.00 0.00 -2.72 1.44 0.02 -1.95 -3.45 113.55 106.90 1ugg h SER 43 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1ugg h SER 43 Cb 0.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1ugg h SER 43 CO 0.00 0.00 1.02 -0.76 -1.14 0.00 0.00 176.83 175.95 1ugg s LEU 44 N -5.16 4.28 0.70 5.07 1.43 -0.79 -5.01 118.68 119.19 1ugg s LEU 44 Ca 0.09 2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 55.13 1ugg s LEU 44 Cb 0.10 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.79 1ugg s LEU 44 CO 0.61 -0.87 1.09 -0.54 0.23 0.00 0.00 176.35 176.88 1ugg s LYS 45 N 3.80 2.92 0.69 1.70 3.01 -1.25 -4.98 119.74 125.62 1ugg s LYS 45 Ca 0.67 0.49 -0.12 0.00 -1.01 0.00 0.00 55.97 56.00 1ugg s LYS 45 Cb -0.30 -2.03 0.01 0.00 -1.01 0.00 0.00 37.83 34.51 1ugg s LYS 45 CO 0.25 -1.00 1.07 -2.14 0.51 0.00 0.00 175.35 174.04 1ugg s PRO 46 N -5.34 2.85 0.34 -1.68 0.02 -1.26 -3.22 135.00 126.71 1ugg s PRO 46 Ca 0.58 1.11 -0.27 0.00 0.02 0.00 0.00 61.00 62.44 1ugg s PRO 46 Cb -0.11 -1.97 -0.09 0.00 0.02 0.00 0.00 34.50 32.34 1ugg s PRO 46 CO 0.52 -1.18 1.10 -0.51 -0.33 0.00 0.00 177.00 176.61 1ugg s LEU 47 N -5.32 4.36 -0.25 -5.54 1.43 -1.26 -1.01 118.68 111.09 1ugg s LEU 47 Ca 0.61 2.23 0.02 0.00 -1.03 0.00 0.00 54.13 55.96 1ugg s LEU 47 Cb -0.16 -3.87 0.05 0.00 0.03 0.00 0.00 46.19 42.24 1ugg s LEU 47 CO 0.49 -0.36 -0.11 -0.55 0.23 0.00 0.00 176.35 176.05 1ugg s SER 48 N -1.12 4.28 -0.06 2.29 0.15 0.57 -4.87 113.70 114.95 1ugg s SER 48 Ca 0.51 -1.26 0.04 0.00 0.70 0.00 0.00 55.95 55.94 1ugg s SER 48 Cb -0.29 -1.55 -0.02 0.00 -1.71 0.00 0.00 66.02 62.44 1ugg s SER 48 CO 0.37 -0.16 -0.17 -0.69 1.20 0.00 0.00 173.24 173.78 1ugg s VAL 49 N 1.15 2.77 -0.40 4.45 1.01 -1.26 -1.20 120.40 126.91 1ugg s VAL 49 Ca -0.06 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.17 1ugg s VAL 49 Cb -0.19 -2.07 0.23 0.00 0.00 0.00 0.00 36.38 34.36 1ugg s VAL 49 CO -0.06 0.58 0.49 -1.20 0.00 0.00 0.00 175.10 174.91 1ugg n SER 50 N 2.57 0.08 -0.64 3.32 7.64 -0.82 -4.92 113.62 120.85 1ugg n SER 50 Ca -0.17 -2.64 0.07 0.00 1.01 0.00 0.00 58.87 57.15 1ugg n SER 50 Cb 0.52 -0.62 0.23 0.00 -1.01 0.00 0.00 64.21 63.33 1ugg n SER 50 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1ugg n TYR 51 N 1.68 0.40 0.35 1.43 4.01 -1.26 -2.83 117.16 120.94 1ugg n TYR 51 Ca 0.23 -0.20 0.06 0.00 -0.16 0.00 0.00 57.90 57.82 1ugg n TYR 51 Cb 0.52 0.00 0.25 0.00 -0.31 0.00 0.00 39.34 39.80 1ugg n TYR 51 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1ugg n ASP 52 N 0.50 0.06 -0.45 7.72 5.75 -1.26 -2.42 116.55 126.45 1ugg n ASP 52 Ca 0.14 0.52 0.06 0.00 -0.01 0.00 0.00 54.79 55.50 1ugg n ASP 52 Cb 0.32 -0.53 0.11 0.00 -1.03 0.00 0.00 41.12 39.99 1ugg n ASP 52 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ugg n GLN 53 N -1.57 0.92 -1.93 0.11 3.00 -1.26 -5.06 117.38 111.59 1ugg n GLN 53 Ca 0.02 -2.32 -0.39 0.00 -0.01 0.00 0.00 57.00 54.30 1ugg n GLN 53 Cb 0.13 -1.13 0.01 0.00 0.00 0.00 0.00 30.24 29.25 1ugg n GLN 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ugg s ALA 54 N -1.99 3.09 -0.44 -1.58 0.00 -1.02 -4.29 121.76 115.55 1ugg s ALA 54 Ca 0.26 1.29 0.02 0.00 0.00 0.00 0.00 51.96 53.54 1ugg s ALA 54 Cb 0.25 -3.53 0.13 0.00 0.00 0.00 0.00 23.12 19.97 1ugg s ALA 54 CO -0.02 -1.07 0.21 0.99 0.00 0.00 0.00 175.76 175.87 1ugg s THR 55 N -1.29 1.73 0.49 0.00 2.01 -1.26 -4.95 115.64 112.37 1ugg s THR 55 Ca 0.63 -2.60 -0.22 0.00 0.31 0.00 0.00 61.69 59.80 1ugg s THR 55 Cb -0.39 -2.22 -0.06 0.00 0.01 0.00 0.00 72.50 69.83 1ugg s THR 55 CO 0.49 -0.82 1.23 -0.94 -0.69 0.00 0.00 174.62 173.89 1ugg s SER 56 N 0.38 5.84 0.01 3.53 1.04 -1.26 -0.69 113.70 122.54 1ugg s SER 56 Ca 0.16 2.45 -0.03 0.00 0.48 0.00 0.00 55.95 59.01 1ugg s SER 56 Cb -0.24 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.26 1ugg s SER 56 CO -0.03 -1.16 -0.06 0.18 0.98 0.00 0.00 173.24 173.15 1ugg n LEU 57 N -0.72 0.89 -4.02 2.42 4.77 0.17 -4.31 117.00 116.20 1ugg n LEU 57 Ca 0.09 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 1ugg n LEU 57 Cb 0.47 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1ugg n LEU 57 CO 0.49 -0.36 0.15 0.00 -1.33 0.00 0.00 177.39 176.34 1ugg s ARG 58 N -2.13 1.55 -0.06 3.23 1.70 -1.21 -0.94 118.95 121.09 1ugg s ARG 58 Ca -0.06 -1.31 0.04 0.00 -0.47 0.00 0.00 55.73 53.94 1ugg s ARG 58 Cb 0.01 0.46 -0.00 0.00 -0.57 0.00 0.00 34.95 34.85 1ugg s ARG 58 CO 0.08 -0.64 -0.19 -1.50 -1.08 0.00 0.00 175.30 171.97 1ugg s ILE 59 N -3.96 1.60 0.02 4.99 2.07 0.13 -0.74 121.20 125.31 1ugg s ILE 59 Ca 0.24 -0.79 0.00 0.00 -1.41 0.00 0.00 60.65 58.69 1ugg s ILE 59 Cb -0.00 -1.39 -0.02 0.00 0.13 0.00 0.00 42.46 41.19 1ugg s ILE 59 CO 0.10 0.46 -0.03 -0.22 -1.91 0.00 0.00 174.94 173.34 1ugg s LEU 60 N 0.19 2.18 -0.33 8.50 2.96 -0.40 -1.08 118.68 130.70 1ugg s LEU 60 Ca -0.09 -0.39 -0.10 0.00 -0.22 0.00 0.00 54.13 53.33 1ugg s LEU 60 Cb -0.14 0.05 0.00 0.00 0.50 0.00 0.00 46.19 46.60 1ugg s LEU 60 CO 0.04 -0.22 0.16 0.21 -1.32 0.00 0.00 176.35 175.22 1ugg s ASN 61 N -1.13 5.58 -0.01 3.68 3.84 -0.98 -1.32 114.94 124.60 1ugg s ASN 61 Ca -0.12 -0.65 0.23 0.00 0.21 0.00 0.00 52.86 52.53 1ugg s ASN 61 Cb -0.08 -2.00 0.66 0.00 -0.55 0.00 0.00 41.25 39.28 1ugg s ASN 61 CO -0.01 -0.24 1.55 -0.46 -2.79 0.00 0.00 177.10 175.16 1ugg n ASN 62 N 4.98 4.04 0.00 -4.21 6.94 -0.69 -1.53 115.26 124.79 1ugg n ASN 62 Ca -0.13 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.40 1ugg n ASN 62 Cb 0.48 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 1ugg n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ugg n GLY 63 N 1.66 1.09 0.00 4.83 0.00 -1.26 -4.77 105.19 106.74 1ugg n GLY 63 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1ugg n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ugg n HIS 64 N -2.00 0.00 -2.83 1.61 8.25 -1.26 -4.74 115.22 114.25 1ugg n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ugg n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ugg n HIS 64 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ugg n SER 65 N -2.07 0.00 -4.02 0.41 2.88 -1.26 -4.90 113.62 104.66 1ugg n SER 65 Ca 0.00 -0.57 -0.22 0.00 -1.33 0.00 0.00 58.87 56.76 1ugg n SER 65 Cb 0.41 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.71 1ugg n SER 65 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1ugg s PHE 66 N -5.22 1.14 0.07 0.66 -0.12 -1.26 -1.70 117.98 111.56 1ugg s PHE 66 Ca 0.00 -0.32 0.03 0.00 -0.05 0.00 0.00 56.93 56.59 1ugg s PHE 66 Cb 0.00 -0.82 -0.03 0.00 -0.63 0.00 0.00 43.02 41.54 1ugg s PHE 66 CO 0.00 -0.15 -0.09 0.54 -0.05 0.00 0.00 175.22 175.47 1ugg s ASN 67 N 0.30 1.24 -0.21 1.98 2.20 -0.44 -4.03 114.94 115.98 1ugg s ASN 67 Ca -0.06 -0.71 -0.08 0.00 -0.94 0.00 0.00 52.86 51.07 1ugg s ASN 67 Cb -0.11 0.02 -0.04 0.00 -2.00 0.00 0.00 41.25 39.12 1ugg s ASN 67 CO 0.01 -0.24 0.09 -0.69 -2.94 0.00 0.00 177.10 173.34 1ugg s VAL 68 N -2.03 4.84 0.10 3.54 1.01 -0.42 -1.28 120.40 126.16 1ugg s VAL 68 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.85 1ugg s VAL 68 Cb -0.06 -3.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 1ugg s VAL 68 CO -0.00 0.40 0.46 -1.61 0.00 0.00 0.00 175.10 174.35 1ugg s GLU 69 N 0.82 3.86 0.25 2.72 2.02 0.08 -2.36 118.70 126.10 1ugg s GLU 69 Ca 0.05 0.32 0.10 0.00 0.02 0.00 0.00 54.97 55.46 1ugg s GLU 69 Cb -0.13 -3.00 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 1ugg s GLU 69 CO 0.02 0.54 -0.17 -0.06 0.02 0.00 0.00 175.26 175.62 1ugg s PHE 70 N -1.39 2.03 -0.50 1.61 0.40 -0.55 0.43 117.98 120.03 1ugg s PHE 70 Ca 0.34 -0.46 -0.24 0.00 -0.60 0.00 0.00 56.93 55.97 1ugg s PHE 70 Cb -0.15 -0.93 0.03 0.00 0.51 0.00 0.00 43.02 42.49 1ugg s PHE 70 CO 0.18 0.54 0.87 0.34 0.70 0.00 0.00 175.22 177.85 1ugg s ASP 71 N -3.43 6.39 -0.56 1.36 -1.08 0.14 -4.85 116.67 114.63 1ugg s ASP 71 Ca 0.27 -0.21 0.01 0.00 -0.52 0.00 0.00 52.55 52.10 1ugg s ASP 71 Cb -0.02 -2.41 0.47 0.00 -1.46 0.00 0.00 42.92 39.49 1ugg s ASP 71 CO 0.11 -1.07 1.83 -0.90 0.52 0.00 0.00 175.17 175.66 1ugg n ASP 72 N 7.09 6.71 -0.02 -0.34 5.75 -1.26 -4.57 116.55 129.92 1ugg n ASP 72 Ca 0.02 -3.77 -0.17 0.00 -0.01 0.00 0.00 54.79 50.86 1ugg n ASP 72 Cb 0.48 -0.82 -0.14 0.00 -1.03 0.00 0.00 41.12 39.61 1ugg n ASP 72 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1ugg h SER 73 N 1.95 0.22 -1.69 -1.12 4.64 -1.94 -3.47 113.55 112.13 1ugg h SER 73 Ca 0.55 -0.96 -0.43 0.00 -0.47 0.00 0.00 61.79 60.47 1ugg h SER 73 Cb 1.12 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1ugg h SER 73 CO 1.35 1.20 -0.32 -1.10 -0.87 0.00 0.00 176.83 177.09 1ugg s GLN 74 N -2.32 3.03 -0.11 4.77 -0.21 -1.26 -4.98 119.66 118.57 1ugg s GLN 74 Ca -0.17 -1.08 -0.04 0.00 0.02 0.00 0.00 55.36 54.09 1ugg s GLN 74 Cb -0.01 -2.80 -0.12 0.00 1.00 0.00 0.00 33.01 31.08 1ugg s GLN 74 CO 0.75 -0.03 3.06 -3.47 -2.12 0.00 0.00 175.29 173.47 1ugg n ASP 75 N -1.70 5.59 0.00 5.90 2.03 -1.26 -4.56 116.55 122.55 1ugg n ASP 75 Ca 0.02 -2.66 0.00 0.00 0.52 0.00 0.00 54.79 52.68 1ugg n ASP 75 Cb 0.58 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.68 1ugg n ASP 75 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ugg n LYS 76 N 1.84 0.00 -2.98 -0.67 5.02 -1.26 -4.60 118.16 115.52 1ugg n LYS 76 Ca 0.36 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.22 1ugg n LYS 76 Cb 0.75 -0.61 -0.05 0.00 -0.02 0.00 0.00 35.03 35.10 1ugg n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ugg s ALA 77 N -2.90 3.27 0.19 7.82 0.00 -1.25 -4.57 121.76 124.33 1ugg s ALA 77 Ca 0.00 -1.26 0.07 0.00 0.00 0.00 0.00 51.96 50.76 1ugg s ALA 77 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1ugg s ALA 77 CO 0.00 -2.09 -0.13 0.14 0.00 0.00 0.00 175.76 173.68 1ugg s VAL 78 N 3.33 1.57 -0.01 0.00 -7.23 -1.13 -2.16 120.40 114.77 1ugg s VAL 78 Ca 0.26 -2.16 0.06 0.00 -1.81 0.00 0.00 61.98 58.33 1ugg s VAL 78 Cb -0.14 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 1ugg s VAL 78 CO 0.19 -0.62 -0.20 -0.22 -0.31 0.00 0.00 175.10 173.94 1ugg s LEU 79 N -3.28 2.05 0.00 1.32 2.96 0.12 -1.95 118.68 119.90 1ugg s LEU 79 Ca 0.21 -0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 53.63 1ugg s LEU 79 Cb 0.00 -1.04 0.04 0.00 0.50 0.00 0.00 46.19 45.70 1ugg s LEU 79 CO 0.05 0.24 0.59 2.29 -1.32 0.00 0.00 176.35 178.21 1ugg n LYS 80 N 2.51 0.77 0.00 1.98 2.85 -0.34 -1.61 118.16 124.32 1ugg n LYS 80 Ca -0.15 -1.53 0.00 0.00 -1.05 0.00 0.00 58.31 55.58 1ugg n LYS 80 Cb 0.53 1.92 0.00 0.00 -0.65 0.00 0.00 35.03 36.83 1ugg n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ugg n GLY 81 N -0.40 -1.70 7.00 2.58 0.00 -1.26 -0.31 105.19 111.09 1ugg n GLY 81 Ca -0.06 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1ugg n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ugg n GLY 82 N 0.00 3.19 0.75 -0.02 0.00 -0.18 -1.94 105.19 106.99 1ugg n GLY 82 Ca 0.00 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.82 1ugg n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ugg n PRO 83 N 13.98 1.95 -3.43 1.61 -0.04 -1.26 -3.82 135.00 143.99 1ugg n PRO 83 Ca 0.00 -1.47 -0.31 0.00 -0.04 0.00 0.00 63.50 61.68 1ugg n PRO 83 Cb 0.00 -1.35 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 1ugg n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ugg s LEU 84 N -1.14 4.15 -0.17 1.53 1.43 -0.82 -5.08 118.68 118.59 1ugg s LEU 84 Ca 0.29 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 1ugg s LEU 84 Cb 0.16 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.81 1ugg s LEU 84 CO 0.21 -0.09 -0.20 -1.81 0.23 0.00 0.00 176.35 174.68 1ugg s ASP 85 N -2.61 3.15 0.00 2.29 1.01 -1.26 -4.42 116.67 114.82 1ugg s ASP 85 Ca 0.45 -0.63 0.00 0.00 0.71 0.00 0.00 52.55 53.09 1ugg s ASP 85 Cb -0.11 -1.47 0.00 0.00 1.01 0.00 0.00 42.92 42.35 1ugg s ASP 85 CO 0.24 0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.26 1ugg n GLY 86 N 4.40 0.11 3.83 0.21 0.00 -1.26 -4.98 105.19 107.51 1ugg n GLY 86 Ca -0.21 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.45 1ugg n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugg s THR 87 N -1.04 5.28 -0.06 2.61 2.01 -1.26 -4.65 115.64 118.52 1ugg s THR 87 Ca 0.00 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.18 1ugg s THR 87 Cb 0.00 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 1ugg s THR 87 CO 0.00 0.61 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.99 1ugg s TYR 88 N -0.92 2.33 -0.14 4.92 1.51 -0.63 -1.60 117.35 122.83 1ugg s TYR 88 Ca 0.14 -0.76 -0.10 0.00 -1.01 0.00 0.00 57.07 55.35 1ugg s TYR 88 Cb -0.12 -1.54 -0.05 0.00 -0.11 0.00 0.00 41.96 40.14 1ugg s TYR 88 CO 0.03 -0.25 0.20 1.03 -1.11 0.00 0.00 175.55 175.44 1ugg s ARG 89 N -0.01 3.85 -0.01 -0.62 0.52 -0.46 -0.70 118.95 121.52 1ugg s ARG 89 Ca -0.07 -0.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.78 1ugg s ARG 89 Cb -0.14 -3.30 -0.05 0.00 0.52 0.00 0.00 34.95 31.97 1ugg s ARG 89 CO 0.05 0.54 1.40 -1.17 0.02 0.00 0.00 175.30 176.13 1ugg s LEU 90 N -0.37 4.31 -0.11 2.53 2.96 -0.92 -1.52 118.68 125.56 1ugg s LEU 90 Ca 0.14 2.09 0.03 0.00 -0.22 0.00 0.00 54.13 56.18 1ugg s LEU 90 Cb -0.12 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.92 1ugg s LEU 90 CO 0.03 -0.72 -0.06 0.00 -1.32 0.00 0.00 176.35 174.28 1ugg n ILE 91 N 4.72 0.65 -3.64 6.68 3.06 -0.26 -4.47 119.36 126.11 1ugg n ILE 91 Ca 0.13 -0.30 -0.04 0.00 -2.50 0.00 0.00 62.75 60.05 1ugg n ILE 91 Cb 0.44 -0.86 -0.01 0.00 0.54 0.00 0.00 39.64 39.74 1ugg n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ugg s GLN 92 N -2.23 0.81 0.03 9.51 1.03 -1.22 -1.48 119.66 126.12 1ugg s GLN 92 Ca -0.12 -0.40 -0.00 0.00 0.04 0.00 0.00 55.36 54.88 1ugg s GLN 92 Cb 0.04 0.31 -0.03 0.00 0.03 0.00 0.00 33.01 33.35 1ugg s GLN 92 CO 0.30 -0.36 -0.03 -0.59 -2.54 0.00 0.00 175.29 172.07 1ugg s PHE 93 N -2.94 0.39 0.36 9.60 -0.12 -0.99 -0.56 117.98 123.71 1ugg s PHE 93 Ca 0.10 -0.77 -0.14 0.00 -0.05 0.00 0.00 56.93 56.07 1ugg s PHE 93 Cb 0.00 -0.29 0.04 0.00 -0.63 0.00 0.00 43.02 42.14 1ugg s PHE 93 CO -0.03 -0.27 0.71 -3.38 -0.05 0.00 0.00 175.22 172.20 1ugg s HIS 94 N -2.58 0.27 0.25 3.49 -3.43 -0.84 -1.30 115.29 111.15 1ugg s HIS 94 Ca -0.05 -0.82 0.03 0.00 -0.80 0.00 0.00 55.06 53.41 1ugg s HIS 94 Cb -0.02 0.63 -0.05 0.00 -1.43 0.00 0.00 32.58 31.71 1ugg s HIS 94 CO -0.05 -1.43 0.03 -0.06 -2.00 0.00 0.00 174.74 171.22 1ugg s PHE 95 N -2.71 1.62 -0.01 0.38 0.40 -1.26 -0.74 117.98 115.67 1ugg s PHE 95 Ca 0.18 -0.98 0.01 0.00 -0.60 0.00 0.00 56.93 55.55 1ugg s PHE 95 Cb -0.04 -0.97 0.00 0.00 0.51 0.00 0.00 43.02 42.53 1ugg s PHE 95 CO 0.12 -0.09 -0.05 -1.01 0.70 0.00 0.00 175.22 174.90 1ugg s HIS 96 N -3.46 0.53 0.24 0.36 3.76 -0.26 -4.75 115.29 111.71 1ugg s HIS 96 Ca 0.31 -0.11 -0.10 0.00 -0.15 0.00 0.00 55.06 55.02 1ugg s HIS 96 Cb 0.07 -0.40 -0.01 0.00 1.11 0.00 0.00 32.58 33.34 1ugg s HIS 96 CO 0.11 -0.06 0.41 1.67 -0.85 0.00 0.00 174.74 176.02 1ugg s TRP 97 N 0.20 0.54 0.52 1.40 -2.14 -1.22 -1.33 118.94 116.91 1ugg s TRP 97 Ca -0.02 -0.87 0.04 0.00 2.66 0.00 0.00 56.10 57.91 1ugg s TRP 97 Cb -0.06 0.03 0.01 0.00 -3.10 0.00 0.00 33.47 30.36 1ugg s TRP 97 CO -0.00 -0.93 0.26 0.20 -2.66 0.00 0.00 176.95 173.82 1ugg s GLY 98 N -3.05 2.56 0.21 3.67 0.00 -1.14 -1.16 107.32 108.40 1ugg s GLY 98 Ca 0.26 -1.10 0.25 0.00 0.00 0.00 0.00 44.72 44.13 1ugg s GLY 98 CO 0.10 -2.01 1.74 -1.14 0.00 0.00 0.00 173.10 171.79 1ugg n SER 99 N -1.56 0.65 -3.86 1.64 3.41 -1.26 -4.35 113.62 108.29 1ugg n SER 99 Ca -0.07 0.61 -0.09 0.00 -0.26 0.00 0.00 58.87 59.06 1ugg n SER 99 Cb 0.65 -0.76 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 1ugg n SER 99 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1ugg s LEU 100 N -4.32 1.29 0.43 1.04 0.05 -1.26 -5.06 118.68 110.84 1ugg s LEU 100 Ca 0.08 -0.66 0.11 0.00 0.05 0.00 0.00 54.13 53.71 1ugg s LEU 100 Cb 0.11 1.11 0.98 0.00 -2.05 0.00 0.00 46.19 46.34 1ugg s LEU 100 CO 0.48 -0.76 2.04 0.44 -0.55 0.00 0.00 176.35 178.00 1ugg h ASP 101 N 2.69 0.37 0.00 1.48 3.32 -1.92 -2.94 116.42 119.42 1ugg h ASP 101 Ca -0.34 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1ugg h ASP 101 Cb 1.21 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1ugg h ASP 101 CO 0.54 0.25 0.00 0.61 -1.72 0.00 0.00 179.24 178.93 1ugg n GLY 102 N -1.50 -0.47 3.42 2.75 0.00 -1.26 -3.56 105.19 104.57 1ugg n GLY 102 Ca 0.05 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 1ugg n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ugg s GLN 103 N -2.00 1.23 0.00 1.61 -2.07 -1.11 -4.70 119.66 112.61 1ugg s GLN 103 Ca 0.19 -0.87 0.00 0.00 -1.82 0.00 0.00 55.36 52.86 1ugg s GLN 103 Cb 0.08 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.48 1ugg s GLN 103 CO 0.14 -0.50 0.00 0.41 -1.32 0.00 0.00 175.29 174.03 1ugg n GLY 104 N -0.28 1.17 3.83 2.60 0.00 -1.06 -2.88 105.19 108.58 1ugg n GLY 104 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1ugg n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ugg s SER 105 N 0.00 6.03 -0.21 1.61 1.04 -0.85 -3.41 113.70 117.91 1ugg s SER 105 Ca 0.00 1.64 -0.19 0.00 0.48 0.00 0.00 55.95 57.89 1ugg s SER 105 Cb 0.00 -2.51 -0.19 0.00 0.10 0.00 0.00 66.02 63.42 1ugg s SER 105 CO 0.00 -1.00 0.15 -0.62 0.98 0.00 0.00 173.24 172.75 1ugg n GLU 106 N -2.22 0.59 -2.88 4.02 1.02 -1.26 -4.83 120.64 115.08 1ugg n GLU 106 Ca 0.07 0.50 -0.32 0.00 -0.02 0.00 0.00 57.16 57.39 1ugg n GLU 106 Cb 0.53 -1.71 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 1ugg n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1ugg s HIS 107 N -2.41 3.37 0.13 -0.32 3.76 -1.26 -4.36 115.29 114.20 1ugg s HIS 107 Ca -0.29 1.38 0.06 0.00 -0.15 0.00 0.00 55.06 56.05 1ugg s HIS 107 Cb 0.07 -2.68 -0.04 0.00 1.11 0.00 0.00 32.58 31.05 1ugg s HIS 107 CO 0.60 -0.07 -0.13 0.95 -0.85 0.00 0.00 174.74 175.23 1ugg s THR 108 N -2.20 1.32 -0.26 1.30 -4.23 -1.17 -4.70 115.64 105.70 1ugg s THR 108 Ca 0.57 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 1ugg s THR 108 Cb -0.10 -1.58 0.05 0.00 1.34 0.00 0.00 72.50 72.21 1ugg s THR 108 CO 0.19 -0.47 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.03 1ugg s VAL 109 N -2.32 2.43 -1.46 2.29 1.01 -0.78 -0.66 120.40 120.91 1ugg s VAL 109 Ca 0.10 -1.47 -0.08 0.00 0.00 0.00 0.00 61.98 60.54 1ugg s VAL 109 Cb -0.04 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.99 1ugg s VAL 109 CO 0.03 0.02 0.85 0.47 0.00 0.00 0.00 175.10 176.47 1ugg n ASP 110 N 4.51 -5.82 0.00 3.32 8.00 0.96 -0.85 116.55 126.66 1ugg n ASP 110 Ca -0.15 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1ugg n ASP 110 Cb 0.43 -4.66 0.00 0.00 -0.02 0.00 0.00 41.12 36.88 1ugg n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ugg n LYS 111 N -4.44 -0.08 -2.82 -1.24 5.02 -1.26 -5.00 118.16 108.34 1ugg n LYS 111 Ca -0.04 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 1ugg n LYS 111 Cb 0.58 -2.93 -0.03 0.00 -0.02 0.00 0.00 35.03 32.62 1ugg n LYS 111 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ugg s LYS 112 N -0.18 4.36 0.20 1.97 2.20 -0.03 -5.01 119.74 123.25 1ugg s LYS 112 Ca 0.00 1.16 -0.05 0.00 -0.36 0.00 0.00 55.97 56.72 1ugg s LYS 112 Cb 0.00 -3.55 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 1ugg s LYS 112 CO 0.00 -0.28 0.45 0.15 -0.36 0.00 0.00 175.35 175.31 1ugg s LYS 113 N 1.95 3.64 0.41 4.03 1.02 -1.26 -1.86 119.74 127.67 1ugg s LYS 113 Ca 0.42 -0.04 0.08 0.00 0.02 0.00 0.00 55.97 56.45 1ugg s LYS 113 Cb -0.17 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 1ugg s LYS 113 CO 0.15 0.38 0.27 0.71 -0.92 0.00 0.00 175.35 175.94 1ugg s TYR 114 N -1.81 2.67 0.21 3.18 1.51 -1.26 -4.81 117.35 117.03 1ugg s TYR 114 Ca 0.42 -0.52 0.28 0.00 -1.01 0.00 0.00 57.07 56.25 1ugg s TYR 114 Cb -0.11 -2.02 1.23 0.00 -0.11 0.00 0.00 41.96 40.94 1ugg s TYR 114 CO 0.26 0.06 1.95 0.00 -1.11 0.00 0.00 175.55 176.71 1ugg h ALA 115 N 1.26 1.07 -2.12 3.71 0.00 -1.50 -2.19 119.26 119.48 1ugg h ALA 115 Ca -0.42 -0.12 0.22 0.00 0.00 0.00 0.00 54.91 54.59 1ugg h ALA 115 Cb 1.26 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 1ugg h ALA 115 CO 0.63 0.16 0.59 0.00 0.00 0.00 0.00 179.25 180.63 1ugg s ALA 116 N -3.79 -1.81 -0.06 0.00 0.00 -1.21 -3.73 121.76 111.17 1ugg s ALA 116 Ca -0.00 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.16 1ugg s ALA 116 Cb 0.11 0.58 0.03 0.00 0.00 0.00 0.00 23.12 23.84 1ugg s ALA 116 CO 0.59 -1.05 0.13 -2.00 0.00 0.00 0.00 175.76 173.42 1ugg s GLU 117 N -2.96 0.09 -0.12 0.00 2.12 -0.44 -0.83 118.70 116.57 1ugg s GLU 117 Ca 0.14 0.30 -0.05 0.00 0.36 0.00 0.00 54.97 55.72 1ugg s GLU 117 Cb 0.00 -0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.23 1ugg s GLU 117 CO 0.01 -0.13 0.06 -1.17 -0.54 0.00 0.00 175.26 173.50 1ugg s LEU 118 N 0.87 3.92 -0.18 2.70 2.96 0.57 -1.10 118.68 128.42 1ugg s LEU 118 Ca -0.07 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1ugg s LEU 118 Cb -0.09 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.70 1ugg s LEU 118 CO -0.04 0.35 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.21 1ugg s HIS 119 N -0.72 2.45 -0.36 5.38 3.76 0.08 -1.06 115.29 124.82 1ugg s HIS 119 Ca 0.12 -1.52 -0.13 0.00 -0.15 0.00 0.00 55.06 53.38 1ugg s HIS 119 Cb -0.12 -1.69 -0.00 0.00 1.11 0.00 0.00 32.58 31.88 1ugg s HIS 119 CO 0.03 -0.74 0.25 -0.51 -0.85 0.00 0.00 174.74 172.92 1ugg s LEU 120 N 1.39 4.69 -0.14 0.89 1.02 -0.28 -1.98 118.68 124.26 1ugg s LEU 120 Ca 0.02 -0.61 -0.17 0.00 0.02 0.00 0.00 54.13 53.39 1ugg s LEU 120 Cb -0.15 -2.13 -0.04 0.00 0.02 0.00 0.00 46.19 43.89 1ugg s LEU 120 CO -0.10 -0.31 0.42 -0.69 0.02 0.00 0.00 176.35 175.69 1ugg s VAL 121 N 1.69 5.22 0.04 -1.59 1.01 0.27 -0.95 120.40 126.10 1ugg s VAL 121 Ca 0.05 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.88 1ugg s VAL 121 Cb -0.18 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1ugg s VAL 121 CO 0.10 0.34 -0.10 -1.00 0.00 0.00 0.00 175.10 174.43 1ugg s HIS 122 N 0.65 0.89 0.01 5.22 3.76 0.08 -1.10 115.29 124.81 1ugg s HIS 122 Ca 0.23 -0.41 0.07 0.00 -0.15 0.00 0.00 55.06 54.80 1ugg s HIS 122 Cb -0.14 -0.53 -0.03 0.00 1.11 0.00 0.00 32.58 32.99 1ugg s HIS 122 CO 0.08 -0.02 -0.21 1.67 -0.85 0.00 0.00 174.74 175.41 1ugg s TRP 123 N -1.10 2.47 -0.25 1.40 1.48 -0.58 -0.16 118.94 122.20 1ugg s TRP 123 Ca -0.04 -0.32 -0.29 0.00 -1.06 0.00 0.00 56.10 54.39 1ugg s TRP 123 Cb -0.09 -1.48 -0.03 0.00 -1.16 0.00 0.00 33.47 30.71 1ugg s TRP 123 CO 0.01 0.14 1.77 1.21 -4.06 0.00 0.00 176.95 176.02 1ugg s ASN 124 N -1.08 6.09 0.58 -2.66 3.84 0.84 -1.36 114.94 121.19 1ugg s ASN 124 Ca 0.12 1.58 0.28 0.00 0.21 0.00 0.00 52.86 55.05 1ugg s ASN 124 Cb -0.10 -2.53 1.54 0.00 -0.55 0.00 0.00 41.25 39.61 1ugg s ASN 124 CO 0.02 -1.50 2.02 0.71 -2.79 0.00 0.00 177.10 175.56 1ugg h THR 125 N 6.49 0.50 0.00 -5.21 1.35 -1.64 -1.01 112.91 113.39 1ugg h THR 125 Ca -0.35 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1ugg h THR 125 Cb 1.17 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1ugg h THR 125 CO 1.01 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.57 1ugg n LYS 127 N -3.90 0.15 -0.02 4.72 2.85 -1.26 -1.11 118.16 119.59 1ugg n LYS 127 Ca 0.05 0.52 0.13 0.00 -1.05 0.00 0.00 58.31 57.96 1ugg n LYS 127 Cb 0.47 -1.87 0.38 0.00 -0.65 0.00 0.00 35.03 33.37 1ugg n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ugg n TYR 128 N -2.16 0.04 0.00 5.58 4.01 -0.38 -4.97 117.16 119.28 1ugg n TYR 128 Ca 0.00 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1ugg n TYR 128 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 1ugg n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ugg n GLY 129 N 1.23 1.31 3.57 2.72 0.00 -0.27 -4.51 105.19 109.24 1ugg n GLY 129 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 1ugg n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ugg s ASP 130 N 0.00 -0.41 0.26 1.61 -4.77 -1.26 -5.04 116.67 107.06 1ugg s ASP 130 Ca 0.00 -0.18 -0.02 0.00 -3.30 0.00 0.00 52.55 49.06 1ugg s ASP 130 Cb 0.00 0.57 0.45 0.00 -1.09 0.00 0.00 42.92 42.85 1ugg s ASP 130 CO 0.00 -0.97 1.84 0.15 0.70 0.00 0.00 175.17 176.89 1ugg h PHE 131 N 2.00 1.05 -0.53 2.11 3.57 -1.94 -1.45 116.94 121.76 1ugg h PHE 131 Ca -0.27 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1ugg h PHE 131 Cb 1.27 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 1ugg h PHE 131 CO 0.30 0.46 0.33 0.78 -2.23 0.00 0.00 178.31 177.95 1ugg h GLY 132 N 0.97 0.76 1.32 2.40 0.00 -1.96 -2.79 103.07 103.77 1ugg h GLY 132 Ca 0.44 -0.30 -0.23 0.00 0.00 0.00 0.00 47.33 47.24 1ugg h GLY 132 CO -0.23 0.30 -0.89 0.50 0.00 0.00 0.00 176.54 176.21 1ugg h LYS 133 N 0.71 0.64 -0.68 4.80 1.57 -1.77 -3.33 116.57 118.50 1ugg h LYS 133 Ca 0.19 -0.60 0.10 0.00 -1.87 0.00 0.00 60.65 58.47 1ugg h LYS 133 Cb -0.04 0.15 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 1ugg h LYS 133 CO -0.04 1.21 0.30 0.00 -0.57 0.00 0.00 179.45 180.35 1ugg h ALA 134 N 0.60 0.92 0.00 3.86 0.00 -1.15 -1.80 119.26 121.69 1ugg h ALA 134 Ca -0.08 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ugg h ALA 134 Cb 1.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1ugg h ALA 134 CO 0.17 -0.13 0.00 1.33 0.00 0.00 0.00 179.25 180.62 1ugg n VAL 135 N -4.94 0.89 1.23 0.00 0.24 -1.06 -0.80 118.33 113.89 1ugg n VAL 135 Ca 0.11 0.22 0.13 0.00 -2.04 0.00 0.00 64.34 62.76 1ugg n VAL 135 Cb 0.30 -1.07 0.32 0.00 -1.47 0.00 0.00 33.84 31.91 1ugg n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ugg n GLN 136 N -1.32 1.09 -4.30 7.34 6.02 -0.67 -4.71 117.38 120.82 1ugg n GLN 136 Ca 0.04 -0.72 -0.31 0.00 -0.01 0.00 0.00 57.00 56.00 1ugg n GLN 136 Cb 0.08 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.76 1ugg n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1ugg s GLN 137 N -2.40 2.45 0.00 -1.09 -1.52 0.02 -5.00 119.66 112.12 1ugg s GLN 137 Ca 0.25 -0.83 0.14 0.00 -1.95 0.00 0.00 55.36 52.98 1ugg s GLN 137 Cb 0.19 -2.47 0.66 0.00 -0.22 0.00 0.00 33.01 31.18 1ugg s GLN 137 CO 0.49 0.56 1.44 -0.35 -0.25 0.00 0.00 175.29 177.19 1ugg n PRO 138 N 1.06 0.08 -0.46 2.91 -0.04 -1.26 -2.04 135.00 135.25 1ugg n PRO 138 Ca -0.14 0.21 0.06 0.00 -0.04 0.00 0.00 63.50 63.60 1ugg n PRO 138 Cb 0.52 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.59 1ugg n PRO 138 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ugg n ASP 139 N -1.42 1.51 0.17 3.54 5.75 -1.26 -4.18 116.55 120.66 1ugg n ASP 139 Ca 0.05 -2.90 0.04 0.00 -0.01 0.00 0.00 54.79 51.97 1ugg n ASP 139 Cb 0.15 -0.38 0.26 0.00 -1.03 0.00 0.00 41.12 40.11 1ugg n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1ugg h GLY 140 N 0.35 0.00 -4.27 6.12 0.00 -1.20 -3.43 103.07 100.64 1ugg h GLY 140 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.90 1ugg h GLY 140 CO 0.01 0.00 -0.77 1.08 0.00 0.00 0.00 176.54 176.86 1ugg s LEU 141 N -7.04 2.31 -0.11 3.11 1.43 -0.19 -0.11 118.68 118.07 1ugg s LEU 141 Ca 0.00 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1ugg s LEU 141 Cb 0.11 -0.49 0.02 0.00 0.03 0.00 0.00 46.19 45.86 1ugg s LEU 141 CO 0.71 -0.11 -0.09 0.00 0.23 0.00 0.00 176.35 177.09 1ugg s ALA 142 N -1.54 1.38 -0.17 4.21 0.00 0.77 -1.42 121.76 124.99 1ugg s ALA 142 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1ugg s ALA 142 Cb -0.08 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 1ugg s ALA 142 CO 0.02 -0.33 -0.13 0.08 0.00 0.00 0.00 175.76 175.40 1ugg s VAL 143 N 1.52 2.74 -0.23 0.00 1.01 -0.99 -0.74 120.40 123.70 1ugg s VAL 143 Ca 0.02 -0.73 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 1ugg s VAL 143 Cb -0.13 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1ugg s VAL 143 CO -0.07 0.50 0.61 -0.22 0.00 0.00 0.00 175.10 175.93 1ugg s LEU 144 N 1.02 4.10 -0.14 3.92 2.96 -0.13 -1.89 118.68 128.52 1ugg s LEU 144 Ca -0.01 0.74 -0.04 0.00 -0.22 0.00 0.00 54.13 54.60 1ugg s LEU 144 Cb -0.15 -2.85 -0.03 0.00 0.50 0.00 0.00 46.19 43.67 1ugg s LEU 144 CO -0.03 -0.32 0.00 -0.83 -1.32 0.00 0.00 176.35 173.86 1ugg s GLY 145 N 1.36 1.82 -0.06 7.98 0.00 0.61 -1.13 107.32 117.89 1ugg s GLY 145 Ca 0.27 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.20 1ugg s GLY 145 CO 0.09 -0.19 -0.06 -0.42 0.00 0.00 0.00 173.10 172.52 1ugg s ILE 146 N -0.04 0.69 0.29 0.90 1.01 -0.22 -1.55 121.20 122.28 1ugg s ILE 146 Ca 0.03 -0.18 -0.24 0.00 0.00 0.00 0.00 60.65 60.27 1ugg s ILE 146 Cb -0.13 -0.72 -0.09 0.00 0.01 0.00 0.00 42.46 41.53 1ugg s ILE 146 CO 0.02 0.27 0.86 -0.36 0.00 0.00 0.00 174.94 175.73 1ugg s PHE 147 N 1.13 3.67 -0.12 3.97 0.08 -1.26 -0.31 117.98 125.14 1ugg s PHE 147 Ca -0.07 1.63 0.00 0.00 0.12 0.00 0.00 56.93 58.61 1ugg s PHE 147 Cb -0.14 -2.80 -0.02 0.00 -0.57 0.00 0.00 43.02 39.49 1ugg s PHE 147 CO -0.01 0.26 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.72 1ugg s LEU 148 N -2.04 2.72 0.07 -0.37 1.02 -0.01 -0.73 118.68 119.35 1ugg s LEU 148 Ca 0.48 -0.32 0.10 0.00 0.02 0.00 0.00 54.13 54.41 1ugg s LEU 148 Cb -0.18 -1.61 -0.03 0.00 0.02 0.00 0.00 46.19 44.39 1ugg s LEU 148 CO 0.23 0.18 -0.26 -0.75 0.02 0.00 0.00 176.35 175.76 1ugg s LYS 149 N 0.28 1.67 -0.14 1.70 2.20 -0.32 -2.27 119.74 122.86 1ugg s LYS 149 Ca -0.10 -1.19 -0.26 0.00 -0.36 0.00 0.00 55.97 54.06 1ugg s LYS 149 Cb -0.16 -1.96 -0.02 0.00 -1.51 0.00 0.00 37.83 34.19 1ugg s LYS 149 CO 0.05 0.49 0.88 0.08 -0.36 0.00 0.00 175.35 176.49 1ugg s VAL 150 N -0.90 4.86 0.00 4.02 1.01 -1.25 -0.80 120.40 127.33 1ugg s VAL 150 Ca 0.13 1.75 0.00 0.00 0.00 0.00 0.00 61.98 63.86 1ugg s VAL 150 Cb -0.10 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1ugg s VAL 150 CO 0.04 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1ugg n GLY 151 N 3.32 1.22 3.91 4.51 0.00 0.15 -4.86 105.19 113.44 1ugg n GLY 151 Ca 0.05 0.38 -0.28 0.00 0.00 0.00 0.00 46.02 46.18 1ugg n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugg s SER 152 N 2.00 5.30 0.57 1.61 0.01 -1.26 -4.09 113.70 117.84 1ugg s SER 152 Ca 0.00 0.79 -0.16 0.00 1.31 0.00 0.00 55.95 57.89 1ugg s SER 152 Cb 0.00 -1.62 -0.05 0.00 0.21 0.00 0.00 66.02 64.57 1ugg s SER 152 CO 0.00 -1.32 1.04 0.00 0.41 0.00 0.00 173.24 173.37 1ugg s ALA 153 N -3.20 2.83 -0.33 1.44 0.00 -1.26 -2.33 121.76 118.91 1ugg s ALA 153 Ca 0.57 0.34 -0.10 0.00 0.00 0.00 0.00 51.96 52.77 1ugg s ALA 153 Cb -0.11 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1ugg s ALA 153 CO 0.47 -0.65 0.16 0.21 0.00 0.00 0.00 175.76 175.96 1ugg s LYS 154 N -4.06 3.18 0.28 0.00 2.47 -1.22 -4.83 119.74 115.57 1ugg s LYS 154 Ca 0.62 -0.83 -0.02 0.00 -1.56 0.00 0.00 55.97 54.19 1ugg s LYS 154 Cb -0.14 -3.60 0.43 0.00 -1.46 0.00 0.00 37.83 33.05 1ugg s LYS 154 CO 0.35 -0.50 1.92 -1.35 0.16 0.00 0.00 175.35 175.94 1ugg h PRO 155 N 8.37 1.12 0.00 4.03 0.11 -1.92 -2.62 132.00 141.09 1ugg h PRO 155 Ca -0.30 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1ugg h PRO 155 Cb 1.13 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1ugg h PRO 155 CO 0.63 0.74 0.00 0.78 -0.21 0.00 0.00 178.00 179.94 1ugg h GLY 156 N 1.15 0.00 0.74 -0.55 0.00 -1.94 -2.18 103.07 100.29 1ugg h GLY 156 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1ugg h GLY 156 CO -0.12 0.00 -0.52 -0.10 0.00 0.00 0.00 176.54 175.80 1ugg n LEU 157 N -2.60 0.66 -0.27 3.11 7.94 -0.99 -4.39 117.00 120.46 1ugg n LEU 157 Ca 0.00 -0.11 -0.01 0.00 -1.11 0.00 0.00 56.01 54.78 1ugg n LEU 157 Cb 0.19 -0.20 0.11 0.00 0.53 0.00 0.00 43.42 44.05 1ugg n LEU 157 CO 0.20 0.15 1.15 -0.61 -1.11 0.00 0.00 177.39 177.17 1ugg h GLN 158 N 0.21 0.83 -0.26 1.96 5.75 -1.43 -2.16 115.11 120.02 1ugg h GLN 158 Ca 0.00 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 1ugg h GLN 158 Cb 0.51 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1ugg h GLN 158 CO 0.00 0.55 -0.01 -0.22 -2.65 0.00 0.00 178.83 176.50 1ugg h LYS 159 N 0.86 0.38 0.28 1.69 3.64 -1.78 -1.46 116.57 120.18 1ugg h LYS 159 Ca 0.32 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1ugg h LYS 159 Cb 0.12 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1ugg h LYS 159 CO -0.15 0.42 -0.13 0.28 -2.27 0.00 0.00 179.45 177.60 1ugg h VAL 160 N 0.37 0.57 -0.98 2.00 2.07 -1.69 -3.09 116.25 115.51 1ugg h VAL 160 Ca 0.08 -0.84 0.19 0.00 0.82 0.00 0.00 66.70 66.95 1ugg h VAL 160 Cb 0.27 0.92 -0.09 0.00 -1.52 0.00 0.00 31.29 30.87 1ugg h VAL 160 CO 0.01 0.13 0.61 0.58 0.02 0.00 0.00 177.57 178.92 1ugg h VAL 161 N -0.92 0.72 -0.02 2.57 2.07 -1.35 -2.64 116.25 116.69 1ugg h VAL 161 Ca -0.04 -0.24 -0.14 0.00 0.82 0.00 0.00 66.70 67.11 1ugg h VAL 161 Cb 0.50 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1ugg h VAL 161 CO 0.06 0.13 -0.64 0.44 0.02 0.00 0.00 177.57 177.58 1ugg h ASP 162 N 0.69 0.07 1.54 0.57 3.32 -1.28 -3.21 116.42 118.11 1ugg h ASP 162 Ca 0.54 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1ugg h ASP 162 Cb 0.94 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1ugg h ASP 162 CO -0.31 0.69 -0.23 1.62 -1.72 0.00 0.00 179.24 179.30 1ugg h VAL 163 N 0.04 0.00 -0.87 -1.35 3.04 -1.38 -3.35 116.25 112.39 1ugg h VAL 163 Ca -0.01 -0.76 0.22 0.00 -1.01 0.00 0.00 66.70 65.14 1ugg h VAL 163 Cb 1.13 1.64 -0.05 0.00 -2.01 0.00 0.00 31.29 32.00 1ugg h VAL 163 CO 0.09 0.00 0.60 -0.07 -1.01 0.00 0.00 177.57 177.17 1ugg h LEU 164 N 0.00 0.22 -1.10 3.16 3.38 -1.54 0.11 115.31 119.55 1ugg h LEU 164 Ca 0.00 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.13 1ugg h LEU 164 Cb 0.88 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 1ugg h LEU 164 CO 0.00 0.09 0.61 -0.78 0.09 0.00 0.00 178.44 178.45 1ugg h ASP 165 N 0.22 0.82 -0.24 -0.43 1.82 -1.79 -1.41 116.42 115.41 1ugg h ASP 165 Ca 0.44 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 57.13 1ugg h ASP 165 Cb 1.36 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.26 1ugg h ASP 165 CO -0.10 0.41 0.00 -1.54 -1.61 0.00 0.00 179.24 176.40 1ugg n SER 166 N -4.62 1.40 -2.72 2.28 3.41 0.03 -3.79 113.62 109.61 1ugg n SER 166 Ca 0.19 -1.93 -0.00 0.00 -0.26 0.00 0.00 58.87 56.87 1ugg n SER 166 Cb 0.43 -0.16 0.05 0.00 -0.26 0.00 0.00 64.21 64.26 1ugg n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1ugg n ILE 167 N 0.24 1.20 -0.13 -1.33 -5.35 -0.54 -4.81 119.36 108.64 1ugg n ILE 167 Ca 0.10 -2.80 0.08 0.00 -0.27 0.00 0.00 62.75 59.86 1ugg n ILE 167 Cb 0.23 1.23 0.41 0.00 -1.74 0.00 0.00 39.64 39.77 1ugg n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1ugg h LYS 168 N 2.48 0.61 -6.29 6.28 3.64 -1.63 -3.42 116.57 118.23 1ugg h LYS 168 Ca -0.14 -0.04 -0.58 0.00 -1.27 0.00 0.00 60.65 58.62 1ugg h LYS 168 Cb 1.32 -0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 32.90 1ugg h LYS 168 CO 0.19 0.40 -0.66 0.95 -2.27 0.00 0.00 179.45 178.06 1ugg s THR 169 N -5.57 3.57 0.20 1.00 -4.23 -1.26 -0.09 115.64 109.26 1ugg s THR 169 Ca -0.09 -1.66 -0.32 0.00 -1.18 0.00 0.00 61.69 58.44 1ugg s THR 169 Cb 0.19 -2.84 -0.14 0.00 1.34 0.00 0.00 72.50 71.05 1ugg s THR 169 CO 0.76 -0.23 1.35 1.17 -0.54 0.00 0.00 174.62 177.13 1ugg n LYS 170 N -0.47 1.72 0.00 3.99 4.81 -0.23 -2.49 118.16 125.49 1ugg n LYS 170 Ca -0.08 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1ugg n LYS 170 Cb 0.57 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.39 1ugg n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ugg n GLY 171 N 2.28 3.11 3.74 3.14 0.00 -0.58 -4.36 105.19 112.51 1ugg n GLY 171 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1ugg n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ugg s LYS 172 N -0.65 4.53 0.12 1.61 -0.14 -1.04 -4.91 119.74 119.27 1ugg s LYS 172 Ca 0.00 1.80 0.05 0.00 -1.36 0.00 0.00 55.97 56.45 1ugg s LYS 172 Cb 0.00 -3.27 -0.04 0.00 -1.68 0.00 0.00 37.83 32.84 1ugg s LYS 172 CO 0.00 -0.03 -0.12 -1.12 -0.76 0.00 0.00 175.35 173.32 1ugg s SER 173 N 0.11 1.78 -0.10 2.83 0.01 -1.26 -2.32 113.70 114.74 1ugg s SER 173 Ca 0.52 -0.88 -0.10 0.00 1.31 0.00 0.00 55.95 56.79 1ugg s SER 173 Cb -0.31 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 65.92 1ugg s SER 173 CO 0.35 -0.24 0.29 0.00 0.41 0.00 0.00 173.24 174.05 1ugg s ALA 174 N -2.64 -0.73 0.07 1.44 0.00 -0.24 -4.98 121.76 114.68 1ugg s ALA 174 Ca 0.11 0.79 -0.31 0.00 0.00 0.00 0.00 51.96 52.55 1ugg s ALA 174 Cb -0.02 -0.44 -0.08 0.00 0.00 0.00 0.00 23.12 22.58 1ugg s ALA 174 CO 0.01 -0.15 1.63 -0.51 0.00 0.00 0.00 175.76 176.75 1ugg s ASP 175 N 0.05 6.62 -0.47 0.00 1.01 -1.26 -0.69 116.67 121.92 1ugg s ASP 175 Ca -0.01 2.47 0.04 0.00 0.71 0.00 0.00 52.55 55.76 1ugg s ASP 175 Cb -0.02 -2.56 0.17 0.00 1.01 0.00 0.00 42.92 41.51 1ugg s ASP 175 CO 0.01 -0.87 0.36 0.12 0.21 0.00 0.00 175.17 175.00 1ugg s PHE 176 N 2.56 1.63 0.25 4.23 5.36 -0.12 -4.83 117.98 127.06 1ugg s PHE 176 Ca 0.73 -2.51 0.06 0.00 -0.96 0.00 0.00 56.93 54.24 1ugg s PHE 176 Cb -0.39 -1.33 -0.03 0.00 -0.34 0.00 0.00 43.02 40.92 1ugg s PHE 176 CO 0.32 -0.77 0.31 0.95 -1.46 0.00 0.00 175.22 174.58 1ugg s THR 177 N -0.21 4.91 -1.62 0.12 -4.23 -1.26 -2.98 115.64 110.37 1ugg s THR 177 Ca 0.30 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1ugg s THR 177 Cb -0.00 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.16 1ugg s THR 177 CO -0.17 -0.32 0.00 0.59 -0.54 0.00 0.00 174.62 174.17 1ugg n ASN 178 N -1.35 -5.02 -4.65 3.99 4.13 -1.26 -4.98 115.26 106.12 1ugg n ASN 178 Ca -0.08 0.19 -0.39 0.00 1.68 0.00 0.00 54.58 55.98 1ugg n ASN 178 Cb 0.57 -4.07 -0.08 0.00 -1.54 0.00 0.00 39.78 34.66 1ugg n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1ugg s PHE 179 N -2.75 3.33 -0.49 3.10 5.36 -1.26 -5.03 117.98 120.24 1ugg s PHE 179 Ca 0.00 0.61 -0.18 0.00 -0.96 0.00 0.00 56.93 56.40 1ugg s PHE 179 Cb 0.00 -2.60 0.05 0.00 -0.34 0.00 0.00 43.02 40.13 1ugg s PHE 179 CO 0.00 -0.12 0.57 0.34 -1.46 0.00 0.00 175.22 174.54 1ugg s ASP 180 N 1.28 6.21 0.00 6.13 -1.08 -1.26 -4.46 116.67 123.49 1ugg s ASP 180 Ca 0.20 -0.92 0.00 0.00 -0.52 0.00 0.00 52.55 51.31 1ugg s ASP 180 Cb -0.15 -2.27 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1ugg s ASP 180 CO 0.09 -0.81 0.93 -0.81 0.52 0.00 0.00 175.17 175.09 1ugg n PRO 181 N 5.96 0.00 0.29 4.34 -0.04 -1.26 -2.45 135.00 141.84 1ugg n PRO 181 Ca -0.07 0.43 0.17 0.00 -0.04 0.00 0.00 63.50 63.99 1ugg n PRO 181 Cb 0.45 -1.53 0.88 0.00 -0.04 0.00 0.00 33.50 33.27 1ugg n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ugg h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.29 114.38 114.79 1ugg h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ugg h ARG 182 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1ugg h ARG 182 CO 0.00 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 1ugg n GLY 183 N -0.64 -0.95 0.78 0.04 0.00 -1.02 -2.97 105.19 100.43 1ugg n GLY 183 Ca -0.02 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1ugg n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ugg n LEU 184 N -1.09 2.61 -4.86 0.99 4.77 -0.49 -4.09 117.00 114.84 1ugg n LEU 184 Ca 0.18 -0.90 -0.37 0.00 -0.03 0.00 0.00 56.01 54.89 1ugg n LEU 184 Cb 0.13 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1ugg n LEU 184 CO 0.17 0.45 -0.01 -0.76 -1.33 0.00 0.00 177.39 175.90 1ugg s LEU 185 N -2.18 4.42 1.07 2.23 1.43 -1.16 -4.93 118.68 119.56 1ugg s LEU 185 Ca 0.24 0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 53.92 1ugg s LEU 185 Cb 0.19 -2.44 0.22 0.00 0.03 0.00 0.00 46.19 44.20 1ugg s LEU 185 CO 0.40 0.34 1.13 -2.16 0.23 0.00 0.00 176.35 176.29 1ugg s PRO 186 N -1.20 -0.14 0.12 1.29 0.04 -1.26 -4.95 135.00 128.89 1ugg s PRO 186 Ca 0.22 0.15 -0.15 0.00 0.04 0.00 0.00 61.00 61.26 1ugg s PRO 186 Cb -0.14 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1ugg s PRO 186 CO 0.11 -3.04 1.53 1.49 0.04 0.00 0.00 177.00 177.13 1ugg h GLU 187 N -2.10 0.70 -6.07 4.56 4.81 -1.92 -3.44 114.58 111.12 1ugg h GLU 187 Ca -0.49 -0.26 -0.60 0.00 -0.13 0.00 0.00 59.36 57.88 1ugg h GLU 187 Cb 1.31 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 1ugg h GLU 187 CO 0.47 0.84 -0.35 0.45 -0.73 0.00 0.00 179.01 179.69 1ugg s SER 188 N -6.28 6.48 -0.17 1.04 0.15 -1.26 -5.02 113.70 108.64 1ugg s SER 188 Ca -0.13 0.54 0.16 0.00 0.70 0.00 0.00 55.95 57.23 1ugg s SER 188 Cb 0.10 -2.07 0.52 0.00 -1.71 0.00 0.00 66.02 62.85 1ugg s SER 188 CO 0.80 0.11 1.42 0.18 1.20 0.00 0.00 173.24 176.95 1ugg n LEU 189 N 0.35 3.86 -4.76 3.45 4.77 -1.26 -4.76 117.00 118.65 1ugg n LEU 189 Ca -0.05 -2.94 -0.38 0.00 -0.03 0.00 0.00 56.01 52.61 1ugg n LEU 189 Cb 0.52 -0.52 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1ugg n LEU 189 CO 0.47 0.68 0.94 -1.81 -1.33 0.00 0.00 177.39 176.35 1ugg s ASP 190 N -1.84 5.62 0.17 -1.43 1.01 -1.26 -4.67 116.67 114.27 1ugg s ASP 190 Ca 0.41 2.64 -0.16 0.00 0.71 0.00 0.00 52.55 56.15 1ugg s ASP 190 Cb 0.33 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.65 1ugg s ASP 190 CO 0.10 -1.32 0.44 -0.72 0.21 0.00 0.00 175.17 173.88 1ugg s TYR 191 N -1.36 -0.06 0.17 4.23 -0.85 -1.26 -1.88 117.35 116.34 1ugg s TYR 191 Ca 0.68 -0.28 0.07 0.00 -0.52 0.00 0.00 57.07 57.01 1ugg s TYR 191 Cb -0.37 0.27 -0.04 0.00 0.38 0.00 0.00 41.96 42.20 1ugg s TYR 191 CO 0.45 -0.82 0.03 -1.58 -1.52 0.00 0.00 175.55 172.11 1ugg s TRP 192 N -3.87 2.92 -0.01 -3.49 0.51 -0.09 -1.17 118.94 113.74 1ugg s TRP 192 Ca 0.09 -0.10 -0.09 0.00 -2.12 0.00 0.00 56.10 53.87 1ugg s TRP 192 Cb 0.01 -1.42 0.01 0.00 -0.81 0.00 0.00 33.47 31.26 1ugg s TRP 192 CO -0.05 0.52 0.18 -0.08 -0.51 0.00 0.00 176.95 177.01 1ugg s THR 193 N -1.72 0.07 -0.04 2.01 -1.32 -0.15 -1.41 115.64 113.08 1ugg s THR 193 Ca 0.28 -0.55 -0.29 0.00 -1.21 0.00 0.00 61.69 59.92 1ugg s THR 193 Cb -0.10 -0.45 0.09 0.00 -1.51 0.00 0.00 72.50 70.54 1ugg s THR 193 CO 0.20 -0.30 0.80 -0.72 -2.21 0.00 0.00 174.62 172.38 1ugg s TYR 194 N -1.15 -0.50 0.04 9.09 1.13 -0.92 -2.11 117.35 122.92 1ugg s TYR 194 Ca -0.12 0.70 -0.30 0.00 -1.41 0.00 0.00 57.07 55.94 1ugg s TYR 194 Cb -0.06 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 1ugg s TYR 194 CO 0.02 -0.56 1.01 -1.25 -2.51 0.00 0.00 175.55 172.26 1ugg s PRO 195 N -1.89 4.58 0.00 -3.49 0.04 -1.26 -0.81 135.00 132.17 1ugg s PRO 195 Ca -0.04 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1ugg s PRO 195 Cb -0.00 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1ugg s PRO 195 CO 0.01 -0.00 0.00 0.41 0.04 0.00 0.00 177.00 177.46 1ugg n GLY 196 N 2.74 4.55 3.30 0.56 0.00 0.11 -4.83 105.19 111.61 1ugg n GLY 196 Ca 0.05 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 1ugg n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ugg s SER 197 N 1.47 1.82 0.34 1.61 1.04 -1.08 -2.15 113.70 116.75 1ugg s SER 197 Ca 0.00 -1.78 -0.27 0.00 0.48 0.00 0.00 55.95 54.38 1ugg s SER 197 Cb 0.00 0.57 -0.09 0.00 0.10 0.00 0.00 66.02 66.60 1ugg s SER 197 CO 0.00 -1.07 1.05 -0.76 0.98 0.00 0.00 173.24 173.44 1ugg s LEU 198 N -3.40 4.35 0.00 2.42 1.43 -0.93 -4.52 118.68 118.03 1ugg s LEU 198 Ca 0.40 2.10 0.27 0.00 -1.03 0.00 0.00 54.13 55.87 1ugg s LEU 198 Cb 0.02 -3.92 0.85 0.00 0.03 0.00 0.00 46.19 43.16 1ugg s LEU 198 CO 0.28 -0.28 1.62 0.35 0.23 0.00 0.00 176.35 178.55 1ugg n THR 199 N 0.56 0.00 -4.24 5.49 -2.24 -1.26 -4.39 114.28 108.19 1ugg n THR 199 Ca 0.02 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.41 1ugg n THR 199 Cb 0.48 0.50 -0.12 0.00 -2.10 0.00 0.00 70.33 69.09 1ugg n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ugg s THR 200 N -2.26 1.39 0.57 4.28 -4.23 -1.26 -4.74 115.64 109.38 1ugg s THR 200 Ca 0.30 -1.59 -0.19 0.00 -1.18 0.00 0.00 61.69 59.03 1ugg s THR 200 Cb 0.20 -1.44 -0.07 0.00 1.34 0.00 0.00 72.50 72.52 1ugg s THR 200 CO 0.43 -0.29 0.72 -2.65 -0.54 0.00 0.00 174.62 172.29 1ugg n PRO 201 N 0.81 0.70 0.00 3.99 -0.02 -1.26 -1.06 135.00 138.16 1ugg n PRO 201 Ca -0.18 0.27 0.07 0.00 -2.02 0.00 0.00 63.50 61.64 1ugg n PRO 201 Cb 0.56 -1.89 0.40 0.00 -0.02 0.00 0.00 33.50 32.55 1ugg n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ugg n PRO 202 N -0.38 0.48 -2.28 0.52 -0.04 -1.26 -5.01 135.00 127.03 1ugg n PRO 202 Ca 0.12 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.39 1ugg n PRO 202 Cb 0.47 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1ugg n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ugg n LEU 203 N -0.94 -1.76 -4.76 1.53 4.77 -0.22 -4.91 117.00 110.71 1ugg n LEU 203 Ca 0.10 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.76 1ugg n LEU 203 Cb 0.05 -2.80 -0.01 0.00 -2.33 0.00 0.00 43.42 38.32 1ugg n LEU 203 CO 0.08 -0.33 1.18 -0.76 -1.33 0.00 0.00 177.39 176.23 1ugg s LEU 204 N -5.76 4.35 -1.44 2.23 1.43 -1.26 -4.39 118.68 113.85 1ugg s LEU 204 Ca 0.00 2.90 -0.08 0.00 -1.03 0.00 0.00 54.13 55.92 1ugg s LEU 204 Cb 0.00 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.63 1ugg s LEU 204 CO 0.00 -0.85 2.50 -0.62 0.23 0.00 0.00 176.35 177.61 1ugg n GLU 205 N 1.81 3.96 -0.15 1.70 1.02 -1.26 -2.20 120.64 125.53 1ugg n GLU 205 Ca 0.06 -2.94 0.07 0.00 -0.02 0.00 0.00 57.16 54.33 1ugg n GLU 205 Cb 0.39 -2.80 0.14 0.00 -0.02 0.00 0.00 31.44 29.14 1ugg n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ugg s VAL 207 N -2.32 3.28 -0.30 0.00 1.01 -0.91 -1.02 120.40 120.14 1ugg s VAL 207 Ca 0.27 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 1ugg s VAL 207 Cb 0.22 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1ugg s VAL 207 CO 0.05 0.57 0.18 -0.89 0.00 0.00 0.00 175.10 175.00 1ugg s THR 208 N -0.35 5.01 -0.05 3.92 2.01 -0.50 0.05 115.64 125.73 1ugg s THR 208 Ca 0.04 -0.09 -0.17 0.00 0.31 0.00 0.00 61.69 61.78 1ugg s THR 208 Cb -0.12 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 1ugg s THR 208 CO 0.02 0.17 0.45 0.26 -0.69 0.00 0.00 174.62 174.83 1ugg s TRP 209 N 1.70 3.64 -0.27 4.92 0.52 0.01 -2.36 118.94 127.09 1ugg s TRP 209 Ca 0.06 0.97 0.01 0.00 0.02 0.00 0.00 56.10 57.16 1ugg s TRP 209 Cb -0.16 -2.43 0.08 0.00 -1.15 0.00 0.00 33.47 29.81 1ugg s TRP 209 CO 0.09 0.42 0.02 0.42 0.02 0.00 0.00 176.95 177.92 1ugg s ILE 210 N -0.30 1.41 -0.22 2.03 1.01 -0.79 -2.17 121.20 122.16 1ugg s ILE 210 Ca 0.25 -1.44 -0.07 0.00 0.00 0.00 0.00 60.65 59.38 1ugg s ILE 210 Cb -0.16 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1ugg s ILE 210 CO 0.12 -0.38 0.06 -0.69 0.00 0.00 0.00 174.94 174.06 1ugg s VAL 211 N 1.40 4.48 0.24 2.92 1.01 -0.50 -0.28 120.40 129.66 1ugg s VAL 211 Ca 0.02 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1ugg s VAL 211 Cb -0.18 -3.06 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 1ugg s VAL 211 CO -0.12 0.38 1.09 -0.76 0.00 0.00 0.00 175.10 175.69 1ugg s LEU 212 N 1.12 4.53 0.13 3.92 1.43 -0.59 -0.91 118.68 128.31 1ugg s LEU 212 Ca 0.04 2.18 -0.12 0.00 -1.03 0.00 0.00 54.13 55.20 1ugg s LEU 212 Cb -0.14 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 1ugg s LEU 212 CO 0.03 -0.15 1.47 0.50 0.23 0.00 0.00 176.35 178.42 1ugg h LYS 213 N 4.36 0.90 -5.55 1.70 3.64 -1.72 -3.43 116.57 116.46 1ugg h LYS 213 Ca -0.46 -0.47 -0.62 0.00 -1.27 0.00 0.00 60.65 57.84 1ugg h LYS 213 Cb 1.21 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.93 1ugg h LYS 213 CO 0.69 1.12 0.20 -2.00 -2.27 0.00 0.00 179.45 177.19 1ugg s GLU 214 N -4.40 3.92 0.72 1.90 2.12 -1.26 -5.04 118.70 116.66 1ugg s GLU 214 Ca -0.11 0.37 -0.11 0.00 0.36 0.00 0.00 54.97 55.47 1ugg s GLU 214 Cb 0.11 -3.72 0.02 0.00 0.26 0.00 0.00 34.13 30.80 1ugg s GLU 214 CO 0.87 -0.58 1.09 -1.25 -0.54 0.00 0.00 175.26 174.85 1ugg s PRO 215 N 2.67 2.74 -0.02 4.30 0.04 -1.26 -4.73 135.00 138.74 1ugg s PRO 215 Ca 0.27 0.53 -0.03 0.00 0.04 0.00 0.00 61.00 61.81 1ugg s PRO 215 Cb -0.15 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1ugg s PRO 215 CO 0.12 -1.13 0.17 0.96 0.04 0.00 0.00 177.00 177.15 1ugg s ILE 216 N -3.30 5.40 0.05 0.56 -4.36 0.09 -4.86 121.20 114.77 1ugg s ILE 216 Ca 0.59 -0.13 -0.14 0.00 -0.26 0.00 0.00 60.65 60.71 1ugg s ILE 216 Cb -0.12 -3.50 -0.06 0.00 1.25 0.00 0.00 42.46 40.04 1ugg s ILE 216 CO 0.53 0.37 0.45 -0.44 0.24 0.00 0.00 174.94 176.08 1ugg s SER 217 N -1.80 6.81 0.02 4.36 0.01 -1.26 -1.18 113.70 120.66 1ugg s SER 217 Ca 0.25 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.50 1ugg s SER 217 Cb -0.12 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 1ugg s SER 217 CO 0.16 0.26 -0.03 0.68 0.41 0.00 0.00 173.24 174.72 1ugg s VAL 218 N -1.20 0.14 0.35 3.43 -7.23 0.02 -3.45 120.40 112.45 1ugg s VAL 218 Ca 0.28 -0.93 -0.18 0.00 -1.81 0.00 0.00 61.98 59.34 1ugg s VAL 218 Cb -0.16 -0.30 -0.10 0.00 0.56 0.00 0.00 36.38 36.38 1ugg s VAL 218 CO 0.16 -0.50 0.82 -0.94 -0.31 0.00 0.00 175.10 174.33 1ugg s SER 219 N -1.49 6.89 0.53 4.85 1.04 -1.10 0.34 113.70 124.76 1ugg s SER 219 Ca -0.15 1.46 0.25 0.00 0.48 0.00 0.00 55.95 57.99 1ugg s SER 219 Cb -0.10 -2.44 1.39 0.00 0.10 0.00 0.00 66.02 64.97 1ugg s SER 219 CO -0.01 -0.23 1.98 0.77 0.98 0.00 0.00 173.24 176.74 1ugg h SER 220 N 2.30 0.02 -0.33 7.02 4.64 -1.92 0.51 113.55 125.78 1ugg h SER 220 Ca -0.48 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.87 1ugg h SER 220 Cb 1.18 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 1ugg h SER 220 CO 0.64 0.01 0.14 -0.08 -0.87 0.00 0.00 176.83 176.67 1ugg h GLU 221 N 0.02 0.30 -0.42 4.77 4.81 -1.95 0.11 114.58 122.22 1ugg h GLU 221 Ca 0.27 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1ugg h GLU 221 Cb 1.06 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1ugg h GLU 221 CO -0.01 0.20 -0.02 1.96 -0.73 0.00 0.00 179.01 180.40 1ugg h GLN 222 N 0.31 0.75 -0.40 1.92 4.20 -0.38 -3.09 115.11 118.41 1ugg h GLN 222 Ca 0.14 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 1ugg h GLN 222 Cb 0.08 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1ugg h GLN 222 CO -0.12 0.84 0.04 0.28 -0.67 0.00 0.00 178.83 179.20 1ugg h VAL 223 N 0.58 1.21 -0.90 -0.54 2.07 -0.94 -2.93 116.25 114.80 1ugg h VAL 223 Ca 0.11 -0.80 0.12 0.00 0.82 0.00 0.00 66.70 66.96 1ugg h VAL 223 Cb 0.52 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 1ugg h VAL 223 CO 0.03 0.28 0.53 0.25 0.02 0.00 0.00 177.57 178.68 1ugg h LEU 224 N 0.60 0.74 -1.90 2.57 5.85 -0.70 -2.01 115.31 120.46 1ugg h LEU 224 Ca 0.13 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1ugg h LEU 224 Cb 0.32 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1ugg h LEU 224 CO 0.01 0.38 -0.09 0.11 -0.34 0.00 0.00 178.44 178.50 1ugg h LYS 225 N 0.83 0.00 -0.71 1.25 1.57 -1.57 -2.23 116.57 115.70 1ugg h LYS 225 Ca 0.46 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.19 1ugg h LYS 225 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1ugg h LYS 225 CO -0.29 0.09 0.24 0.74 -0.57 0.00 0.00 179.45 179.67 1ugg h PHE 226 N 0.00 1.13 0.00 -1.35 0.04 -1.49 -2.80 116.94 112.47 1ugg h PHE 226 Ca -0.00 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1ugg h PHE 226 Cb 0.18 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.00 1ugg h PHE 226 CO 0.00 0.89 0.00 0.54 -0.60 0.00 0.00 178.31 179.14 1ugg n ARG 227 N -4.31 0.31 0.00 1.51 1.74 -0.84 -2.36 116.66 112.71 1ugg n ARG 227 Ca 0.05 0.02 0.12 0.00 -0.77 0.00 0.00 57.85 57.27 1ugg n ARG 227 Cb 0.21 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.31 1ugg n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ugg n LYS 228 N -1.02 2.07 -1.70 5.56 5.02 -1.06 -4.66 118.16 122.37 1ugg n LYS 228 Ca 0.08 -1.65 -0.31 0.00 -2.02 0.00 0.00 58.31 54.41 1ugg n LYS 228 Cb 0.04 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1ugg n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ugg s LEU 229 N -2.07 2.99 0.09 -0.35 1.43 -1.00 -4.91 118.68 114.87 1ugg s LEU 229 Ca 0.28 1.41 0.08 0.00 -1.03 0.00 0.00 54.13 54.87 1ugg s LEU 229 Cb 0.20 -4.25 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 1ugg s LEU 229 CO 0.34 -1.40 -0.21 0.20 0.23 0.00 0.00 176.35 175.51 1ugg s ASN 230 N -4.03 2.60 0.12 2.29 0.01 0.88 -0.46 114.94 116.35 1ugg s ASN 230 Ca 0.58 -0.65 -0.05 0.00 -0.71 0.00 0.00 52.86 52.03 1ugg s ASN 230 Cb -0.13 -0.16 -0.11 0.00 0.41 0.00 0.00 41.25 41.26 1ugg s ASN 230 CO 0.54 0.09 1.29 -0.26 -1.51 0.00 0.00 177.10 177.25 1ugg h PHE 231 N 4.24 0.61 -4.33 2.20 0.04 -0.68 -3.32 116.94 115.70 1ugg h PHE 231 Ca -0.46 -0.34 -0.51 0.00 2.80 0.00 0.00 57.97 59.46 1ugg h PHE 231 Cb 1.17 -0.07 0.09 0.00 2.20 0.00 0.00 35.95 39.35 1ugg h PHE 231 CO 0.59 1.17 0.38 0.54 -0.60 0.00 0.00 178.31 180.38 1ugg s ASN 232 N -7.09 5.54 0.86 2.17 4.22 -1.25 -4.40 114.94 114.97 1ugg s ASN 232 Ca -0.06 1.60 -0.11 0.00 -2.14 0.00 0.00 52.86 52.15 1ugg s ASN 232 Cb 0.09 -2.49 0.15 0.00 1.28 0.00 0.00 41.25 40.28 1ugg s ASN 232 CO 0.87 -1.34 1.19 -0.83 -2.04 0.00 0.00 177.10 174.95 1ugg s GLY 233 N -3.80 1.75 0.18 0.45 0.00 -1.26 -1.07 107.32 103.56 1ugg s GLY 233 Ca 0.58 -1.23 -0.30 0.00 0.00 0.00 0.00 44.72 43.76 1ugg s GLY 233 CO 0.54 -0.58 1.33 1.85 0.00 0.00 0.00 173.10 176.23 1ugg s GLU 234 N -5.60 4.37 -0.31 2.90 2.12 -1.26 -3.74 118.70 117.17 1ugg s GLU 234 Ca 0.69 2.06 -0.01 0.00 0.36 0.00 0.00 54.97 58.07 1ugg s GLU 234 Cb -0.06 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 1ugg s GLU 234 CO 0.50 -0.29 0.28 0.41 -0.54 0.00 0.00 175.26 175.61 1ugg n GLY 235 N 2.57 -0.02 3.79 -1.50 0.00 -1.26 -5.08 105.19 103.69 1ugg n GLY 235 Ca 0.07 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1ugg n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ugg s GLU 236 N -3.32 1.39 -0.12 1.61 2.02 -1.25 -5.11 118.70 113.93 1ugg s GLU 236 Ca 0.11 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 54.01 1ugg s GLU 236 Cb -0.01 0.46 -0.08 0.00 0.10 0.00 0.00 34.13 34.60 1ugg s GLU 236 CO 0.24 -0.64 2.10 -2.30 0.02 0.00 0.00 175.26 174.68 1ugg n PRO 237 N -0.49 2.25 -1.94 0.39 -0.02 -1.26 -4.87 135.00 129.06 1ugg n PRO 237 Ca -0.05 0.73 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 1ugg n PRO 237 Cb 0.60 -3.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.01 1ugg n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1ugg s GLU 238 N 5.45 3.63 -0.17 -0.52 2.12 -1.26 -4.67 118.70 123.28 1ugg s GLU 238 Ca 0.97 1.81 -0.01 0.00 0.36 0.00 0.00 54.97 58.10 1ugg s GLU 238 Cb -0.44 -4.15 0.05 0.00 0.26 0.00 0.00 34.13 29.84 1ugg s GLU 238 CO 0.40 -1.51 -0.03 -1.83 -0.54 0.00 0.00 175.26 171.75 1ugg s GLU 239 N 5.15 1.17 0.21 4.30 -1.05 -1.26 -5.05 118.70 122.18 1ugg s GLU 239 Ca 0.81 -0.45 -0.32 0.00 -0.15 0.00 0.00 54.97 54.85 1ugg s GLU 239 Cb -0.28 -1.95 -0.14 0.00 -0.44 0.00 0.00 34.13 31.32 1ugg s GLU 239 CO 0.33 -0.47 1.43 1.28 0.95 0.00 0.00 175.26 178.78 1ugg n LEU 240 N 4.93 2.97 -4.52 1.83 4.77 -1.26 -0.00 117.00 125.72 1ugg n LEU 240 Ca -0.11 1.13 -0.42 0.00 -0.03 0.00 0.00 56.01 56.58 1ugg n LEU 240 Cb 0.48 -1.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 1ugg n LEU 240 CO 0.15 -0.50 1.13 -0.32 -1.33 0.00 0.00 177.39 176.52 1ugg s MET 241 N -0.07 3.33 -0.02 3.23 -2.45 0.40 -4.62 119.30 119.09 1ugg s MET 241 Ca 0.71 -0.80 -0.12 0.00 -1.25 0.00 0.00 55.69 54.24 1ugg s MET 241 Cb -0.68 -4.60 0.02 0.00 1.25 0.00 0.00 34.83 30.82 1ugg s MET 241 CO 0.47 -2.04 0.25 0.14 1.05 0.00 0.00 175.02 174.89 1ugg s VAL 242 N 4.77 0.06 -1.21 10.11 -7.23 -1.26 -4.55 120.40 121.08 1ugg s VAL 242 Ca 0.35 -0.46 -0.04 0.00 -1.81 0.00 0.00 61.98 60.02 1ugg s VAL 242 Cb -0.08 -0.52 0.00 0.00 0.56 0.00 0.00 36.38 36.35 1ugg s VAL 242 CO 0.04 -0.25 1.03 0.47 -0.31 0.00 0.00 175.10 176.08 1ugg n ASP 243 N 1.63 -3.90 -2.44 4.85 8.00 -0.31 -4.81 116.55 119.57 1ugg n ASP 243 Ca -0.20 -0.56 -0.28 0.00 0.71 0.00 0.00 54.79 54.46 1ugg n ASP 243 Cb 0.56 -4.87 -0.00 0.00 -0.02 0.00 0.00 41.12 36.79 1ugg n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ugg n ASN 244 N -2.93 6.83 -4.30 -2.24 6.94 -1.09 -4.91 115.26 113.55 1ugg n ASN 244 Ca -0.15 -3.37 -0.27 0.00 -0.02 0.00 0.00 54.58 50.77 1ugg n ASN 244 Cb 0.61 -1.14 -0.14 0.00 -2.36 0.00 0.00 39.78 36.76 1ugg n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1ugg s TRP 245 N -2.45 2.00 -0.08 -2.53 1.48 -1.26 -4.67 118.94 111.43 1ugg s TRP 245 Ca 0.53 -0.39 -0.12 0.00 -1.06 0.00 0.00 56.10 55.06 1ugg s TRP 245 Cb 0.38 -1.15 -0.05 0.00 -1.16 0.00 0.00 33.47 31.50 1ugg s TRP 245 CO -0.19 0.17 0.28 0.50 -4.06 0.00 0.00 176.95 173.65 1ugg s ARG 246 N -1.54 3.83 0.81 3.25 3.52 -1.26 -4.97 118.95 122.59 1ugg s ARG 246 Ca 0.09 0.14 -0.11 0.00 -0.13 0.00 0.00 55.73 55.72 1ugg s ARG 246 Cb -0.10 -3.26 0.07 0.00 -1.56 0.00 0.00 34.95 30.11 1ugg s ARG 246 CO 0.03 0.61 1.09 -2.14 -0.81 0.00 0.00 175.30 174.09 1ugg s PRO 247 N -0.68 2.01 0.28 5.12 0.02 -1.26 -4.64 135.00 135.85 1ugg s PRO 247 Ca 0.19 0.69 -0.30 0.00 0.02 0.00 0.00 61.00 61.59 1ugg s PRO 247 Cb -0.14 -1.91 -0.13 0.00 0.02 0.00 0.00 34.50 32.35 1ugg s PRO 247 CO 0.08 -1.68 1.47 0.00 -0.33 0.00 0.00 177.00 176.54 1ugg n ALA 248 N -3.48 1.74 -2.74 -1.55 0.00 -1.26 -4.32 120.51 108.89 1ugg n ALA 248 Ca 0.07 0.39 -0.22 0.00 0.00 0.00 0.00 53.44 53.68 1ugg n ALA 248 Cb 0.56 -2.35 -0.04 0.00 0.00 0.00 0.00 19.45 17.61 1ugg n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ugg s GLN 249 N -0.65 2.83 0.30 0.00 -1.52 0.14 -4.95 119.66 115.82 1ugg s GLN 249 Ca 0.65 -1.14 -0.30 0.00 -1.95 0.00 0.00 55.36 52.62 1ugg s GLN 249 Cb -0.58 -2.51 -0.12 0.00 -0.22 0.00 0.00 33.01 29.58 1ugg s GLN 249 CO 0.51 0.33 1.55 -2.30 -0.25 0.00 0.00 175.29 175.13 1ugg n PRO 250 N -1.21 2.61 0.23 2.91 -0.02 -1.26 -4.61 135.00 133.65 1ugg n PRO 250 Ca -0.06 0.92 0.12 0.00 -2.02 0.00 0.00 63.50 62.46 1ugg n PRO 250 Cb 0.58 -2.68 0.50 0.00 -0.02 0.00 0.00 33.50 31.88 1ugg n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ugg h LEU 251 N 4.41 0.00 0.00 2.45 5.85 -1.93 -3.44 115.31 122.65 1ugg h LEU 251 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1ugg h LEU 251 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1ugg h LEU 251 CO 0.76 0.16 0.00 0.29 -0.34 0.00 0.00 178.44 179.32 1ugg n LYS 252 N -3.31 0.00 -0.40 1.25 4.76 -1.26 -2.22 118.16 116.98 1ugg n LYS 252 Ca 0.00 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.48 1ugg n LYS 252 Cb 0.41 0.00 0.19 0.00 -1.84 0.00 0.00 35.03 33.78 1ugg n LYS 252 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1ugg n ASN 253 N 3.59 3.12 -4.89 4.39 4.13 -1.26 -4.93 115.26 119.41 1ugg n ASN 253 Ca 0.00 -2.41 -0.30 0.00 1.68 0.00 0.00 54.58 53.55 1ugg n ASN 253 Cb 0.00 -0.57 -0.04 0.00 -1.54 0.00 0.00 39.78 37.63 1ugg n ASN 253 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1ugg s ARG 254 N -1.80 3.72 -0.07 3.52 0.52 -0.94 -5.09 118.95 118.80 1ugg s ARG 254 Ca 0.25 0.16 0.05 0.00 -0.52 0.00 0.00 55.73 55.67 1ugg s ARG 254 Cb 0.19 -2.63 -0.01 0.00 0.52 0.00 0.00 34.95 33.02 1ugg s ARG 254 CO 0.08 0.24 -0.22 1.14 0.02 0.00 0.00 175.30 176.56 1ugg s GLN 255 N -3.24 2.70 -0.17 3.54 -2.07 -1.26 -5.02 119.66 114.14 1ugg s GLN 255 Ca 0.46 -0.85 -0.13 0.00 -1.82 0.00 0.00 55.36 53.02 1ugg s GLN 255 Cb -0.11 -2.27 -0.05 0.00 -1.09 0.00 0.00 33.01 29.50 1ugg s GLN 255 CO 0.26 0.37 0.27 0.42 -1.32 0.00 0.00 175.29 175.29 1ugg s ILE 256 N -0.13 5.32 0.07 3.63 1.01 -1.26 -4.78 121.20 125.07 1ugg s ILE 256 Ca -0.04 0.50 0.02 0.00 0.00 0.00 0.00 60.65 61.13 1ugg s ILE 256 Cb -0.14 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1ugg s ILE 256 CO 0.04 0.40 0.12 -0.54 0.00 0.00 0.00 174.94 174.96 1ugg s LYS 257 N 0.45 3.07 -0.04 2.79 -0.14 -0.90 -0.84 119.74 124.14 1ugg s LYS 257 Ca 0.15 -0.60 0.06 0.00 -1.36 0.00 0.00 55.97 54.22 1ugg s LYS 257 Cb -0.13 -2.83 -0.02 0.00 -1.68 0.00 0.00 37.83 33.17 1ugg s LYS 257 CO 0.03 0.58 -0.22 0.00 -0.76 0.00 0.00 175.35 174.98 1ugg s ALA 258 N -1.43 2.31 -0.54 5.17 0.00 0.18 -0.97 121.76 126.48 1ugg s ALA 258 Ca 0.31 -1.07 0.24 0.00 0.00 0.00 0.00 51.96 51.44 1ugg s ALA 258 Cb -0.12 -0.69 0.41 0.00 0.00 0.00 0.00 23.12 22.71 1ugg s ALA 258 CO 0.24 0.52 1.48 0.66 0.00 0.00 0.00 175.76 178.66 1ugg h SER 259 N 5.55 0.00 -3.73 0.00 4.64 -1.42 0.92 113.55 119.51 1ugg h SER 259 Ca -0.42 -0.05 -0.68 0.00 -0.47 0.00 0.00 61.79 60.17 1ugg h SER 259 Cb 1.14 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.04 1ugg h SER 259 CO 0.48 0.03 -0.73 0.72 -0.87 0.00 0.00 176.83 176.46 1ugg s PHE 260 N -3.20 2.80 -1.55 4.77 -0.71 -1.26 -4.87 117.98 113.97 1ugg s PHE 260 Ca 0.06 -0.09 0.00 0.00 -1.04 0.00 0.00 56.93 55.86 1ugg s PHE 260 Cb 0.10 -1.59 0.00 0.00 -1.21 0.00 0.00 43.02 40.32 1ugg s PHE 260 CO 0.68 0.32 0.39 1.17 -1.34 0.00 0.00 175.22 176.44